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 3d28_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.584 174.600 -0.026 0.000 1.055 1 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 2 M N 3.173 122.749 119.600 -0.040 0.000 2.219 2 M HA 0.264 4.744 4.480 0.000 0.000 0.353 2 M C 1.908 178.116 176.300 -0.154 0.000 1.304 2 M CA 0.037 55.301 55.300 -0.060 0.000 1.115 2 M CB 0.639 33.218 32.600 -0.035 0.000 1.664 2 M HN 1.058 nan 8.290 nan 0.000 0.459 3 S N 3.361 118.913 115.700 -0.248 0.000 2.370 3 S HA -0.110 4.360 4.470 0.000 0.000 0.226 3 S C 0.202 174.431 174.600 -0.618 0.000 1.033 3 S CA 1.019 58.960 58.200 -0.432 0.000 1.011 3 S CB -0.195 62.670 63.200 -0.559 0.000 0.852 3 S HN 0.633 nan 8.310 nan 0.000 0.457 4 Y N 0.244 120.358 120.300 -0.310 0.000 2.442 4 Y HA 0.558 5.108 4.550 0.000 0.000 0.344 4 Y C -0.232 175.327 175.900 -0.567 0.000 0.976 4 Y CA -0.869 56.903 58.100 -0.547 0.000 1.040 4 Y CB 2.290 40.273 38.460 -0.795 0.000 1.228 4 Y HN -0.118 nan 8.280 nan 0.000 0.451 5 T N 2.998 117.295 114.554 -0.428 0.000 2.786 5 T HA 0.314 4.664 4.350 0.000 0.000 0.283 5 T C -1.220 173.273 174.700 -0.345 0.000 0.992 5 T CA -0.665 61.267 62.100 -0.280 0.000 0.954 5 T CB 0.193 68.998 68.868 -0.105 0.000 0.934 5 T HN 0.424 nan 8.240 nan 0.000 0.440 6 W N 2.135 123.490 121.300 0.091 0.000 2.433 6 W HA 0.349 5.009 4.660 0.000 0.000 0.315 6 W C 1.695 178.243 176.519 0.048 0.000 1.087 6 W CA -0.916 56.468 57.345 0.065 0.000 1.205 6 W CB 0.912 30.395 29.460 0.037 0.000 1.288 6 W HN 0.752 nan 8.180 nan 0.000 0.504 7 T N -1.436 113.289 114.554 0.284 0.000 2.896 7 T HA 0.232 4.582 4.350 0.000 0.000 0.263 7 T C 1.484 176.271 174.700 0.144 0.000 1.050 7 T CA 1.252 63.452 62.100 0.168 0.000 1.140 7 T CB -0.126 68.819 68.868 0.128 0.000 0.877 7 T HN 0.985 nan 8.240 nan 0.000 0.457 8 G N 0.970 109.865 108.800 0.158 0.000 2.624 8 G HA2 0.175 4.135 3.960 0.000 0.000 0.190 8 G HA3 0.175 4.135 3.960 0.000 0.000 0.190 8 G C 0.329 175.258 174.900 0.048 0.000 1.008 8 G CA -0.116 45.035 45.100 0.084 0.000 0.731 8 G HN 0.981 nan 8.290 nan 0.000 0.478 9 A N 1.172 124.033 122.820 0.069 0.000 2.498 9 A HA 0.631 4.951 4.320 0.000 0.000 0.239 9 A C 0.715 178.309 177.584 0.016 0.000 1.068 9 A CA 0.272 52.336 52.037 0.043 0.000 0.766 9 A CB 0.116 19.151 19.000 0.058 0.000 1.003 9 A HN 0.800 nan 8.150 nan 0.000 0.497 10 L N 2.021 123.237 121.223 -0.010 0.000 2.418 10 L HA 0.312 4.652 4.340 0.000 0.000 0.265 10 L C 0.072 176.921 176.870 -0.034 0.000 1.143 10 L CA -0.362 54.450 54.840 -0.046 0.000 0.809 10 L CB 0.704 42.738 42.059 -0.041 0.000 1.124 10 L HN 0.554 nan 8.230 nan 0.000 0.456 11 I N 1.480 122.010 120.570 -0.067 0.000 2.396 11 I HA 0.114 4.284 4.170 0.000 0.000 0.289 11 I C 0.436 176.543 176.117 -0.018 0.000 1.056 11 I CA 0.018 61.295 61.300 -0.038 0.000 1.365 11 I CB 0.791 38.751 38.000 -0.067 0.000 1.407 11 I HN 0.651 nan 8.210 nan 0.000 0.509 12 T N 4.773 119.329 114.554 0.003 0.000 2.888 12 T HA 0.605 4.956 4.350 0.000 0.000 0.284 12 T C -2.528 172.189 174.700 0.028 0.000 1.017 12 T CA -2.118 59.989 62.100 0.012 0.000 1.022 12 T CB 1.914 70.789 68.868 0.011 0.000 1.013 12 T HN 0.254 nan 8.240 nan 0.000 0.465 13 P HA 0.302 nan 4.420 nan 0.000 0.276 13 P C 0.371 177.698 177.300 0.046 0.000 1.252 13 P CA -0.705 62.421 63.100 0.044 0.000 0.802 13 P CB 1.203 32.929 31.700 0.043 0.000 1.035 14 C N 1.402 120.735 119.300 0.056 0.000 2.823 14 C HA 0.462 4.922 4.460 0.000 0.000 0.284 14 C C 1.242 176.257 174.990 0.043 0.000 1.358 14 C CA 0.977 60.025 59.018 0.051 0.000 1.697 14 C CB -0.933 26.845 27.740 0.064 0.000 2.137 14 C HN 0.675 nan 8.230 nan 0.000 0.564 15 A N 0.883 123.731 122.820 0.047 0.000 2.306 15 A HA 0.708 5.028 4.320 0.000 0.000 0.314 15 A C 0.231 177.847 177.584 0.053 0.000 1.164 15 A CA 0.320 52.385 52.037 0.046 0.000 0.822 15 A CB 0.304 19.333 19.000 0.047 0.000 1.130 15 A HN 1.265 nan 8.150 nan 0.000 0.496 16 A N 1.885 124.736 122.820 0.052 0.000 2.609 16 A HA 0.289 4.609 4.320 0.000 0.000 0.232 16 A C 0.263 177.893 177.584 0.077 0.000 1.041 16 A CA 0.661 52.733 52.037 0.058 0.000 0.753 16 A CB -0.271 18.762 19.000 0.054 0.000 0.966 16 A HN 0.797 nan 8.150 nan 0.000 0.510 17 E N 1.019 121.269 120.200 0.083 0.000 2.191 17 E HA 0.388 4.738 4.350 0.000 0.000 0.274 17 E C -0.774 175.912 176.600 0.145 0.000 0.948 17 E CA -0.470 55.994 56.400 0.107 0.000 0.802 17 E CB 1.534 31.285 29.700 0.085 0.000 1.137 17 E HN 0.731 nan 8.360 nan 0.000 0.397 18 E N 0.958 121.292 120.200 0.224 0.000 2.166 18 E HA 0.142 4.492 4.350 0.000 0.000 0.275 18 E C 0.064 176.906 176.600 0.402 0.000 0.941 18 E CA -0.193 56.392 56.400 0.309 0.000 0.784 18 E CB 1.595 31.527 29.700 0.386 0.000 1.115 18 E HN 0.568 nan 8.360 nan 0.000 0.399 19 S N 2.664 118.562 115.700 0.330 0.000 2.506 19 S HA 0.108 4.578 4.470 0.000 0.000 0.230 19 S C 0.733 175.599 174.600 0.444 0.000 1.066 19 S CA -0.036 58.365 58.200 0.335 0.000 0.940 19 S CB 0.296 63.623 63.200 0.213 0.000 0.818 19 S HN 0.172 nan 8.310 nan 0.000 0.518 20 K N 1.848 122.443 120.400 0.324 0.000 2.185 20 K HA 0.353 4.673 4.320 0.000 0.000 0.271 20 K C -0.521 176.155 176.600 0.127 0.000 1.013 20 K CA -0.725 55.709 56.287 0.245 0.000 0.943 20 K CB 1.148 33.723 32.500 0.125 0.000 0.998 20 K HN 0.320 nan 8.250 nan 0.000 0.468 21 L N 4.705 125.983 121.223 0.092 0.000 2.534 21 L HA 0.096 4.436 4.340 0.000 0.000 0.271 21 L C -2.270 174.357 176.870 -0.405 0.000 1.178 21 L CA -0.863 53.827 54.840 -0.249 0.000 0.907 21 L CB -0.147 41.930 42.059 0.029 0.000 1.164 21 L HN 0.366 nan 8.230 nan 0.000 0.482 22 P HA 0.239 nan 4.420 nan 0.000 0.271 22 P C -1.014 176.064 177.300 -0.370 0.000 1.216 22 P CA -0.084 62.734 63.100 -0.470 0.000 0.776 22 P CB 0.605 31.974 31.700 -0.552 0.000 0.881 23 I N 3.065 123.472 120.570 -0.271 0.000 2.474 23 I HA 0.374 4.544 4.170 0.000 0.000 0.294 23 I C 0.457 176.466 176.117 -0.180 0.000 1.005 23 I CA -0.707 60.430 61.300 -0.271 0.000 1.113 23 I CB 1.464 39.285 38.000 -0.298 0.000 1.289 23 I HN 0.470 nan 8.210 nan 0.000 0.436 24 N N 4.100 122.707 118.700 -0.155 0.000 3.201 24 N HA 0.450 5.190 4.740 0.000 0.000 0.344 24 N C 0.306 175.770 175.510 -0.077 0.000 1.465 24 N CA -0.597 52.393 53.050 -0.099 0.000 0.731 24 N CB 0.631 39.068 38.487 -0.083 0.000 1.677 24 N HN 0.411 nan 8.380 nan 0.000 0.631 25 A N -0.820 121.967 122.820 -0.055 0.000 2.239 25 A HA 0.202 4.522 4.320 0.000 0.000 0.209 25 A C 1.441 179.002 177.584 -0.039 0.000 1.171 25 A CA 0.581 52.592 52.037 -0.042 0.000 0.768 25 A CB -0.952 18.026 19.000 -0.037 0.000 0.790 25 A HN 0.535 nan 8.150 nan 0.000 0.478 26 L N -2.068 119.129 121.223 -0.042 0.000 2.537 26 L HA 0.063 4.403 4.340 0.000 0.000 0.224 26 L C 2.404 179.293 176.870 0.031 0.000 1.065 26 L CA 0.542 55.371 54.840 -0.019 0.000 0.860 26 L CB -0.162 41.864 42.059 -0.055 0.000 1.086 26 L HN 0.169 nan 8.230 nan 0.000 0.482 27 S N 0.723 116.411 115.700 -0.019 0.000 2.387 27 S HA -0.177 4.293 4.470 0.000 0.000 0.230 27 S C 1.714 176.343 174.600 0.050 0.000 1.035 27 S CA 1.627 59.806 58.200 -0.036 0.000 1.014 27 S CB -0.306 62.776 63.200 -0.197 0.000 0.836 27 S HN 0.407 nan 8.310 nan 0.000 0.466 28 N N 1.286 120.024 118.700 0.064 0.000 2.331 28 N HA -0.027 4.713 4.740 0.000 0.000 0.180 28 N C 1.826 177.369 175.510 0.055 0.000 1.019 28 N CA 1.157 54.277 53.050 0.116 0.000 0.881 28 N CB -0.372 38.164 38.487 0.082 0.000 0.972 28 N HN 0.552 nan 8.380 nan 0.000 0.435 29 S N -0.770 114.954 115.700 0.039 0.000 2.515 29 S HA -0.023 4.447 4.470 0.000 0.000 0.231 29 S C 1.625 176.261 174.600 0.060 0.000 0.987 29 S CA 0.395 58.594 58.200 -0.002 0.000 0.936 29 S CB 0.018 63.219 63.200 0.002 0.000 0.766 29 S HN 0.269 nan 8.310 nan 0.000 0.528 30 L N -0.583 120.724 121.223 0.139 0.000 2.600 30 L HA 0.629 4.969 4.340 0.000 0.000 0.213 30 L C -0.155 176.811 176.870 0.159 0.000 1.045 30 L CA 0.440 55.406 54.840 0.211 0.000 0.863 30 L CB 0.582 42.603 42.059 -0.063 0.000 1.189 30 L HN 0.433 nan 8.230 nan 0.000 0.484 31 L N -0.671 120.619 121.223 0.111 0.000 2.543 31 L HA 0.442 4.782 4.340 0.000 0.000 0.265 31 L C 0.332 177.249 176.870 0.080 0.000 0.945 31 L CA -0.521 54.373 54.840 0.088 0.000 0.869 31 L CB 1.411 43.548 42.059 0.129 0.000 1.294 31 L HN -0.081 nan 8.230 nan 0.000 0.405 32 R N 1.243 121.644 120.500 -0.164 0.000 2.087 32 R HA 0.132 4.472 4.340 0.000 0.000 0.216 32 R C 0.073 176.013 176.300 -0.600 0.000 1.114 32 R CA 0.703 56.584 56.100 -0.364 0.000 1.002 32 R CB -0.166 29.904 30.300 -0.383 0.000 0.903 32 R HN 0.669 nan 8.270 nan 0.000 0.445 33 H N 1.121 120.053 119.070 -0.230 0.000 3.198 33 H HA 0.078 4.634 4.556 0.000 0.000 0.255 33 H C 0.534 175.816 175.328 -0.077 0.000 1.729 33 H CA -0.195 55.749 56.048 -0.172 0.000 1.495 33 H CB -0.271 29.462 29.762 -0.049 0.000 1.807 33 H HN 0.379 nan 8.280 nan 0.000 0.554 34 H N 0.674 119.828 119.070 0.140 0.000 2.524 34 H HA -0.112 4.444 4.556 0.000 0.000 0.282 34 H C 1.517 176.919 175.328 0.124 0.000 1.016 34 H CA 0.490 56.601 56.048 0.106 0.000 1.270 34 H CB 0.305 30.103 29.762 0.060 0.000 1.394 34 H HN 0.658 nan 8.280 nan 0.000 0.568 35 N N 0.755 119.567 118.700 0.187 0.000 2.571 35 N HA -0.098 4.642 4.740 0.000 0.000 0.189 35 N C 1.112 176.720 175.510 0.164 0.000 1.154 35 N CA 0.647 53.787 53.050 0.150 0.000 0.907 35 N CB 0.096 38.634 38.487 0.086 0.000 0.977 35 N HN 0.380 nan 8.380 nan 0.000 0.449 36 M N 0.434 120.148 119.600 0.190 0.000 2.466 36 M HA 0.160 4.640 4.480 0.000 0.000 0.265 36 M C 0.343 176.801 176.300 0.263 0.000 1.122 36 M CA 0.250 55.669 55.300 0.200 0.000 1.157 36 M CB 0.009 32.716 32.600 0.177 0.000 1.352 36 M HN -0.169 nan 8.290 nan 0.000 0.464 37 V N 1.980 122.052 119.914 0.264 0.000 2.407 37 V HA 0.244 4.364 4.120 0.000 0.000 0.278 37 V C -0.573 175.742 176.094 0.368 0.000 1.037 37 V CA -0.694 61.761 62.300 0.258 0.000 0.900 37 V CB 0.379 32.350 31.823 0.247 0.000 0.983 37 V HN 0.390 nan 8.190 nan 0.000 0.459 38 Y N 2.905 123.355 120.300 0.250 0.000 2.638 38 Y HA 0.946 5.496 4.550 0.000 0.000 0.339 38 Y C -0.287 175.694 175.900 0.135 0.000 1.084 38 Y CA -1.417 56.836 58.100 0.254 0.000 1.068 38 Y CB 1.629 40.197 38.460 0.181 0.000 1.294 38 Y HN 0.664 nan 8.280 nan 0.000 0.480 39 A N 0.881 123.810 122.820 0.182 0.000 2.356 39 A HA 0.710 5.030 4.320 0.000 0.000 0.323 39 A C -0.434 177.258 177.584 0.180 0.000 1.119 39 A CA -0.472 51.462 52.037 -0.173 0.000 0.790 39 A CB 0.701 19.311 19.000 -0.651 0.000 1.273 39 A HN 1.015 nan 8.150 nan 0.000 0.452 40 T N -0.070 114.548 114.554 0.107 0.000 2.856 40 T HA 0.582 4.932 4.350 0.000 0.000 0.292 40 T C 0.358 175.110 174.700 0.087 0.000 0.980 40 T CA 0.223 62.438 62.100 0.191 0.000 1.091 40 T CB 0.759 69.767 68.868 0.233 0.000 0.936 40 T HN 1.188 nan 8.240 nan 0.000 0.503 41 T N -1.275 113.335 114.554 0.093 0.000 2.883 41 T HA 0.483 4.833 4.350 0.000 0.000 0.284 41 T C 1.484 176.212 174.700 0.047 0.000 1.041 41 T CA -0.219 61.919 62.100 0.064 0.000 1.007 41 T CB 1.219 70.130 68.868 0.072 0.000 1.220 41 T HN 0.687 nan 8.240 nan 0.000 0.552 42 S N -0.553 115.168 115.700 0.035 0.000 2.515 42 S HA -0.022 4.448 4.470 0.000 0.000 0.231 42 S C 1.876 176.475 174.600 -0.002 0.000 0.987 42 S CA 0.105 58.313 58.200 0.014 0.000 0.936 42 S CB -0.521 62.688 63.200 0.014 0.000 0.766 42 S HN 0.602 nan 8.310 nan 0.000 0.528 43 R N 2.246 122.751 120.500 0.010 0.000 2.189 43 R HA 0.068 4.408 4.340 0.000 0.000 0.223 43 R C 2.218 178.510 176.300 -0.014 0.000 1.092 43 R CA 1.337 57.436 56.100 -0.001 0.000 0.989 43 R CB -0.696 29.612 30.300 0.013 0.000 0.876 43 R HN 0.694 nan 8.270 nan 0.000 0.457 44 S N -1.966 113.731 115.700 -0.005 0.000 2.540 44 S HA 0.271 4.741 4.470 0.000 0.000 0.218 44 S C 1.718 176.299 174.600 -0.032 0.000 0.977 44 S CA 0.143 58.335 58.200 -0.014 0.000 0.918 44 S CB 0.705 63.910 63.200 0.009 0.000 0.806 44 S HN 0.213 nan 8.310 nan 0.000 0.496 45 A N 1.928 124.720 122.820 -0.046 0.000 2.019 45 A HA 0.232 4.552 4.320 0.000 0.000 0.219 45 A C 2.199 179.687 177.584 -0.161 0.000 1.164 45 A CA 1.362 53.349 52.037 -0.084 0.000 0.644 45 A CB -1.511 17.440 19.000 -0.083 0.000 0.805 45 A HN 0.630 nan 8.150 nan 0.000 0.449 46 G N -0.083 108.622 108.800 -0.158 0.000 2.418 46 G HA2 -0.116 3.845 3.960 0.000 0.000 0.217 46 G HA3 -0.116 3.845 3.960 0.000 0.000 0.217 46 G C 1.375 176.178 174.900 -0.162 0.000 1.158 46 G CA 1.170 46.148 45.100 -0.202 0.000 0.771 46 G HN 0.402 nan 8.290 nan 0.000 0.545 47 L N 0.091 121.256 121.223 -0.097 0.000 2.083 47 L HA 0.077 4.417 4.340 0.000 0.000 0.209 47 L C 2.734 179.576 176.870 -0.046 0.000 1.083 47 L CA 1.398 56.203 54.840 -0.059 0.000 0.752 47 L CB -0.432 41.606 42.059 -0.035 0.000 0.899 47 L HN 0.129 nan 8.230 nan 0.000 0.433 48 R N -0.321 120.146 120.500 -0.055 0.000 2.090 48 R HA -0.104 4.236 4.340 0.000 0.000 0.228 48 R C 2.227 178.488 176.300 -0.064 0.000 1.110 48 R CA 1.291 57.373 56.100 -0.030 0.000 0.973 48 R CB -0.324 29.966 30.300 -0.017 0.000 0.869 48 R HN 0.396 nan 8.270 nan 0.000 0.440 49 Q N 0.234 119.915 119.800 -0.198 0.000 2.096 49 Q HA -0.238 4.102 4.340 0.000 0.000 0.208 49 Q C 1.960 177.907 176.000 -0.088 0.000 0.993 49 Q CA 2.298 57.899 55.803 -0.336 0.000 0.862 49 Q CB -0.134 28.110 28.738 -0.823 0.000 0.915 49 Q HN 0.341 nan 8.270 nan 0.000 0.416 50 K N 0.620 120.979 120.400 -0.068 0.000 2.009 50 K HA -0.196 4.125 4.320 0.000 0.000 0.210 50 K C 2.102 178.780 176.600 0.129 0.000 1.049 50 K CA 1.428 57.740 56.287 0.040 0.000 0.929 50 K CB -0.090 32.418 32.500 0.014 0.000 0.714 50 K HN -0.013 nan 8.250 nan 0.000 0.440 51 K N 0.492 120.959 120.400 0.111 0.000 2.020 51 K HA -0.166 4.154 4.320 0.000 0.000 0.212 51 K C 1.926 178.713 176.600 0.311 0.000 1.050 51 K CA 1.848 58.243 56.287 0.180 0.000 0.929 51 K CB -0.270 32.308 32.500 0.129 0.000 0.714 51 K HN 0.167 nan 8.250 nan 0.000 0.443 52 V N -1.993 118.062 119.914 0.235 0.000 3.380 52 V HA 0.029 4.149 4.120 0.000 0.000 0.268 52 V C 0.323 176.476 176.094 0.097 0.000 1.168 52 V CA 0.597 63.037 62.300 0.233 0.000 1.156 52 V CB -0.303 31.623 31.823 0.171 0.000 0.785 52 V HN 0.027 nan 8.190 nan 0.000 0.487 53 T N 4.144 118.823 114.554 0.208 0.000 2.753 53 T HA 0.712 5.062 4.350 0.000 0.000 0.297 53 T C -0.743 174.065 174.700 0.180 0.000 0.981 53 T CA -0.051 62.158 62.100 0.182 0.000 0.956 53 T CB 0.186 69.307 68.868 0.422 0.000 0.936 53 T HN 0.613 nan 8.240 nan 0.000 0.463 54 F N -0.108 119.940 119.950 0.163 0.000 2.773 54 F HA 0.616 5.143 4.527 0.000 0.000 0.314 54 F C -1.026 174.810 175.800 0.060 0.000 1.160 54 F CA -1.677 56.382 58.000 0.099 0.000 0.920 54 F CB 0.808 39.858 39.000 0.084 0.000 1.323 54 F HN 0.207 nan 8.300 nan 0.000 0.457 55 D N 1.069 121.662 120.400 0.322 0.000 2.348 55 D HA 0.392 5.032 4.640 0.000 0.000 0.253 55 D C -0.809 175.644 176.300 0.256 0.000 1.161 55 D CA 0.059 54.174 54.000 0.192 0.000 0.876 55 D CB 0.794 41.665 40.800 0.119 0.000 1.160 55 D HN 0.540 nan 8.370 nan 0.000 0.459 56 R N 2.781 123.381 120.500 0.167 0.000 2.346 56 R HA 0.592 4.932 4.340 0.000 0.000 0.311 56 R C -0.771 175.567 176.300 0.063 0.000 0.983 56 R CA -0.478 55.710 56.100 0.146 0.000 0.880 56 R CB 1.120 31.488 30.300 0.114 0.000 1.100 56 R HN 0.416 nan 8.270 nan 0.000 0.453 57 L N 2.255 123.504 121.223 0.043 0.000 2.362 57 L HA 0.513 4.853 4.340 0.000 0.000 0.275 57 L C -0.510 176.354 176.870 -0.009 0.000 0.998 57 L CA -0.715 54.130 54.840 0.009 0.000 0.820 57 L CB 2.159 44.219 42.059 0.001 0.000 1.270 57 L HN 0.460 nan 8.230 nan 0.000 0.415 58 Q N 2.054 121.838 119.800 -0.026 0.000 2.321 58 Q HA 0.630 4.970 4.340 0.000 0.000 0.270 58 Q C -1.701 174.260 176.000 -0.065 0.000 1.032 58 Q CA -0.534 55.242 55.803 -0.044 0.000 0.784 58 Q CB 2.957 31.663 28.738 -0.054 0.000 1.264 58 Q HN 0.424 nan 8.270 nan 0.000 0.448 59 V N 5.414 125.283 119.914 -0.076 0.000 2.443 59 V HA 0.467 4.587 4.120 0.000 0.000 0.293 59 V C -0.758 175.292 176.094 -0.073 0.000 1.021 59 V CA -0.586 61.664 62.300 -0.083 0.000 0.848 59 V CB 1.509 33.276 31.823 -0.093 0.000 0.998 59 V HN 0.694 nan 8.190 nan 0.000 0.424 60 L N 5.416 126.588 121.223 -0.086 0.000 2.341 60 L HA 0.683 5.023 4.340 0.000 0.000 0.278 60 L C -0.452 176.439 176.870 0.035 0.000 1.005 60 L CA -0.596 54.186 54.840 -0.097 0.000 0.818 60 L CB 1.983 43.801 42.059 -0.401 0.000 1.259 60 L HN 0.713 nan 8.230 nan 0.000 0.418 61 D N 0.018 120.523 120.400 0.176 0.000 2.616 61 D HA 0.165 4.805 4.640 0.000 0.000 0.260 61 D C 0.252 176.644 176.300 0.154 0.000 1.158 61 D CA -0.617 53.462 54.000 0.131 0.000 1.085 61 D CB 0.783 41.646 40.800 0.105 0.000 1.222 61 D HN 0.330 nan 8.370 nan 0.000 0.626 62 D N -1.226 119.202 120.400 0.048 0.000 2.144 62 D HA -0.160 4.481 4.640 0.000 0.000 0.199 62 D C 1.693 178.027 176.300 0.057 0.000 0.984 62 D CA 1.110 55.115 54.000 0.010 0.000 0.834 62 D CB -0.061 40.685 40.800 -0.089 0.000 0.955 62 D HN 0.394 nan 8.370 nan 0.000 0.465 63 H N -0.272 118.866 119.070 0.113 0.000 2.352 63 H HA -0.165 4.391 4.556 0.000 0.000 0.299 63 H C 1.966 177.336 175.328 0.069 0.000 1.097 63 H CA 0.969 57.073 56.048 0.094 0.000 1.311 63 H CB -0.618 29.224 29.762 0.133 0.000 1.377 63 H HN 0.350 nan 8.280 nan 0.000 0.504 64 Y N 1.616 121.985 120.300 0.115 0.000 2.145 64 Y HA -0.183 4.367 4.550 0.000 0.000 0.286 64 Y C 2.656 178.522 175.900 -0.057 0.000 1.145 64 Y CA 1.558 59.611 58.100 -0.079 0.000 1.148 64 Y CB -0.065 38.329 38.460 -0.109 0.000 0.981 64 Y HN -0.055 nan 8.280 nan 0.000 0.507 65 R N 0.068 120.620 120.500 0.086 0.000 2.115 65 R HA -0.128 4.213 4.340 0.000 0.000 0.230 65 R C 1.662 177.929 176.300 -0.055 0.000 1.111 65 R CA 1.343 57.439 56.100 -0.007 0.000 0.976 65 R CB -0.223 30.127 30.300 0.082 0.000 0.870 65 R HN 0.422 nan 8.270 nan 0.000 0.445 66 D N 0.041 120.434 120.400 -0.012 0.000 2.097 66 D HA -0.114 4.526 4.640 0.000 0.000 0.197 66 D C 1.961 178.236 176.300 -0.042 0.000 0.984 66 D CA 1.027 55.024 54.000 -0.006 0.000 0.826 66 D CB -0.230 40.599 40.800 0.048 0.000 0.973 66 D HN -0.016 nan 8.370 nan 0.000 0.460 67 V N 1.235 121.100 119.914 -0.083 0.000 2.343 67 V HA -0.206 3.915 4.120 0.000 0.000 0.247 67 V C 2.472 178.483 176.094 -0.137 0.000 1.051 67 V CA 1.038 63.267 62.300 -0.118 0.000 1.036 67 V CB -0.490 31.221 31.823 -0.187 0.000 0.654 67 V HN 0.129 nan 8.190 nan 0.000 0.451 68 L N 0.698 121.781 121.223 -0.233 0.000 2.012 68 L HA -0.207 4.133 4.340 0.000 0.000 0.210 68 L C 2.440 179.241 176.870 -0.115 0.000 1.073 68 L CA 2.397 57.103 54.840 -0.223 0.000 0.748 68 L CB -0.872 40.984 42.059 -0.338 0.000 0.891 68 L HN 0.310 nan 8.230 nan 0.000 0.431 69 K N -0.509 119.839 120.400 -0.086 0.000 2.063 69 K HA -0.237 4.083 4.320 0.000 0.000 0.208 69 K C 1.982 178.563 176.600 -0.031 0.000 1.048 69 K CA 1.985 58.245 56.287 -0.046 0.000 0.928 69 K CB -0.180 32.303 32.500 -0.029 0.000 0.713 69 K HN 0.520 nan 8.250 nan 0.000 0.442 70 E N 0.114 120.299 120.200 -0.026 0.000 2.058 70 E HA -0.215 4.135 4.350 0.000 0.000 0.194 70 E C 2.107 178.707 176.600 0.000 0.000 0.997 70 E CA 1.858 58.256 56.400 -0.004 0.000 0.801 70 E CB -0.086 29.620 29.700 0.011 0.000 0.746 70 E HN 0.377 nan 8.360 nan 0.000 0.450 71 M N 0.407 120.004 119.600 -0.005 0.000 2.117 71 M HA -0.167 4.313 4.480 0.000 0.000 0.262 71 M C 2.181 178.461 176.300 -0.033 0.000 1.065 71 M CA 1.378 56.674 55.300 -0.007 0.000 1.114 71 M CB -0.100 32.496 32.600 -0.006 0.000 1.361 71 M HN -0.056 nan 8.290 nan 0.000 0.408 72 K N 0.274 120.649 120.400 -0.041 0.000 2.057 72 K HA -0.102 4.218 4.320 0.000 0.000 0.207 72 K C 2.100 178.686 176.600 -0.023 0.000 1.049 72 K CA 1.447 57.712 56.287 -0.037 0.000 0.931 72 K CB -0.247 32.230 32.500 -0.039 0.000 0.714 72 K HN 0.302 nan 8.250 nan 0.000 0.440 73 A N 1.574 124.383 122.820 -0.018 0.000 1.933 73 A HA -0.201 4.119 4.320 0.000 0.000 0.218 73 A C 1.947 179.524 177.584 -0.012 0.000 1.175 73 A CA 1.588 53.618 52.037 -0.012 0.000 0.628 73 A CB -0.249 18.747 19.000 -0.007 0.000 0.814 73 A HN 0.171 nan 8.150 nan 0.000 0.444 74 K N -0.483 119.907 120.400 -0.017 0.000 2.062 74 K HA 0.054 4.374 4.320 0.000 0.000 0.205 74 K C 2.225 178.807 176.600 -0.030 0.000 1.051 74 K CA 0.994 57.267 56.287 -0.024 0.000 0.941 74 K CB -0.284 32.197 32.500 -0.032 0.000 0.719 74 K HN 0.415 nan 8.250 nan 0.000 0.440 75 A N 1.036 123.837 122.820 -0.031 0.000 1.978 75 A HA -0.169 4.151 4.320 0.000 0.000 0.220 75 A C 1.957 179.535 177.584 -0.009 0.000 1.170 75 A CA 2.023 54.046 52.037 -0.023 0.000 0.636 75 A CB -0.702 18.285 19.000 -0.021 0.000 0.810 75 A HN 0.403 nan 8.150 nan 0.000 0.448 76 S N -0.431 115.264 115.700 -0.008 0.000 2.595 76 S HA -0.075 4.395 4.470 0.000 0.000 0.235 76 S C 1.418 176.017 174.600 -0.002 0.000 0.974 76 S CA 1.535 59.734 58.200 -0.002 0.000 0.942 76 S CB -0.916 62.282 63.200 -0.003 0.000 0.766 76 S HN 0.777 nan 8.310 nan 0.000 0.536 77 T N -1.722 112.828 114.554 -0.007 0.000 2.990 77 T HA 0.340 4.690 4.350 0.000 0.000 0.250 77 T C 0.422 175.117 174.700 -0.008 0.000 1.041 77 T CA -0.173 61.923 62.100 -0.007 0.000 1.010 77 T CB -0.279 68.582 68.868 -0.011 0.000 1.003 77 T HN 0.164 nan 8.240 nan 0.000 0.499 78 V N 2.180 122.089 119.914 -0.009 0.000 2.614 78 V HA 0.380 4.500 4.120 0.000 0.000 0.291 78 V C 0.108 176.202 176.094 0.000 0.000 1.049 78 V CA -0.644 61.650 62.300 -0.010 0.000 1.038 78 V CB 1.069 32.882 31.823 -0.017 0.000 0.980 78 V HN 0.400 nan 8.190 nan 0.000 0.481 79 K N 3.249 123.649 120.400 0.001 0.000 2.323 79 K HA 0.756 5.076 4.320 0.000 0.000 0.259 79 K C -0.779 175.826 176.600 0.009 0.000 0.947 79 K CA -0.450 55.842 56.287 0.008 0.000 0.819 79 K CB 1.594 34.099 32.500 0.009 0.000 1.109 79 K HN 0.855 nan 8.250 nan 0.000 0.429 80 A N 3.954 126.784 122.820 0.016 0.000 2.386 80 A HA 0.507 4.827 4.320 0.000 0.000 0.311 80 A C -1.217 176.385 177.584 0.030 0.000 1.068 80 A CA -0.945 51.103 52.037 0.018 0.000 0.743 80 A CB 0.953 19.960 19.000 0.012 0.000 1.258 80 A HN 0.849 nan 8.150 nan 0.000 0.429 81 K N 1.617 122.037 120.400 0.034 0.000 2.139 81 K HA 0.772 5.092 4.320 0.000 0.000 0.243 81 K C -1.143 175.482 176.600 0.043 0.000 0.983 81 K CA -0.633 55.675 56.287 0.035 0.000 0.890 81 K CB 1.025 33.541 32.500 0.028 0.000 1.090 81 K HN 0.457 nan 8.250 nan 0.000 0.445 82 L N 2.600 123.843 121.223 0.034 0.000 2.331 82 L HA 0.244 4.584 4.340 0.000 0.000 0.278 82 L C -0.053 176.795 176.870 -0.037 0.000 1.106 82 L CA -0.741 54.107 54.840 0.012 0.000 0.824 82 L CB 0.525 42.589 42.059 0.008 0.000 1.142 82 L HN 0.482 nan 8.230 nan 0.000 0.443 83 L N 2.414 123.602 121.223 -0.059 0.000 2.439 83 L HA 0.178 4.518 4.340 0.000 0.000 0.269 83 L C 0.853 177.610 176.870 -0.189 0.000 1.179 83 L CA -0.226 54.553 54.840 -0.102 0.000 0.828 83 L CB 1.095 43.086 42.059 -0.112 0.000 1.106 83 L HN 0.770 nan 8.230 nan 0.000 0.467 84 S N 1.372 116.972 115.700 -0.167 0.000 2.600 84 S HA 0.143 4.613 4.470 0.000 0.000 0.265 84 S C 1.219 175.671 174.600 -0.246 0.000 1.325 84 S CA -0.966 57.116 58.200 -0.197 0.000 1.002 84 S CB 1.378 64.500 63.200 -0.129 0.000 0.921 84 S HN 0.344 nan 8.310 nan 0.000 0.554 85 V N 1.758 121.503 119.914 -0.282 0.000 2.252 85 V HA -0.223 3.897 4.120 0.000 0.000 0.249 85 V C 2.654 178.622 176.094 -0.211 0.000 1.056 85 V CA 2.544 64.662 62.300 -0.304 0.000 1.022 85 V CB -1.437 30.182 31.823 -0.340 0.000 0.641 85 V HN 0.893 nan 8.190 nan 0.000 0.445 86 E N 0.059 120.164 120.200 -0.157 0.000 2.058 86 E HA -0.245 4.105 4.350 0.000 0.000 0.194 86 E C 2.170 178.688 176.600 -0.136 0.000 0.997 86 E CA 1.679 58.003 56.400 -0.126 0.000 0.801 86 E CB -0.307 29.338 29.700 -0.092 0.000 0.746 86 E HN 0.684 nan 8.360 nan 0.000 0.450 87 E N 0.039 120.152 120.200 -0.145 0.000 2.051 87 E HA -0.174 4.176 4.350 0.000 0.000 0.192 87 E C 2.028 178.499 176.600 -0.216 0.000 0.991 87 E CA 1.132 57.436 56.400 -0.160 0.000 0.799 87 E CB -0.181 29.433 29.700 -0.144 0.000 0.748 87 E HN 0.305 nan 8.360 nan 0.000 0.449 88 A N 0.236 122.921 122.820 -0.225 0.000 1.969 88 A HA -0.180 4.140 4.320 0.000 0.000 0.218 88 A C 2.316 179.774 177.584 -0.210 0.000 1.169 88 A CA 1.049 52.941 52.037 -0.241 0.000 0.635 88 A CB -0.687 18.185 19.000 -0.215 0.000 0.810 88 A HN 0.376 nan 8.150 nan 0.000 0.445 89 C N -0.323 118.868 119.300 -0.181 0.000 2.446 89 C HA -0.018 4.442 4.460 0.000 0.000 0.277 89 C C 2.517 177.415 174.990 -0.154 0.000 1.275 89 C CA 1.112 60.039 59.018 -0.153 0.000 1.727 89 C CB -0.598 27.061 27.740 -0.135 0.000 2.010 89 C HN 0.494 nan 8.230 nan 0.000 0.486 90 K N 1.127 121.437 120.400 -0.149 0.000 2.283 90 K HA 0.075 4.395 4.320 0.000 0.000 0.202 90 K C 1.435 177.956 176.600 -0.132 0.000 1.048 90 K CA 0.848 57.063 56.287 -0.121 0.000 0.948 90 K CB -0.535 31.909 32.500 -0.093 0.000 0.742 90 K HN 0.522 nan 8.250 nan 0.000 0.458 91 L N 1.057 122.150 121.223 -0.218 0.000 2.591 91 L HA 0.024 4.364 4.340 0.000 0.000 0.228 91 L C 0.264 176.986 176.870 -0.246 0.000 1.133 91 L CA 0.142 54.807 54.840 -0.292 0.000 0.880 91 L CB -0.255 41.507 42.059 -0.495 0.000 1.033 91 L HN -0.094 nan 8.230 nan 0.000 0.450 92 T N 1.681 116.101 114.554 -0.222 0.000 2.794 92 T HA 0.225 4.575 4.350 0.000 0.000 0.296 92 T C -2.313 172.153 174.700 -0.390 0.000 0.949 92 T CA -1.148 60.803 62.100 -0.250 0.000 1.101 92 T CB 1.060 69.810 68.868 -0.198 0.000 0.905 92 T HN -0.139 nan 8.240 nan 0.000 0.516 93 P HA 0.156 nan 4.420 nan 0.000 0.268 93 P C -1.926 174.892 177.300 -0.802 0.000 1.205 93 P CA -1.429 61.156 63.100 -0.857 0.000 0.771 93 P CB 0.211 31.335 31.700 -0.961 0.000 0.858 94 P HA -0.165 nan 4.420 nan 0.000 0.219 94 P C 0.730 177.867 177.300 -0.272 0.000 1.146 94 P CA 1.627 64.475 63.100 -0.420 0.000 0.808 94 P CB -0.447 31.071 31.700 -0.303 0.000 0.779 95 H N -3.765 115.192 119.070 -0.188 0.000 2.539 95 H HA 0.340 4.896 4.556 0.000 0.000 0.269 95 H C 0.755 176.012 175.328 -0.118 0.000 0.980 95 H CA -0.406 55.570 56.048 -0.120 0.000 1.152 95 H CB -0.684 29.024 29.762 -0.090 0.000 1.407 95 H HN -0.119 nan 8.280 nan 0.000 0.564 96 S N 0.871 116.357 115.700 -0.356 0.000 2.560 96 S HA 0.354 4.824 4.470 0.000 0.000 0.284 96 S C 0.763 175.281 174.600 -0.138 0.000 1.327 96 S CA -0.305 57.748 58.200 -0.246 0.000 1.055 96 S CB -0.088 62.945 63.200 -0.279 0.000 0.868 96 S HN 0.708 nan 8.310 nan 0.000 0.506 97 A N 4.975 127.710 122.820 -0.141 0.000 2.567 97 A HA 0.215 4.536 4.320 0.000 0.000 0.240 97 A C 0.676 178.231 177.584 -0.048 0.000 1.053 97 A CA -0.114 51.867 52.037 -0.092 0.000 0.755 97 A CB -0.191 18.723 19.000 -0.143 0.000 0.978 97 A HN 0.900 nan 8.150 nan 0.000 0.507 98 K N 2.179 122.558 120.400 -0.035 0.000 2.397 98 K HA 0.211 4.531 4.320 0.000 0.000 0.265 98 K C 0.332 176.876 176.600 -0.093 0.000 0.982 98 K CA 0.239 56.488 56.287 -0.063 0.000 0.931 98 K CB 0.288 32.757 32.500 -0.052 0.000 0.943 98 K HN 0.464 nan 8.250 nan 0.000 0.501 99 S N 0.309 115.861 115.700 -0.247 0.000 2.580 99 S HA 0.069 4.540 4.470 0.000 0.000 0.274 99 S C 0.543 175.026 174.600 -0.194 0.000 1.329 99 S CA -0.574 57.451 58.200 -0.291 0.000 1.036 99 S CB 0.652 63.330 63.200 -0.870 0.000 0.919 99 S HN 0.656 nan 8.310 nan 0.000 0.515 100 K N 2.487 122.809 120.400 -0.129 0.000 2.555 100 K HA 0.050 4.370 4.320 0.000 0.000 0.193 100 K C -0.223 176.056 176.600 -0.535 0.000 1.032 100 K CA 0.792 56.890 56.287 -0.314 0.000 1.004 100 K CB -0.071 32.193 32.500 -0.392 0.000 0.804 100 K HN 0.610 nan 8.250 nan 0.000 0.496 101 F N -0.200 119.585 119.950 -0.276 0.000 2.735 101 F HA 0.243 4.770 4.527 0.000 0.000 0.304 101 F C 1.017 176.701 175.800 -0.193 0.000 1.119 101 F CA -0.355 57.473 58.000 -0.287 0.000 1.280 101 F CB 1.320 39.978 39.000 -0.570 0.000 0.994 101 F HN 0.058 nan 8.300 nan 0.000 0.520 102 G N 0.416 109.181 108.800 -0.059 0.000 2.130 102 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 102 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 102 G C -0.343 174.634 174.900 0.127 0.000 0.999 102 G CA 0.126 45.242 45.100 0.025 0.000 0.686 102 G HN 0.509 nan 8.290 nan 0.000 0.515 103 Y N -2.278 118.032 120.300 0.016 0.000 2.689 103 Y HA 0.841 5.391 4.550 0.000 0.000 0.333 103 Y C 0.392 176.302 175.900 0.016 0.000 1.190 103 Y CA -1.147 56.961 58.100 0.014 0.000 1.063 103 Y CB 0.717 39.188 38.460 0.019 0.000 1.294 103 Y HN 0.712 nan 8.280 nan 0.000 0.466 104 G N -0.651 108.279 108.800 0.216 0.000 2.818 104 G HA2 0.531 4.491 3.960 0.000 0.000 0.286 104 G HA3 0.531 4.491 3.960 0.000 0.000 0.286 104 G C 0.025 174.995 174.900 0.117 0.000 1.364 104 G CA -0.760 44.389 45.100 0.082 0.000 0.938 104 G HN 1.172 nan 8.290 nan 0.000 0.490 105 A N -0.307 122.519 122.820 0.011 0.000 1.933 105 A HA -0.021 4.299 4.320 0.000 0.000 0.218 105 A C 2.180 179.727 177.584 -0.061 0.000 1.175 105 A CA 2.287 54.297 52.037 -0.046 0.000 0.628 105 A CB -0.412 18.503 19.000 -0.143 0.000 0.814 105 A HN 0.543 nan 8.150 nan 0.000 0.444 106 K N 0.230 120.603 120.400 -0.046 0.000 2.032 106 K HA -0.154 4.166 4.320 0.000 0.000 0.209 106 K C 1.567 178.149 176.600 -0.030 0.000 1.048 106 K CA 1.840 58.097 56.287 -0.050 0.000 0.927 106 K CB -0.190 32.292 32.500 -0.031 0.000 0.712 106 K HN 0.525 nan 8.250 nan 0.000 0.441 107 D N -0.310 120.098 120.400 0.013 0.000 2.097 107 D HA -0.157 4.483 4.640 0.000 0.000 0.195 107 D C 1.943 178.222 176.300 -0.035 0.000 0.989 107 D CA 1.308 55.313 54.000 0.008 0.000 0.827 107 D CB -0.270 40.572 40.800 0.070 0.000 0.966 107 D HN 0.010 nan 8.370 nan 0.000 0.456 108 V N 1.583 121.493 119.914 -0.007 0.000 2.332 108 V HA -0.247 3.873 4.120 0.000 0.000 0.248 108 V C 2.544 178.589 176.094 -0.082 0.000 1.055 108 V CA 1.611 63.881 62.300 -0.049 0.000 1.038 108 V CB -0.395 31.433 31.823 0.009 0.000 0.651 108 V HN 0.153 nan 8.190 nan 0.000 0.450 109 R N 0.225 120.672 120.500 -0.090 0.000 2.092 109 R HA -0.103 4.237 4.340 0.000 0.000 0.231 109 R C 1.921 178.174 176.300 -0.080 0.000 1.119 109 R CA 1.447 57.485 56.100 -0.104 0.000 0.970 109 R CB -0.442 29.777 30.300 -0.135 0.000 0.864 109 R HN 0.494 nan 8.270 nan 0.000 0.440 110 N N 0.839 119.499 118.700 -0.067 0.000 2.515 110 N HA 0.015 4.755 4.740 0.000 0.000 0.185 110 N C 0.531 176.006 175.510 -0.058 0.000 1.109 110 N CA 0.434 53.452 53.050 -0.054 0.000 0.903 110 N CB 0.081 38.543 38.487 -0.042 0.000 0.969 110 N HN 0.170 nan 8.380 nan 0.000 0.450 111 L N 0.188 121.367 121.223 -0.073 0.000 4.232 111 L HA -0.240 4.100 4.340 0.000 0.000 0.415 111 L C 0.014 176.836 176.870 -0.080 0.000 1.168 111 L CA 0.049 54.840 54.840 -0.080 0.000 0.966 111 L CB -2.479 39.540 42.059 -0.067 0.000 2.052 111 L HN 0.179 nan 8.230 nan 0.000 0.887 112 S N -0.821 114.828 115.700 -0.084 0.000 2.558 112 S HA 0.130 4.601 4.470 0.000 0.000 0.287 112 S C 1.507 176.048 174.600 -0.098 0.000 1.321 112 S CA 0.038 58.190 58.200 -0.079 0.000 1.048 112 S CB 1.553 64.710 63.200 -0.072 0.000 0.844 112 S HN 0.479 nan 8.310 nan 0.000 0.512 113 S N 2.236 117.894 115.700 -0.069 0.000 2.370 113 S HA -0.203 4.267 4.470 0.000 0.000 0.226 113 S C 1.746 176.299 174.600 -0.079 0.000 1.033 113 S CA 1.043 59.208 58.200 -0.060 0.000 1.011 113 S CB -0.561 62.616 63.200 -0.038 0.000 0.852 113 S HN 0.754 nan 8.310 nan 0.000 0.457 114 K N 1.834 122.180 120.400 -0.089 0.000 2.057 114 K HA -0.004 4.316 4.320 0.000 0.000 0.207 114 K C 2.345 178.782 176.600 -0.272 0.000 1.049 114 K CA 1.462 57.690 56.287 -0.098 0.000 0.931 114 K CB -0.800 31.675 32.500 -0.041 0.000 0.714 114 K HN 0.488 nan 8.250 nan 0.000 0.440 115 A N 0.537 123.067 122.820 -0.483 0.000 1.872 115 A HA -0.076 4.244 4.320 0.000 0.000 0.214 115 A C 2.364 179.643 177.584 -0.508 0.000 1.187 115 A CA 1.389 52.815 52.037 -1.018 0.000 0.614 115 A CB -0.561 17.965 19.000 -0.790 0.000 0.826 115 A HN 0.129 nan 8.150 nan 0.000 0.442 116 V N 1.030 120.793 119.914 -0.252 0.000 2.343 116 V HA -0.279 3.841 4.120 0.000 0.000 0.247 116 V C 2.298 178.401 176.094 0.015 0.000 1.051 116 V CA 2.108 64.342 62.300 -0.111 0.000 1.036 116 V CB -1.009 30.788 31.823 -0.044 0.000 0.654 116 V HN 0.595 nan 8.190 nan 0.000 0.451 117 N N -0.851 117.857 118.700 0.013 0.000 2.084 117 N HA -0.240 4.500 4.740 0.000 0.000 0.190 117 N C 1.967 177.533 175.510 0.093 0.000 1.030 117 N CA 1.644 54.737 53.050 0.072 0.000 0.849 117 N CB -0.278 38.226 38.487 0.029 0.000 1.012 117 N HN 0.644 nan 8.380 nan 0.000 0.423 118 H N 1.081 120.123 119.070 -0.047 0.000 2.387 118 H HA -0.041 4.515 4.556 0.000 0.000 0.299 118 H C 2.165 177.488 175.328 -0.009 0.000 1.090 118 H CA 0.999 57.037 56.048 -0.016 0.000 1.332 118 H CB 0.103 29.921 29.762 0.094 0.000 1.386 118 H HN 0.190 nan 8.280 nan 0.000 0.516 119 I N 0.110 120.607 120.570 -0.122 0.000 2.226 119 I HA -0.280 3.890 4.170 0.000 0.000 0.245 119 I C 2.307 178.335 176.117 -0.148 0.000 1.100 119 I CA 1.353 62.543 61.300 -0.182 0.000 1.374 119 I CB -0.350 37.539 38.000 -0.184 0.000 1.057 119 I HN 0.317 nan 8.210 nan 0.000 0.413 120 H N 0.107 119.141 119.070 -0.061 0.000 2.353 120 H HA -0.158 4.398 4.556 0.000 0.000 0.300 120 H C 2.516 177.868 175.328 0.039 0.000 1.090 120 H CA 2.022 58.073 56.048 0.006 0.000 1.327 120 H CB -0.037 29.714 29.762 -0.019 0.000 1.383 120 H HN 0.358 nan 8.280 nan 0.000 0.508 121 S N -0.187 115.562 115.700 0.082 0.000 2.423 121 S HA -0.097 4.373 4.470 0.000 0.000 0.231 121 S C 2.196 176.756 174.600 -0.067 0.000 1.014 121 S CA 1.004 59.210 58.200 0.011 0.000 0.965 121 S CB -0.508 62.690 63.200 -0.003 0.000 0.785 121 S HN 0.144 nan 8.310 nan 0.000 0.495 122 V N 0.636 120.455 119.914 -0.158 0.000 2.453 122 V HA -0.073 4.047 4.120 0.000 0.000 0.247 122 V C 2.180 178.266 176.094 -0.012 0.000 1.048 122 V CA 1.482 63.686 62.300 -0.161 0.000 1.049 122 V CB -0.931 30.731 31.823 -0.269 0.000 0.672 122 V HN 0.705 nan 8.190 nan 0.000 0.457 123 W N 1.305 122.523 121.300 -0.136 0.000 2.355 123 W HA -0.197 4.463 4.660 0.000 0.000 0.309 123 W C 2.488 178.973 176.519 -0.056 0.000 1.206 123 W CA 2.141 59.430 57.345 -0.093 0.000 1.284 123 W CB -0.067 29.337 29.460 -0.094 0.000 1.145 123 W HN 0.206 nan 8.180 nan 0.000 0.502 124 K N 0.581 121.021 120.400 0.067 0.000 2.057 124 K HA -0.267 4.053 4.320 0.000 0.000 0.207 124 K C 1.738 178.279 176.600 -0.100 0.000 1.049 124 K CA 2.220 58.491 56.287 -0.027 0.000 0.931 124 K CB -0.584 31.946 32.500 0.050 0.000 0.714 124 K HN 0.038 nan 8.250 nan 0.000 0.440 125 D N 0.374 120.725 120.400 -0.082 0.000 2.123 125 D HA -0.178 4.462 4.640 0.000 0.000 0.196 125 D C 1.956 178.174 176.300 -0.137 0.000 0.992 125 D CA 1.145 55.090 54.000 -0.092 0.000 0.833 125 D CB -0.001 40.752 40.800 -0.078 0.000 0.954 125 D HN 0.203 nan 8.370 nan 0.000 0.455 126 L N -0.146 120.958 121.223 -0.199 0.000 2.083 126 L HA -0.145 4.195 4.340 0.000 0.000 0.209 126 L C 2.492 179.183 176.870 -0.298 0.000 1.083 126 L CA 0.697 55.378 54.840 -0.265 0.000 0.752 126 L CB -0.327 41.514 42.059 -0.364 0.000 0.899 126 L HN 0.246 nan 8.230 nan 0.000 0.433 127 L N -0.909 120.106 121.223 -0.346 0.000 2.156 127 L HA -0.153 4.187 4.340 0.000 0.000 0.208 127 L C 2.339 179.110 176.870 -0.165 0.000 1.095 127 L CA 1.096 55.763 54.840 -0.289 0.000 0.770 127 L CB -0.324 41.554 42.059 -0.302 0.000 0.914 127 L HN 0.274 nan 8.230 nan 0.000 0.439 128 E N -0.967 119.155 120.200 -0.129 0.000 2.122 128 E HA -0.073 4.277 4.350 0.000 0.000 0.190 128 E C 0.409 176.964 176.600 -0.075 0.000 0.977 128 E CA 0.331 56.681 56.400 -0.083 0.000 0.820 128 E CB 0.306 29.970 29.700 -0.061 0.000 0.770 128 E HN 0.193 nan 8.360 nan 0.000 0.462 129 D N 0.121 120.469 120.400 -0.086 0.000 2.308 129 D HA 0.065 4.705 4.640 0.000 0.000 0.242 129 D C -0.050 176.200 176.300 -0.083 0.000 1.059 129 D CA -0.081 53.877 54.000 -0.070 0.000 0.830 129 D CB 1.543 42.308 40.800 -0.058 0.000 1.161 129 D HN 0.006 nan 8.370 nan 0.000 0.494 130 T N 0.143 114.658 114.554 -0.066 0.000 3.145 130 T HA 0.173 4.523 4.350 0.000 0.000 0.281 130 T C 1.147 175.820 174.700 -0.045 0.000 1.003 130 T CA 0.230 62.291 62.100 -0.065 0.000 0.901 130 T CB -0.228 68.604 68.868 -0.059 0.000 1.112 130 T HN 0.197 nan 8.240 nan 0.000 0.535 131 V N -2.711 117.181 119.914 -0.036 0.000 3.371 131 V HA 0.391 4.511 4.120 0.000 0.000 0.246 131 V C 0.673 176.761 176.094 -0.010 0.000 1.303 131 V CA 0.021 62.309 62.300 -0.020 0.000 1.156 131 V CB -0.289 31.525 31.823 -0.016 0.000 0.929 131 V HN 0.278 nan 8.190 nan 0.000 0.459 132 T N 4.710 119.256 114.554 -0.014 0.000 2.752 132 T HA 0.362 4.712 4.350 0.000 0.000 0.295 132 T C -2.530 172.171 174.700 0.001 0.000 0.923 132 T CA -0.423 61.677 62.100 0.000 0.000 1.112 132 T CB 0.744 69.611 68.868 -0.001 0.000 0.884 132 T HN 0.352 nan 8.240 nan 0.000 0.525 133 P HA 0.104 nan 4.420 nan 0.000 0.262 133 P C -0.177 177.120 177.300 -0.006 0.000 1.182 133 P CA 0.003 63.114 63.100 0.019 0.000 0.761 133 P CB 0.273 32.026 31.700 0.089 0.000 0.795 134 I N 2.691 123.240 120.570 -0.036 0.000 2.428 134 I HA 0.103 4.273 4.170 0.000 0.000 0.289 134 I C 0.927 177.023 176.117 -0.034 0.000 1.019 134 I CA -0.138 61.146 61.300 -0.028 0.000 1.351 134 I CB 0.575 38.548 38.000 -0.044 0.000 1.412 134 I HN 0.303 nan 8.210 nan 0.000 0.513 135 D N 4.170 124.567 120.400 -0.004 0.000 2.389 135 D HA 0.229 4.869 4.640 0.000 0.000 0.247 135 D C -0.363 175.915 176.300 -0.035 0.000 1.128 135 D CA 0.224 54.212 54.000 -0.020 0.000 0.884 135 D CB 0.790 41.598 40.800 0.012 0.000 1.194 135 D HN 0.586 nan 8.370 nan 0.000 0.441 136 T N -0.529 113.974 114.554 -0.084 0.000 2.908 136 T HA 0.572 4.922 4.350 0.000 0.000 0.290 136 T C -0.278 174.287 174.700 -0.225 0.000 1.034 136 T CA -0.983 61.037 62.100 -0.132 0.000 1.010 136 T CB 1.659 70.462 68.868 -0.110 0.000 1.068 136 T HN 0.166 nan 8.240 nan 0.000 0.481 137 T N 2.513 116.786 114.554 -0.469 0.000 2.767 137 T HA 0.511 4.861 4.350 0.000 0.000 0.288 137 T C -0.189 174.125 174.700 -0.642 0.000 0.963 137 T CA -0.548 61.182 62.100 -0.617 0.000 1.019 137 T CB 0.449 68.784 68.868 -0.888 0.000 0.923 137 T HN 0.689 nan 8.240 nan 0.000 0.468 138 I N 4.615 125.027 120.570 -0.264 0.000 2.359 138 I HA 0.554 4.725 4.170 0.000 0.000 0.294 138 I C -0.637 175.471 176.117 -0.015 0.000 0.987 138 I CA -0.621 60.629 61.300 -0.084 0.000 1.225 138 I CB 0.454 38.490 38.000 0.060 0.000 1.366 138 I HN 0.529 nan 8.210 nan 0.000 0.466 139 M N 6.208 125.860 119.600 0.087 0.000 2.618 139 M HA 0.517 4.997 4.480 0.000 0.000 0.281 139 M C -1.004 175.370 176.300 0.123 0.000 1.267 139 M CA -0.809 54.569 55.300 0.131 0.000 0.845 139 M CB 2.172 34.917 32.600 0.242 0.000 1.732 139 M HN 0.556 nan 8.290 nan 0.000 0.461 140 A N 1.987 124.860 122.820 0.088 0.000 2.274 140 A HA 0.524 4.844 4.320 0.000 0.000 0.309 140 A C -0.319 177.308 177.584 0.072 0.000 1.226 140 A CA -0.641 51.438 52.037 0.069 0.000 0.853 140 A CB 0.455 19.479 19.000 0.040 0.000 1.146 140 A HN 0.665 nan 8.150 nan 0.000 0.518 141 K N 2.490 122.934 120.400 0.073 0.000 2.401 141 K HA 0.066 4.386 4.320 0.000 0.000 0.278 141 K C -0.648 175.958 176.600 0.010 0.000 1.018 141 K CA -0.059 56.256 56.287 0.047 0.000 0.981 141 K CB 0.445 32.980 32.500 0.058 0.000 0.933 141 K HN 0.617 nan 8.250 nan 0.000 0.477 142 N N 3.896 122.573 118.700 -0.038 0.000 2.645 142 N HA 0.124 4.864 4.740 0.000 0.000 0.233 142 N C -0.607 174.765 175.510 -0.229 0.000 1.058 142 N CA -0.050 52.937 53.050 -0.106 0.000 0.942 142 N CB 0.890 39.324 38.487 -0.089 0.000 1.210 142 N HN 0.438 nan 8.380 nan 0.000 0.512 143 E N 0.217 120.250 120.200 -0.278 0.000 2.277 143 E HA 0.467 4.817 4.350 0.000 0.000 0.266 143 E C -0.605 175.553 176.600 -0.738 0.000 0.901 143 E CA -0.960 55.152 56.400 -0.481 0.000 0.782 143 E CB 2.480 31.924 29.700 -0.426 0.000 1.228 143 E HN 0.029 nan 8.360 nan 0.000 0.424 144 V N 3.089 122.466 119.914 -0.896 0.000 2.439 144 V HA 0.442 4.562 4.120 0.000 0.000 0.282 144 V C -0.732 174.743 176.094 -1.031 0.000 1.039 144 V CA -0.164 61.626 62.300 -0.850 0.000 0.913 144 V CB 0.123 31.590 31.823 -0.595 0.000 0.983 144 V HN 0.517 nan 8.190 nan 0.000 0.460 145 F N 2.156 121.759 119.950 -0.578 0.000 2.849 145 F HA 0.698 5.225 4.527 0.000 0.000 0.341 145 F C 0.048 175.582 175.800 -0.444 0.000 1.185 145 F CA -0.908 56.789 58.000 -0.505 0.000 1.007 145 F CB 1.284 39.973 39.000 -0.518 0.000 1.454 145 F HN 0.541 nan 8.300 nan 0.000 0.518 146 C N 2.065 121.412 119.300 0.078 0.000 2.507 146 C HA 0.787 5.247 4.460 0.000 0.000 0.319 146 C C -0.347 174.828 174.990 0.308 0.000 1.208 146 C CA -0.836 58.276 59.018 0.157 0.000 1.619 146 C CB 0.343 28.150 27.740 0.112 0.000 2.230 146 C HN 0.770 nan 8.230 nan 0.000 0.492 147 V N 5.456 125.597 119.914 0.379 0.000 2.584 147 V HA 0.240 4.361 4.120 0.000 0.000 0.303 147 V C -0.106 176.073 176.094 0.140 0.000 1.035 147 V CA 0.686 63.149 62.300 0.272 0.000 1.172 147 V CB -0.246 31.673 31.823 0.161 0.000 0.896 147 V HN 0.995 nan 8.190 nan 0.000 0.486 155 K N 2.837 123.270 120.400 0.055 0.000 2.218 155 K HA 0.322 4.642 4.320 0.000 0.000 0.276 155 K C -2.244 174.411 176.600 0.090 0.000 1.022 155 K CA -1.646 54.662 56.287 0.036 0.000 0.946 155 K CB 0.604 33.051 32.500 -0.088 0.000 1.000 155 K HN 0.192 nan 8.250 nan 0.000 0.468 156 P HA 0.041 nan 4.420 nan 0.000 0.274 156 P C -0.880 176.482 177.300 0.105 0.000 1.231 156 P CA -0.393 62.742 63.100 0.058 0.000 0.790 156 P CB 0.735 32.449 31.700 0.023 0.000 0.951 157 A N 2.866 125.748 122.820 0.103 0.000 2.547 157 A HA 0.062 4.382 4.320 0.000 0.000 0.233 157 A C 0.577 178.223 177.584 0.103 0.000 1.067 157 A CA 0.262 52.369 52.037 0.117 0.000 0.763 157 A CB -0.286 18.761 19.000 0.078 0.000 1.007 157 A HN 0.552 nan 8.150 nan 0.000 0.506 158 R N 0.178 120.753 120.500 0.124 0.000 2.528 158 R HA 0.590 4.930 4.340 0.000 0.000 0.271 158 R C -0.918 175.444 176.300 0.102 0.000 1.056 158 R CA -0.405 55.766 56.100 0.119 0.000 1.117 158 R CB 0.513 30.900 30.300 0.144 0.000 1.085 158 R HN 0.688 nan 8.270 nan 0.000 0.530 159 L N 4.424 125.712 121.223 0.108 0.000 2.296 159 L HA 0.483 4.823 4.340 0.000 0.000 0.286 159 L C -0.354 176.610 176.870 0.156 0.000 1.023 159 L CA -0.667 54.239 54.840 0.110 0.000 0.812 159 L CB 1.672 43.775 42.059 0.074 0.000 1.223 159 L HN 0.587 nan 8.230 nan 0.000 0.421 160 I N 3.895 124.575 120.570 0.184 0.000 2.362 160 I HA 0.415 4.585 4.170 0.000 0.000 0.289 160 I C -0.878 175.409 176.117 0.283 0.000 0.994 160 I CA -0.509 60.943 61.300 0.253 0.000 1.158 160 I CB 1.526 39.690 38.000 0.273 0.000 1.315 160 I HN 0.229 nan 8.210 nan 0.000 0.451 161 V N 8.781 128.846 119.914 0.252 0.000 2.357 161 V HA 0.469 4.589 4.120 0.000 0.000 0.284 161 V C -0.630 175.591 176.094 0.212 0.000 1.018 161 V CA -0.442 61.941 62.300 0.140 0.000 0.841 161 V CB 0.860 32.763 31.823 0.133 0.000 0.991 161 V HN 0.585 nan 8.190 nan 0.000 0.437 162 F N 5.342 125.339 119.950 0.078 0.000 2.569 162 F HA 0.898 5.425 4.527 0.000 0.000 0.312 162 F C -2.902 172.936 175.800 0.063 0.000 1.109 162 F CA -3.029 55.014 58.000 0.073 0.000 0.919 162 F CB 1.691 40.728 39.000 0.063 0.000 1.211 162 F HN 0.267 nan 8.300 nan 0.000 0.446 163 P HA 0.067 nan 4.420 nan 0.000 0.276 163 P C -0.636 176.792 177.300 0.213 0.000 1.261 163 P CA -0.204 62.976 63.100 0.134 0.000 0.800 163 P CB 1.040 32.810 31.700 0.118 0.000 1.066 164 D N 0.095 120.598 120.400 0.171 0.000 2.378 164 D HA -0.065 4.575 4.640 0.000 0.000 0.238 164 D C 1.267 177.672 176.300 0.175 0.000 1.180 164 D CA -0.296 53.825 54.000 0.201 0.000 0.895 164 D CB 0.767 41.723 40.800 0.261 0.000 1.192 164 D HN 0.136 nan 8.370 nan 0.000 0.438 165 L N 3.691 124.997 121.223 0.139 0.000 2.127 165 L HA -0.042 4.298 4.340 0.000 0.000 0.211 165 L C 2.127 179.088 176.870 0.152 0.000 1.089 165 L CA 2.458 57.360 54.840 0.103 0.000 0.757 165 L CB -0.811 41.267 42.059 0.033 0.000 0.899 165 L HN 0.650 nan 8.230 nan 0.000 0.434 166 G N -1.172 107.754 108.800 0.210 0.000 2.421 166 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 166 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 166 G C 1.532 176.463 174.900 0.052 0.000 1.171 166 G CA 0.953 46.156 45.100 0.172 0.000 0.775 166 G HN 0.312 nan 8.290 nan 0.000 0.543 167 V N 0.794 120.745 119.914 0.062 0.000 2.343 167 V HA -0.178 3.942 4.120 0.000 0.000 0.247 167 V C 2.976 179.114 176.094 0.074 0.000 1.051 167 V CA 1.982 64.312 62.300 0.051 0.000 1.036 167 V CB -0.440 31.415 31.823 0.054 0.000 0.654 167 V HN 0.332 nan 8.190 nan 0.000 0.451 168 R N -0.476 120.077 120.500 0.088 0.000 2.105 168 R HA -0.132 4.208 4.340 0.000 0.000 0.239 168 R C 2.192 178.519 176.300 0.046 0.000 1.135 168 R CA 1.512 57.660 56.100 0.080 0.000 0.967 168 R CB -0.618 29.724 30.300 0.070 0.000 0.861 168 R HN 0.434 nan 8.270 nan 0.000 0.442 169 V N 0.408 120.337 119.914 0.025 0.000 2.343 169 V HA -0.302 3.818 4.120 0.000 0.000 0.247 169 V C 2.525 178.607 176.094 -0.020 0.000 1.051 169 V CA 1.567 63.851 62.300 -0.026 0.000 1.036 169 V CB -0.505 31.290 31.823 -0.047 0.000 0.654 169 V HN 0.444 nan 8.190 nan 0.000 0.451 170 C N -0.114 119.214 119.300 0.045 0.000 2.429 170 C HA -0.148 4.312 4.460 0.000 0.000 0.277 170 C C 2.691 177.815 174.990 0.224 0.000 1.262 170 C CA 0.970 60.095 59.018 0.177 0.000 1.733 170 C CB -1.003 26.907 27.740 0.283 0.000 2.010 170 C HN 0.625 nan 8.230 nan 0.000 0.483 171 E N 0.787 121.079 120.200 0.154 0.000 2.065 171 E HA -0.283 4.067 4.350 0.000 0.000 0.201 171 E C 2.140 178.832 176.600 0.153 0.000 1.016 171 E CA 1.497 57.999 56.400 0.170 0.000 0.818 171 E CB -0.237 29.571 29.700 0.179 0.000 0.749 171 E HN 0.639 nan 8.360 nan 0.000 0.453 172 K N 0.324 120.782 120.400 0.096 0.000 2.009 172 K HA -0.146 4.175 4.320 0.000 0.000 0.210 172 K C 2.249 178.881 176.600 0.054 0.000 1.049 172 K CA 1.549 57.880 56.287 0.074 0.000 0.929 172 K CB -0.179 32.286 32.500 -0.058 0.000 0.714 172 K HN 0.101 nan 8.250 nan 0.000 0.440 173 M N 0.083 119.663 119.600 -0.033 0.000 2.106 173 M HA -0.242 4.238 4.480 0.000 0.000 0.259 173 M C 2.311 178.623 176.300 0.021 0.000 1.068 173 M CA 1.923 57.139 55.300 -0.139 0.000 1.100 173 M CB -0.246 32.062 32.600 -0.485 0.000 1.351 173 M HN 0.285 nan 8.290 nan 0.000 0.404 174 A N -0.853 122.093 122.820 0.210 0.000 1.911 174 A HA 0.076 4.396 4.320 0.000 0.000 0.212 174 A C 1.841 179.505 177.584 0.133 0.000 1.189 174 A CA 1.003 53.209 52.037 0.281 0.000 0.639 174 A CB -0.164 19.045 19.000 0.348 0.000 0.839 174 A HN 0.464 nan 8.150 nan 0.000 0.449 175 L N -3.030 118.256 121.223 0.105 0.000 2.749 175 L HA 0.175 4.515 4.340 0.000 0.000 0.242 175 L C 2.026 178.911 176.870 0.024 0.000 1.103 175 L CA 0.152 54.994 54.840 0.004 0.000 0.906 175 L CB -0.122 41.902 42.059 -0.058 0.000 1.228 175 L HN 0.480 nan 8.230 nan 0.000 0.517 176 Y N 1.604 121.902 120.300 -0.003 0.000 2.102 176 Y HA -0.403 4.148 4.550 0.000 0.000 0.280 176 Y C 2.189 178.109 175.900 0.034 0.000 1.178 176 Y CA 2.402 60.514 58.100 0.020 0.000 1.146 176 Y CB -0.062 38.394 38.460 -0.006 0.000 0.968 176 Y HN 0.245 nan 8.280 nan 0.000 0.504 177 D N -0.866 119.558 120.400 0.039 0.000 2.144 177 D HA -0.162 4.478 4.640 0.000 0.000 0.200 177 D C 2.200 178.437 176.300 -0.105 0.000 0.978 177 D CA 1.405 55.382 54.000 -0.038 0.000 0.833 177 D CB -0.195 40.640 40.800 0.057 0.000 0.961 177 D HN 0.270 nan 8.370 nan 0.000 0.470 178 V N 0.422 120.279 119.914 -0.094 0.000 2.255 178 V HA -0.241 3.879 4.120 0.000 0.000 0.247 178 V C 2.645 178.643 176.094 -0.161 0.000 1.051 178 V CA 1.874 64.101 62.300 -0.121 0.000 1.018 178 V CB -0.701 31.014 31.823 -0.179 0.000 0.641 178 V HN 0.348 nan 8.190 nan 0.000 0.445 179 V N -2.658 117.136 119.914 -0.199 0.000 2.970 179 V HA -0.057 4.064 4.120 0.000 0.000 0.260 179 V C 2.029 177.986 176.094 -0.228 0.000 1.100 179 V CA 1.920 64.102 62.300 -0.196 0.000 1.122 179 V CB -0.276 31.450 31.823 -0.161 0.000 0.721 179 V HN 0.454 nan 8.190 nan 0.000 0.483 180 S N 0.634 116.186 115.700 -0.247 0.000 2.425 180 S HA -0.016 4.454 4.470 0.000 0.000 0.225 180 S C 1.881 176.400 174.600 -0.136 0.000 1.024 180 S CA 1.505 59.583 58.200 -0.202 0.000 0.951 180 S CB -0.011 63.020 63.200 -0.281 0.000 0.796 180 S HN 0.781 nan 8.310 nan 0.000 0.498 181 T N 1.648 116.118 114.554 -0.140 0.000 3.056 181 T HA 0.232 4.582 4.350 0.000 0.000 0.241 181 T C 1.668 176.283 174.700 -0.142 0.000 1.006 181 T CA -0.011 62.025 62.100 -0.107 0.000 1.115 181 T CB -0.299 68.527 68.868 -0.069 0.000 0.939 181 T HN 0.130 nan 8.240 nan 0.000 0.462 182 L N 2.662 123.796 121.223 -0.148 0.000 1.989 182 L HA -0.002 4.338 4.340 0.000 0.000 0.211 182 L C -1.042 175.668 176.870 -0.267 0.000 1.071 182 L CA 2.178 56.928 54.840 -0.149 0.000 0.749 182 L CB -1.148 40.869 42.059 -0.069 0.000 0.890 182 L HN 0.091 nan 8.230 nan 0.000 0.431 183 P HA -0.214 nan 4.420 nan 0.000 0.215 183 P C 1.454 178.305 177.300 -0.749 0.000 1.153 183 P CA 1.336 63.967 63.100 -0.782 0.000 0.853 183 P CB -0.206 30.593 31.700 -1.500 0.000 0.788 184 Q N 0.075 119.540 119.800 -0.559 0.000 2.084 184 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 184 Q C 1.984 177.872 176.000 -0.187 0.000 0.978 184 Q CA 1.554 57.215 55.803 -0.237 0.000 0.844 184 Q CB -0.825 27.865 28.738 -0.080 0.000 0.898 184 Q HN 0.075 nan 8.270 nan 0.000 0.426 185 V N 0.186 119.994 119.914 -0.177 0.000 2.358 185 V HA -0.207 3.913 4.120 0.000 0.000 0.246 185 V C 2.545 178.558 176.094 -0.134 0.000 1.047 185 V CA 1.491 63.717 62.300 -0.122 0.000 1.035 185 V CB -0.529 31.237 31.823 -0.095 0.000 0.658 185 V HN 0.129 nan 8.190 nan 0.000 0.452 186 V N -0.941 118.859 119.914 -0.191 0.000 2.548 186 V HA -0.161 3.959 4.120 0.000 0.000 0.249 186 V C 2.014 177.948 176.094 -0.267 0.000 1.055 186 V CA 2.086 64.271 62.300 -0.193 0.000 1.065 186 V CB -0.344 31.352 31.823 -0.212 0.000 0.681 186 V HN 0.478 nan 8.190 nan 0.000 0.462 187 M N -1.883 117.496 119.600 -0.369 0.000 2.449 187 M HA 0.385 4.865 4.480 0.000 0.000 0.262 187 M C 1.450 177.630 176.300 -0.199 0.000 1.152 187 M CA 0.803 55.800 55.300 -0.505 0.000 1.104 187 M CB 0.777 32.926 32.600 -0.752 0.000 1.416 187 M HN 0.436 nan 8.290 nan 0.000 0.519 188 G N 1.665 110.384 108.800 -0.135 0.000 2.574 188 G HA2 -0.389 3.572 3.960 0.000 0.000 0.286 188 G HA3 -0.389 3.572 3.960 0.000 0.000 0.286 188 G C 0.784 175.648 174.900 -0.059 0.000 1.212 188 G CA 0.823 45.886 45.100 -0.062 0.000 0.979 188 G HN 0.527 nan 8.290 nan 0.000 0.557 189 S N -0.635 115.062 115.700 -0.004 0.000 2.465 189 S HA 0.026 4.496 4.470 0.000 0.000 0.241 189 S C 2.147 176.657 174.600 -0.150 0.000 1.000 189 S CA 2.109 60.298 58.200 -0.018 0.000 0.964 189 S CB -0.165 63.145 63.200 0.183 0.000 0.763 189 S HN 1.108 nan 8.310 nan 0.000 0.512 190 S N 0.071 115.758 115.700 -0.021 0.000 2.527 190 S HA 0.169 4.639 4.470 0.000 0.000 0.222 190 S C 0.143 174.718 174.600 -0.041 0.000 0.985 190 S CA -0.237 57.976 58.200 0.021 0.000 0.921 190 S CB -0.356 62.972 63.200 0.212 0.000 0.772 190 S HN 0.683 nan 8.310 nan 0.000 0.529 191 Y N 2.742 122.886 120.300 -0.260 0.000 2.436 191 Y HA 0.484 5.034 4.550 0.000 0.000 0.343 191 Y C 1.234 176.927 175.900 -0.344 0.000 1.008 191 Y CA -1.390 56.533 58.100 -0.294 0.000 1.241 191 Y CB 0.262 38.556 38.460 -0.277 0.000 1.153 191 Y HN 0.053 nan 8.280 nan 0.000 0.521 192 G N 4.468 112.832 108.800 -0.728 0.000 2.403 192 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 192 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 192 G C 1.053 175.437 174.900 -0.860 0.000 1.154 192 G CA 0.179 44.857 45.100 -0.703 0.000 0.784 192 G HN 0.637 nan 8.290 nan 0.000 0.538 193 F N 1.590 120.847 119.950 -1.155 0.000 2.699 193 F HA 0.029 4.556 4.527 0.000 0.000 0.298 193 F C 2.794 178.344 175.800 -0.417 0.000 1.154 193 F CA 0.898 58.339 58.000 -0.931 0.000 1.457 193 F CB -0.159 38.284 39.000 -0.929 0.000 1.106 193 F HN 0.361 nan 8.300 nan 0.000 0.585 194 Q N -0.876 118.646 119.800 -0.465 0.000 2.482 194 Q HA -0.063 4.277 4.340 0.000 0.000 0.209 194 Q C -0.785 175.025 176.000 -0.316 0.000 0.961 194 Q CA 0.691 56.305 55.803 -0.314 0.000 0.945 194 Q CB -0.303 28.154 28.738 -0.468 0.000 1.012 194 Q HN 0.299 nan 8.270 nan 0.000 0.515 195 Y N 1.335 121.620 120.300 -0.025 0.000 2.393 195 Y HA 0.316 4.866 4.550 0.000 0.000 0.341 195 Y C 0.313 175.973 175.900 -0.400 0.000 0.988 195 Y CA -1.461 56.545 58.100 -0.158 0.000 1.078 195 Y CB 1.777 40.106 38.460 -0.218 0.000 1.203 195 Y HN 0.107 nan 8.280 nan 0.000 0.453 196 S N 2.597 117.937 115.700 -0.599 0.000 2.600 196 S HA 0.229 4.700 4.470 0.000 0.000 0.265 196 S C -2.055 172.172 174.600 -0.621 0.000 1.325 196 S CA -1.041 56.354 58.200 -1.341 0.000 1.002 196 S CB 1.323 63.943 63.200 -0.966 0.000 0.921 196 S HN 0.432 nan 8.310 nan 0.000 0.554 197 P HA -0.010 nan 4.420 nan 0.000 0.216 197 P C 1.629 178.794 177.300 -0.225 0.000 1.150 197 P CA 1.664 64.585 63.100 -0.299 0.000 0.843 197 P CB -0.471 31.084 31.700 -0.242 0.000 0.787 198 G N -0.641 107.973 108.800 -0.309 0.000 2.443 198 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 198 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 198 G C 1.472 176.295 174.900 -0.129 0.000 1.131 198 G CA 0.434 45.435 45.100 -0.164 0.000 0.775 198 G HN 0.326 nan 8.290 nan 0.000 0.547 199 Q N -0.866 118.836 119.800 -0.164 0.000 2.302 199 Q HA 0.171 4.511 4.340 0.000 0.000 0.202 199 Q C 2.503 178.319 176.000 -0.307 0.000 0.936 199 Q CA 0.154 55.883 55.803 -0.124 0.000 0.886 199 Q CB 0.095 28.867 28.738 0.058 0.000 0.986 199 Q HN 0.423 nan 8.270 nan 0.000 0.487 200 R N 0.206 120.543 120.500 -0.273 0.000 2.073 200 R HA -0.064 4.276 4.340 0.000 0.000 0.229 200 R C 2.118 178.313 176.300 -0.175 0.000 1.120 200 R CA 0.914 56.828 56.100 -0.310 0.000 0.967 200 R CB -0.144 30.059 30.300 -0.161 0.000 0.862 200 R HN 0.152 nan 8.270 nan 0.000 0.436 201 V N 1.251 121.093 119.914 -0.120 0.000 2.548 201 V HA -0.152 3.968 4.120 0.000 0.000 0.249 201 V C 2.083 178.111 176.094 -0.111 0.000 1.055 201 V CA 2.052 64.297 62.300 -0.092 0.000 1.065 201 V CB -0.154 31.656 31.823 -0.021 0.000 0.681 201 V HN 0.466 nan 8.190 nan 0.000 0.462 202 E N -0.557 119.588 120.200 -0.092 0.000 2.051 202 E HA -0.276 4.074 4.350 0.000 0.000 0.192 202 E C 2.112 178.653 176.600 -0.098 0.000 0.991 202 E CA 1.931 58.285 56.400 -0.077 0.000 0.799 202 E CB -0.370 29.301 29.700 -0.048 0.000 0.748 202 E HN 0.670 nan 8.360 nan 0.000 0.449 203 F N 1.285 121.058 119.950 -0.295 0.000 2.134 203 F HA -0.128 4.399 4.527 0.000 0.000 0.299 203 F C 2.008 177.678 175.800 -0.218 0.000 1.097 203 F CA 1.237 59.052 58.000 -0.308 0.000 1.264 203 F CB -0.182 38.461 39.000 -0.595 0.000 1.001 203 F HN -0.006 nan 8.300 nan 0.000 0.479 204 L N -0.670 120.423 121.223 -0.217 0.000 2.083 204 L HA -0.200 4.141 4.340 0.000 0.000 0.209 204 L C 2.331 179.037 176.870 -0.274 0.000 1.083 204 L CA 0.893 55.574 54.840 -0.265 0.000 0.752 204 L CB -0.665 41.297 42.059 -0.160 0.000 0.899 204 L HN 0.060 nan 8.230 nan 0.000 0.433 205 V N -0.267 119.472 119.914 -0.292 0.000 2.283 205 V HA -0.220 3.900 4.120 0.000 0.000 0.243 205 V C 2.158 178.140 176.094 -0.188 0.000 1.039 205 V CA 1.626 63.734 62.300 -0.321 0.000 1.016 205 V CB -0.589 30.922 31.823 -0.521 0.000 0.650 205 V HN 0.458 nan 8.190 nan 0.000 0.449 206 N N 0.157 118.737 118.700 -0.199 0.000 2.205 206 N HA -0.143 4.597 4.740 0.000 0.000 0.186 206 N C 1.843 177.231 175.510 -0.203 0.000 1.015 206 N CA 1.922 54.876 53.050 -0.161 0.000 0.862 206 N CB -0.368 38.041 38.487 -0.130 0.000 0.986 206 N HN 0.485 nan 8.380 nan 0.000 0.429 207 T N -0.020 114.330 114.554 -0.341 0.000 2.812 207 T HA -0.100 4.250 4.350 0.000 0.000 0.264 207 T C 1.508 176.116 174.700 -0.154 0.000 1.042 207 T CA 0.364 62.252 62.100 -0.354 0.000 1.140 207 T CB -0.177 68.300 68.868 -0.652 0.000 0.870 207 T HN 0.423 nan 8.240 nan 0.000 0.445 208 W N 2.395 123.526 121.300 -0.283 0.000 2.342 208 W HA -0.068 4.593 4.660 0.000 0.000 0.297 208 W C 1.497 177.927 176.519 -0.147 0.000 1.213 208 W CA 1.087 58.312 57.345 -0.200 0.000 1.251 208 W CB -0.055 29.276 29.460 -0.213 0.000 1.136 208 W HN 0.243 nan 8.180 nan 0.000 0.526 209 K N 0.058 120.446 120.400 -0.020 0.000 2.459 209 K HA -0.048 4.273 4.320 0.000 0.000 0.193 209 K C 1.767 178.307 176.600 -0.100 0.000 1.030 209 K CA 1.064 57.317 56.287 -0.058 0.000 1.026 209 K CB -0.017 32.478 32.500 -0.009 0.000 0.809 209 K HN 0.008 nan 8.250 nan 0.000 0.504 210 S N 0.508 116.133 115.700 -0.124 0.000 2.605 210 S HA 0.106 4.576 4.470 0.000 0.000 0.217 210 S C 0.254 174.774 174.600 -0.132 0.000 0.958 210 S CA -0.254 57.879 58.200 -0.111 0.000 0.919 210 S CB 0.066 63.204 63.200 -0.103 0.000 0.780 210 S HN -0.036 nan 8.310 nan 0.000 0.507 211 K N 1.548 121.833 120.400 -0.192 0.000 2.207 211 K HA 0.427 4.747 4.320 0.000 0.000 0.255 211 K C 0.109 176.589 176.600 -0.200 0.000 0.941 211 K CA -0.616 55.542 56.287 -0.214 0.000 0.825 211 K CB 1.816 34.122 32.500 -0.323 0.000 1.119 211 K HN 0.049 nan 8.250 nan 0.000 0.430 212 K N 1.045 121.358 120.400 -0.145 0.000 1.984 212 K HA -0.100 4.220 4.320 0.000 0.000 0.209 212 K C 0.157 176.676 176.600 -0.136 0.000 1.046 212 K CA 1.371 57.589 56.287 -0.114 0.000 0.934 212 K CB -0.057 32.395 32.500 -0.079 0.000 0.717 212 K HN 0.371 nan 8.250 nan 0.000 0.438 213 N N 1.449 120.064 118.700 -0.142 0.000 2.564 213 N HA 0.201 4.941 4.740 0.000 0.000 0.248 213 N C -2.810 172.561 175.510 -0.230 0.000 0.986 213 N CA -1.775 51.187 53.050 -0.147 0.000 0.921 213 N CB 1.507 39.949 38.487 -0.076 0.000 1.136 213 N HN -0.003 nan 8.380 nan 0.000 0.509 214 P HA 0.197 nan 4.420 nan 0.000 0.278 214 P C -0.803 176.168 177.300 -0.548 0.000 1.238 214 P CA -0.417 62.194 63.100 -0.815 0.000 0.794 214 P CB 1.100 31.629 31.700 -1.950 0.000 0.955 215 M N 2.085 121.460 119.600 -0.376 0.000 2.277 215 M HA 0.545 5.025 4.480 0.000 0.000 0.282 215 M C -1.355 174.987 176.300 0.070 0.000 1.074 215 M CA -0.209 55.025 55.300 -0.111 0.000 0.954 215 M CB 2.293 34.858 32.600 -0.059 0.000 1.672 215 M HN 0.542 nan 8.290 nan 0.000 0.471 216 G N 4.379 113.321 108.800 0.237 0.000 2.482 216 G HA2 0.836 4.796 3.960 0.000 0.000 0.317 216 G HA3 0.836 4.796 3.960 0.000 0.000 0.317 216 G C -1.853 173.144 174.900 0.161 0.000 1.241 216 G CA -0.547 44.679 45.100 0.210 0.000 0.967 216 G HN 0.758 nan 8.290 nan 0.000 0.482 217 F N 0.125 120.036 119.950 -0.065 0.000 2.615 217 F HA 0.708 5.235 4.527 0.000 0.000 0.312 217 F C -0.195 175.582 175.800 -0.038 0.000 1.119 217 F CA -1.575 56.379 58.000 -0.076 0.000 0.979 217 F CB 1.202 40.133 39.000 -0.116 0.000 1.266 217 F HN 0.570 nan 8.300 nan 0.000 0.444 218 S N 2.137 117.858 115.700 0.035 0.000 2.586 218 S HA 0.543 5.013 4.470 0.000 0.000 0.274 218 S C -1.326 173.408 174.600 0.224 0.000 1.281 218 S CA -0.529 57.686 58.200 0.025 0.000 1.035 218 S CB 1.365 64.576 63.200 0.019 0.000 0.962 218 S HN 0.783 nan 8.310 nan 0.000 0.512 219 Y N 1.415 121.784 120.300 0.114 0.000 2.334 219 Y HA 0.416 4.966 4.550 0.000 0.000 0.336 219 Y C -0.697 175.318 175.900 0.192 0.000 0.960 219 Y CA -0.931 57.318 58.100 0.248 0.000 1.164 219 Y CB 1.234 39.942 38.460 0.414 0.000 1.155 219 Y HN 0.836 nan 8.280 nan 0.000 0.478 220 D N 4.316 124.561 120.400 -0.258 0.000 2.396 220 D HA 0.211 4.851 4.640 0.000 0.000 0.225 220 D C -0.674 175.439 176.300 -0.311 0.000 1.121 220 D CA -0.072 53.829 54.000 -0.165 0.000 0.853 220 D CB 0.844 41.580 40.800 -0.105 0.000 1.043 220 D HN 0.483 nan 8.370 nan 0.000 0.500 221 T N 3.367 117.934 114.554 0.023 0.000 2.884 221 T HA 0.130 4.480 4.350 0.000 0.000 0.298 221 T C 0.531 175.301 174.700 0.116 0.000 0.998 221 T CA -0.474 61.723 62.100 0.162 0.000 1.124 221 T CB 0.693 69.865 68.868 0.507 0.000 0.931 221 T HN 0.313 nan 8.240 nan 0.000 0.531 222 R N 2.210 122.743 120.500 0.056 0.000 2.399 222 R HA 0.150 4.491 4.340 0.000 0.000 0.324 222 R C 0.050 176.443 176.300 0.155 0.000 1.030 222 R CA -0.322 55.807 56.100 0.049 0.000 0.984 222 R CB -0.772 29.493 30.300 -0.059 0.000 0.961 222 R HN 0.878 nan 8.270 nan 0.000 0.433 223 C N 6.706 126.132 119.300 0.211 0.000 2.103 223 C HA -0.201 4.259 4.460 0.000 0.000 0.199 223 C C 1.288 176.481 174.990 0.338 0.000 1.155 223 C CA 0.158 59.352 59.018 0.293 0.000 2.939 223 C CB -2.130 25.815 27.740 0.342 0.000 1.739 223 C HN 1.065 nan 8.230 nan 0.000 0.268 224 F N 2.384 122.454 119.950 0.199 0.000 2.120 224 F HA -0.121 4.406 4.527 0.000 0.000 0.300 224 F C 1.837 177.751 175.800 0.190 0.000 1.095 224 F CA 2.451 60.569 58.000 0.196 0.000 1.249 224 F CB -0.005 39.099 39.000 0.173 0.000 0.995 224 F HN 0.655 nan 8.300 nan 0.000 0.480 225 D N -0.516 120.114 120.400 0.384 0.000 2.117 225 D HA -0.152 4.488 4.640 0.000 0.000 0.197 225 D C 2.441 178.822 176.300 0.135 0.000 0.987 225 D CA 1.584 55.743 54.000 0.265 0.000 0.829 225 D CB -0.526 40.432 40.800 0.263 0.000 0.961 225 D HN 0.224 nan 8.370 nan 0.000 0.460 226 S N -0.325 115.477 115.700 0.170 0.000 2.423 226 S HA -0.110 4.360 4.470 0.000 0.000 0.231 226 S C 2.060 176.668 174.600 0.015 0.000 1.014 226 S CA 1.493 59.713 58.200 0.034 0.000 0.965 226 S CB -0.237 62.986 63.200 0.039 0.000 0.785 226 S HN 0.527 nan 8.310 nan 0.000 0.495 227 T N -0.498 114.145 114.554 0.149 0.000 3.067 227 T HA 0.148 4.498 4.350 0.000 0.000 0.257 227 T C 0.662 175.328 174.700 -0.056 0.000 1.105 227 T CA -0.047 62.124 62.100 0.119 0.000 1.104 227 T CB -0.482 68.407 68.868 0.035 0.000 0.925 227 T HN 0.050 nan 8.240 nan 0.000 0.498 228 V N 4.273 124.115 119.914 -0.120 0.000 2.458 228 V HA 0.240 4.360 4.120 0.000 0.000 0.287 228 V C 1.276 177.338 176.094 -0.052 0.000 1.009 228 V CA 0.087 62.333 62.300 -0.090 0.000 1.091 228 V CB -0.431 31.380 31.823 -0.020 0.000 0.960 228 V HN 0.740 nan 8.190 nan 0.000 0.476 229 T N 1.001 115.534 114.554 -0.034 0.000 2.849 229 T HA 0.288 4.638 4.350 0.000 0.000 0.276 229 T C 1.050 175.740 174.700 -0.016 0.000 0.971 229 T CA -0.226 61.856 62.100 -0.029 0.000 0.949 229 T CB 1.364 70.219 68.868 -0.021 0.000 1.093 229 T HN 0.673 nan 8.240 nan 0.000 0.545 230 E N 0.154 120.345 120.200 -0.016 0.000 2.110 230 E HA -0.228 4.122 4.350 0.000 0.000 0.193 230 E C 1.955 178.561 176.600 0.010 0.000 0.988 230 E CA 1.406 57.806 56.400 0.001 0.000 0.804 230 E CB -0.209 29.490 29.700 -0.001 0.000 0.745 230 E HN 0.756 nan 8.360 nan 0.000 0.458 231 N N 0.785 119.488 118.700 0.004 0.000 2.069 231 N HA -0.195 4.545 4.740 0.000 0.000 0.191 231 N C 1.471 177.001 175.510 0.032 0.000 1.031 231 N CA 2.077 55.135 53.050 0.014 0.000 0.852 231 N CB -0.092 38.394 38.487 -0.001 0.000 1.018 231 N HN 0.100 nan 8.380 nan 0.000 0.423 232 D N 0.028 120.447 120.400 0.031 0.000 2.117 232 D HA -0.107 4.533 4.640 0.000 0.000 0.197 232 D C 1.968 178.282 176.300 0.023 0.000 0.987 232 D CA 0.990 55.017 54.000 0.046 0.000 0.829 232 D CB -0.257 40.565 40.800 0.037 0.000 0.961 232 D HN 0.460 nan 8.370 nan 0.000 0.460 233 I N 0.569 121.154 120.570 0.024 0.000 2.315 233 I HA -0.195 3.975 4.170 0.000 0.000 0.248 233 I C 2.489 178.620 176.117 0.023 0.000 1.117 233 I CA 0.889 62.209 61.300 0.033 0.000 1.404 233 I CB -0.083 37.957 38.000 0.066 0.000 1.071 233 I HN -0.101 nan 8.210 nan 0.000 0.419 234 R N 0.155 120.667 120.500 0.021 0.000 2.062 234 R HA -0.071 4.269 4.340 0.000 0.000 0.229 234 R C 2.383 178.670 176.300 -0.020 0.000 1.128 234 R CA 1.043 57.151 56.100 0.013 0.000 0.960 234 R CB -0.527 29.784 30.300 0.019 0.000 0.855 234 R HN 0.172 nan 8.270 nan 0.000 0.432 235 V N 1.858 121.764 119.914 -0.012 0.000 2.324 235 V HA -0.292 3.828 4.120 0.000 0.000 0.250 235 V C 2.455 178.473 176.094 -0.126 0.000 1.060 235 V CA 2.138 64.418 62.300 -0.033 0.000 1.042 235 V CB -0.531 31.310 31.823 0.030 0.000 0.650 235 V HN 0.451 nan 8.190 nan 0.000 0.450 236 E N -0.171 119.930 120.200 -0.165 0.000 2.110 236 E HA -0.274 4.076 4.350 0.000 0.000 0.193 236 E C 2.244 178.436 176.600 -0.680 0.000 0.988 236 E CA 1.424 57.598 56.400 -0.378 0.000 0.804 236 E CB -0.148 29.397 29.700 -0.257 0.000 0.745 236 E HN 0.694 nan 8.360 nan 0.000 0.458 237 E N 0.476 120.490 120.200 -0.309 0.000 2.106 237 E HA -0.144 4.206 4.350 0.000 0.000 0.192 237 E C 2.123 178.663 176.600 -0.100 0.000 0.984 237 E CA 1.297 57.618 56.400 -0.131 0.000 0.806 237 E CB -0.013 29.723 29.700 0.061 0.000 0.750 237 E HN 0.331 nan 8.360 nan 0.000 0.458 238 S N 0.040 115.677 115.700 -0.106 0.000 2.447 238 S HA -0.094 4.376 4.470 0.000 0.000 0.233 238 S C 1.978 176.532 174.600 -0.076 0.000 1.006 238 S CA 0.641 58.805 58.200 -0.060 0.000 0.957 238 S CB -0.384 62.788 63.200 -0.047 0.000 0.773 238 S HN 0.249 nan 8.310 nan 0.000 0.507 239 I N -0.154 120.316 120.570 -0.167 0.000 2.333 239 I HA -0.042 4.128 4.170 0.000 0.000 0.246 239 I C 2.169 178.273 176.117 -0.021 0.000 1.106 239 I CA 0.878 62.097 61.300 -0.135 0.000 1.411 239 I CB -0.459 37.415 38.000 -0.209 0.000 1.082 239 I HN 0.173 nan 8.210 nan 0.000 0.420 240 Y N 1.179 121.475 120.300 -0.005 0.000 2.207 240 Y HA -0.231 4.319 4.550 0.000 0.000 0.287 240 Y C 2.585 178.490 175.900 0.008 0.000 1.156 240 Y CA 0.770 58.871 58.100 0.003 0.000 1.182 240 Y CB -0.996 37.481 38.460 0.027 0.000 0.979 240 Y HN 0.248 nan 8.280 nan 0.000 0.521 241 Q N -1.422 118.471 119.800 0.154 0.000 2.435 241 Q HA -0.069 4.271 4.340 0.000 0.000 0.207 241 Q C 2.293 178.326 176.000 0.054 0.000 0.956 241 Q CA 0.705 56.563 55.803 0.092 0.000 0.917 241 Q CB -0.657 28.120 28.738 0.065 0.000 0.997 241 Q HN 0.517 nan 8.270 nan 0.000 0.497 242 C N 0.158 119.483 119.300 0.043 0.000 2.432 242 C HA -0.025 4.435 4.460 0.000 0.000 0.280 242 C C 1.610 176.617 174.990 0.028 0.000 1.353 242 C CA -0.660 58.372 59.018 0.023 0.000 1.766 242 C CB -0.603 27.141 27.740 0.006 0.000 1.924 242 C HN 0.395 nan 8.230 nan 0.000 0.509 243 C N 2.045 121.372 119.300 0.044 0.000 2.703 243 C HA 0.060 4.520 4.460 0.000 0.000 0.411 243 C C 0.655 175.664 174.990 0.032 0.000 1.290 243 C CA -0.212 58.828 59.018 0.036 0.000 2.054 243 C CB -0.375 27.393 27.740 0.046 0.000 2.732 243 C HN 0.506 nan 8.230 nan 0.000 0.650 244 D N 1.868 122.282 120.400 0.024 0.000 2.346 244 D HA 0.373 5.013 4.640 0.000 0.000 0.260 244 D C -0.642 175.675 176.300 0.030 0.000 1.252 244 D CA 0.455 54.469 54.000 0.023 0.000 0.895 244 D CB 0.245 41.056 40.800 0.017 0.000 1.097 244 D HN 0.367 nan 8.370 nan 0.000 0.489 245 L N 1.995 123.239 121.223 0.035 0.000 2.333 245 L HA 0.587 4.927 4.340 0.000 0.000 0.263 245 L C 0.377 177.273 176.870 0.044 0.000 1.014 245 L CA -1.195 53.671 54.840 0.043 0.000 0.820 245 L CB 1.752 43.843 42.059 0.052 0.000 1.352 245 L HN 0.276 nan 8.230 nan 0.000 0.421 246 A N 1.486 124.339 122.820 0.054 0.000 2.425 246 A HA 0.402 4.722 4.320 0.000 0.000 0.242 246 A C -1.830 175.789 177.584 0.059 0.000 1.077 246 A CA -0.875 51.197 52.037 0.058 0.000 0.781 246 A CB -0.140 18.905 19.000 0.075 0.000 1.020 246 A HN 0.635 nan 8.150 nan 0.000 0.494 247 P HA -0.180 nan 4.420 nan 0.000 0.216 247 P C 1.197 178.519 177.300 0.036 0.000 1.153 247 P CA 1.608 64.729 63.100 0.035 0.000 0.858 247 P CB 0.135 31.852 31.700 0.028 0.000 0.789 248 E N -0.673 119.571 120.200 0.072 0.000 2.070 248 E HA -0.233 4.117 4.350 0.000 0.000 0.197 248 E C 2.031 178.687 176.600 0.093 0.000 1.004 248 E CA 1.417 57.879 56.400 0.104 0.000 0.805 248 E CB -0.499 29.361 29.700 0.267 0.000 0.744 248 E HN 0.141 nan 8.360 nan 0.000 0.451 249 A N 1.416 124.322 122.820 0.144 0.000 1.858 249 A HA -0.209 4.111 4.320 0.000 0.000 0.216 249 A C 2.048 179.664 177.584 0.054 0.000 1.190 249 A CA 1.435 53.557 52.037 0.141 0.000 0.617 249 A CB -0.483 18.594 19.000 0.128 0.000 0.827 249 A HN 0.120 nan 8.150 nan 0.000 0.443 250 R N -0.937 119.588 120.500 0.041 0.000 2.113 250 R HA -0.252 4.088 4.340 0.000 0.000 0.244 250 R C 2.509 178.802 176.300 -0.011 0.000 1.142 250 R CA 1.954 58.070 56.100 0.027 0.000 0.953 250 R CB -0.427 29.888 30.300 0.025 0.000 0.860 250 R HN 0.696 nan 8.270 nan 0.000 0.438 251 Q N 0.675 120.444 119.800 -0.051 0.000 2.050 251 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 251 Q C 1.990 177.890 176.000 -0.167 0.000 0.980 251 Q CA 2.063 57.804 55.803 -0.103 0.000 0.840 251 Q CB -0.257 28.405 28.738 -0.128 0.000 0.898 251 Q HN 0.356 nan 8.270 nan 0.000 0.424 252 A N 0.024 122.691 122.820 -0.254 0.000 1.969 252 A HA -0.087 4.233 4.320 0.000 0.000 0.218 252 A C 2.104 179.587 177.584 -0.168 0.000 1.169 252 A CA 1.343 53.169 52.037 -0.351 0.000 0.635 252 A CB -0.656 17.946 19.000 -0.664 0.000 0.810 252 A HN 0.495 nan 8.150 nan 0.000 0.445 253 I N -0.644 119.891 120.570 -0.058 0.000 2.252 253 I HA -0.224 3.946 4.170 0.000 0.000 0.245 253 I C 2.524 178.664 176.117 0.039 0.000 1.102 253 I CA 1.614 62.935 61.300 0.036 0.000 1.385 253 I CB -0.218 37.840 38.000 0.097 0.000 1.064 253 I HN 0.328 nan 8.210 nan 0.000 0.414 254 K N 0.491 120.894 120.400 0.005 0.000 2.097 254 K HA -0.181 4.139 4.320 0.000 0.000 0.205 254 K C 2.349 178.920 176.600 -0.048 0.000 1.050 254 K CA 1.532 57.818 56.287 -0.001 0.000 0.938 254 K CB -0.027 32.466 32.500 -0.011 0.000 0.718 254 K HN 0.109 nan 8.250 nan 0.000 0.442 255 S N 0.797 116.436 115.700 -0.102 0.000 2.355 255 S HA -0.047 4.423 4.470 0.000 0.000 0.222 255 S C 1.863 176.356 174.600 -0.177 0.000 1.031 255 S CA 0.936 59.053 58.200 -0.137 0.000 0.993 255 S CB -0.104 62.984 63.200 -0.186 0.000 0.859 255 S HN 0.308 nan 8.310 nan 0.000 0.453 256 L N 0.644 121.721 121.223 -0.244 0.000 2.291 256 L HA -0.022 4.318 4.340 0.000 0.000 0.214 256 L C 2.539 179.049 176.870 -0.599 0.000 1.120 256 L CA 0.958 55.508 54.840 -0.485 0.000 0.799 256 L CB -0.603 41.084 42.059 -0.619 0.000 0.925 256 L HN 0.300 nan 8.230 nan 0.000 0.446 257 T N -0.990 113.446 114.554 -0.198 0.000 2.732 257 T HA -0.099 4.251 4.350 0.000 0.000 0.261 257 T C 1.774 176.481 174.700 0.013 0.000 1.040 257 T CA 1.014 63.145 62.100 0.052 0.000 1.145 257 T CB 0.009 68.969 68.868 0.153 0.000 0.866 257 T HN 0.257 nan 8.240 nan 0.000 0.427 258 E N 1.312 121.496 120.200 -0.026 0.000 2.072 258 E HA 0.002 4.352 4.350 0.000 0.000 0.190 258 E C 2.342 178.926 176.600 -0.028 0.000 0.982 258 E CA 0.921 57.313 56.400 -0.014 0.000 0.803 258 E CB -0.144 29.544 29.700 -0.020 0.000 0.755 258 E HN 0.451 nan 8.360 nan 0.000 0.453 259 R N -0.428 120.027 120.500 -0.075 0.000 2.189 259 R HA 0.107 4.448 4.340 0.000 0.000 0.203 259 R C 1.914 178.159 176.300 -0.091 0.000 1.012 259 R CA 0.389 56.445 56.100 -0.073 0.000 1.015 259 R CB 0.196 30.442 30.300 -0.091 0.000 0.938 259 R HN 0.051 nan 8.270 nan 0.000 0.472 260 L N -2.091 119.045 121.223 -0.145 0.000 2.666 260 L HA 0.185 4.525 4.340 0.000 0.000 0.184 260 L C 1.372 178.255 176.870 0.022 0.000 1.092 260 L CA 0.789 55.554 54.840 -0.126 0.000 0.857 260 L CB -0.321 41.588 42.059 -0.250 0.000 1.281 260 L HN -0.127 nan 8.230 nan 0.000 0.489 261 Y N 0.272 120.582 120.300 0.018 0.000 2.224 261 Y HA -0.079 4.471 4.550 0.000 0.000 0.289 261 Y C 2.619 178.524 175.900 0.008 0.000 1.146 261 Y CA 1.424 59.544 58.100 0.033 0.000 1.182 261 Y CB -0.783 37.722 38.460 0.075 0.000 0.983 261 Y HN 0.156 nan 8.280 nan 0.000 0.524 262 I N -1.210 119.449 120.570 0.148 0.000 2.353 262 I HA -0.003 4.167 4.170 0.000 0.000 0.248 262 I C 1.235 177.361 176.117 0.014 0.000 1.119 262 I CA 1.286 62.629 61.300 0.072 0.000 1.417 262 I CB -0.111 37.924 38.000 0.059 0.000 1.078 262 I HN 0.274 nan 8.210 nan 0.000 0.421 263 G N -1.269 107.519 108.800 -0.020 0.000 2.320 263 G HA2 0.509 4.469 3.960 0.000 0.000 0.296 263 G HA3 0.509 4.469 3.960 0.000 0.000 0.296 263 G C -1.077 173.661 174.900 -0.269 0.000 1.306 263 G CA -0.063 44.959 45.100 -0.131 0.000 0.836 263 G HN 0.407 nan 8.290 nan 0.000 0.517 264 G N -0.999 107.331 108.800 -0.785 0.000 2.336 264 G HA2 0.648 4.608 3.960 0.000 0.000 0.300 264 G HA3 0.648 4.608 3.960 0.000 0.000 0.300 264 G C -3.516 170.645 174.900 -1.233 0.000 1.375 264 G CA 0.008 44.596 45.100 -0.854 0.000 0.885 264 G HN 0.734 nan 8.290 nan 0.000 0.599 265 P HA 0.510 nan 4.420 nan 0.000 0.278 265 P C -0.452 176.736 177.300 -0.187 0.000 1.238 265 P CA -0.282 62.659 63.100 -0.266 0.000 0.794 265 P CB 1.255 32.958 31.700 0.006 0.000 0.955 266 L N 2.076 123.242 121.223 -0.095 0.000 2.317 266 L HA 0.528 4.868 4.340 0.000 0.000 0.281 266 L C 0.409 177.280 176.870 0.002 0.000 1.024 266 L CA -0.191 54.626 54.840 -0.039 0.000 0.810 266 L CB 1.601 43.676 42.059 0.028 0.000 1.240 266 L HN 0.301 nan 8.230 nan 0.000 0.427 267 T N 1.094 115.629 114.554 -0.031 0.000 2.881 267 T HA 0.322 4.672 4.350 0.000 0.000 0.290 267 T C -0.410 174.264 174.700 -0.044 0.000 1.000 267 T CA -0.921 61.163 62.100 -0.028 0.000 0.978 267 T CB 1.546 70.385 68.868 -0.049 0.000 0.997 267 T HN 0.647 nan 8.240 nan 0.000 0.443 268 N N 0.779 119.473 118.700 -0.011 0.000 2.379 268 N HA 0.152 4.892 4.740 0.000 0.000 0.260 268 N C 1.542 177.039 175.510 -0.020 0.000 1.254 268 N CA -0.208 52.835 53.050 -0.011 0.000 0.958 268 N CB 0.237 38.731 38.487 0.011 0.000 1.208 268 N HN 0.473 nan 8.380 nan 0.000 0.532 269 S N -0.495 115.205 115.700 0.001 0.000 2.419 269 S HA -0.200 4.270 4.470 0.000 0.000 0.235 269 S C 1.239 175.842 174.600 0.005 0.000 1.019 269 S CA 0.913 59.123 58.200 0.017 0.000 0.982 269 S CB -0.453 62.774 63.200 0.046 0.000 0.789 269 S HN 0.620 nan 8.310 nan 0.000 0.490 270 K N 0.675 121.076 120.400 0.001 0.000 2.155 270 K HA 0.161 4.481 4.320 0.000 0.000 0.203 270 K C 1.567 178.159 176.600 -0.014 0.000 1.052 270 K CA 0.737 57.022 56.287 -0.003 0.000 0.948 270 K CB -0.332 32.168 32.500 0.001 0.000 0.728 270 K HN 0.631 nan 8.250 nan 0.000 0.448 271 G N 1.115 109.904 108.800 -0.017 0.000 2.205 271 G HA2 -0.182 3.778 3.960 0.000 0.000 0.180 271 G HA3 -0.182 3.778 3.960 0.000 0.000 0.180 271 G C -0.376 174.516 174.900 -0.013 0.000 1.004 271 G CA -0.537 44.548 45.100 -0.026 0.000 0.670 271 G HN 0.224 nan 8.290 nan 0.000 0.496 272 Q N 0.669 120.469 119.800 -0.001 0.000 2.293 272 Q HA 0.265 4.605 4.340 0.000 0.000 0.251 272 Q C 0.062 176.076 176.000 0.024 0.000 0.930 272 Q CA -0.519 55.292 55.803 0.013 0.000 0.893 272 Q CB 1.024 29.773 28.738 0.018 0.000 1.215 272 Q HN 0.306 nan 8.270 nan 0.000 0.425 273 N N 1.879 120.600 118.700 0.034 0.000 2.416 273 N HA -0.022 4.718 4.740 0.000 0.000 0.265 273 N C -0.113 175.448 175.510 0.085 0.000 1.195 273 N CA -0.118 52.962 53.050 0.051 0.000 0.943 273 N CB 0.666 39.184 38.487 0.051 0.000 1.115 273 N HN 0.622 nan 8.380 nan 0.000 0.481 274 C N 2.844 122.211 119.300 0.113 0.000 2.504 274 C HA 0.346 4.806 4.460 0.000 0.000 0.279 274 C C 1.317 176.480 174.990 0.289 0.000 1.358 274 C CA 0.896 60.039 59.018 0.208 0.000 1.747 274 C CB -0.908 26.983 27.740 0.251 0.000 2.037 274 C HN 0.932 nan 8.230 nan 0.000 0.503 275 G N -2.109 106.788 108.800 0.161 0.000 2.398 275 G HA2 0.287 4.247 3.960 0.000 0.000 0.251 275 G HA3 0.287 4.247 3.960 0.000 0.000 0.251 275 G C -2.094 172.829 174.900 0.039 0.000 1.277 275 G CA -0.356 44.793 45.100 0.081 0.000 0.927 275 G HN 0.053 nan 8.290 nan 0.000 0.477 276 Y N 0.892 121.067 120.300 -0.208 0.000 2.386 276 Y HA 0.715 5.265 4.550 0.000 0.000 0.334 276 Y C 0.090 175.827 175.900 -0.271 0.000 1.002 276 Y CA -0.833 57.158 58.100 -0.182 0.000 1.068 276 Y CB 1.855 40.229 38.460 -0.142 0.000 1.203 276 Y HN 0.659 nan 8.280 nan 0.000 0.443 277 R N 5.359 125.614 120.500 -0.409 0.000 2.265 277 R HA 0.485 4.825 4.340 0.000 0.000 0.319 277 R C -0.589 175.501 176.300 -0.349 0.000 1.006 277 R CA -0.468 55.342 56.100 -0.483 0.000 0.880 277 R CB 0.769 30.834 30.300 -0.391 0.000 1.077 277 R HN 0.906 nan 8.270 nan 0.000 0.454 278 R N 3.298 123.585 120.500 -0.355 0.000 2.629 278 R HA 0.192 4.532 4.340 0.000 0.000 0.386 278 R C -0.246 175.921 176.300 -0.221 0.000 1.071 278 R CA -0.299 55.694 56.100 -0.178 0.000 1.104 278 R CB 0.380 30.621 30.300 -0.099 0.000 1.370 278 R HN 0.762 nan 8.270 nan 0.000 0.574 279 C N -1.516 117.594 119.300 -0.317 0.000 3.277 279 C HA 0.636 5.096 4.460 0.000 0.000 0.367 279 C C -0.011 174.902 174.990 -0.128 0.000 1.949 279 C CA -1.484 57.397 59.018 -0.228 0.000 1.428 279 C CB 1.054 28.603 27.740 -0.318 0.000 2.409 279 C HN 0.308 nan 8.230 nan 0.000 0.460 280 R N 1.173 121.648 120.500 -0.040 0.000 2.570 280 R HA 0.499 4.839 4.340 0.000 0.000 0.277 280 R C -0.079 176.262 176.300 0.069 0.000 1.039 280 R CA 0.899 57.025 56.100 0.043 0.000 1.065 280 R CB -0.029 30.338 30.300 0.111 0.000 0.964 280 R HN 1.143 nan 8.270 nan 0.000 0.428 281 A N 3.303 126.178 122.820 0.093 0.000 2.328 281 A HA 0.274 4.594 4.320 0.000 0.000 0.284 281 A C 0.828 178.503 177.584 0.152 0.000 1.160 281 A CA -0.053 52.062 52.037 0.131 0.000 0.818 281 A CB 0.666 19.749 19.000 0.138 0.000 1.087 281 A HN 1.005 nan 8.150 nan 0.000 0.504 282 S N 1.876 117.684 115.700 0.180 0.000 2.527 282 S HA 0.127 4.597 4.470 0.000 0.000 0.222 282 S C 0.978 175.679 174.600 0.168 0.000 0.985 282 S CA 0.642 58.947 58.200 0.175 0.000 0.921 282 S CB 0.105 63.418 63.200 0.189 0.000 0.772 282 S HN 1.303 nan 8.310 nan 0.000 0.529 283 G N 1.957 110.877 108.800 0.199 0.000 4.975 283 G HA2 0.535 4.495 3.960 0.000 0.000 0.312 283 G HA3 0.535 4.495 3.960 0.000 0.000 0.312 283 G C -0.330 174.694 174.900 0.207 0.000 1.425 283 G CA -0.257 44.968 45.100 0.207 0.000 1.076 283 G HN 0.577 nan 8.290 nan 0.000 0.586 284 V N -1.533 118.480 119.914 0.165 0.000 2.960 284 V HA 0.583 4.703 4.120 0.000 0.000 0.315 284 V C 1.355 177.516 176.094 0.110 0.000 1.087 284 V CA -0.972 61.435 62.300 0.177 0.000 0.982 284 V CB 1.799 33.763 31.823 0.235 0.000 1.039 284 V HN 0.146 nan 8.190 nan 0.000 0.437 285 L N 2.697 123.998 121.223 0.130 0.000 2.127 285 L HA -0.066 4.274 4.340 0.000 0.000 0.211 285 L C 2.272 179.155 176.870 0.021 0.000 1.089 285 L CA 3.089 57.992 54.840 0.105 0.000 0.757 285 L CB -0.634 41.511 42.059 0.144 0.000 0.899 285 L HN 1.085 nan 8.230 nan 0.000 0.434 286 T N -5.891 108.597 114.554 -0.111 0.000 3.129 286 T HA 0.011 4.361 4.350 0.000 0.000 0.251 286 T C 1.570 176.208 174.700 -0.104 0.000 1.117 286 T CA 0.690 62.678 62.100 -0.187 0.000 1.034 286 T CB -0.715 67.875 68.868 -0.463 0.000 0.968 286 T HN 0.296 nan 8.240 nan 0.000 0.526 287 T N 2.152 116.677 114.554 -0.048 0.000 2.607 287 T HA -0.187 4.163 4.350 0.000 0.000 0.267 287 T C 2.202 176.923 174.700 0.035 0.000 1.049 287 T CA 1.881 63.993 62.100 0.020 0.000 1.162 287 T CB -0.746 68.161 68.868 0.065 0.000 0.863 287 T HN 0.541 nan 8.240 nan 0.000 0.424 288 S N -0.273 115.426 115.700 -0.001 0.000 2.356 288 S HA -0.155 4.315 4.470 0.000 0.000 0.223 288 S C 2.447 177.063 174.600 0.026 0.000 1.032 288 S CA 1.494 59.679 58.200 -0.025 0.000 1.005 288 S CB -0.936 62.144 63.200 -0.200 0.000 0.867 288 S HN 0.680 nan 8.310 nan 0.000 0.449 289 C N 1.238 120.529 119.300 -0.014 0.000 2.446 289 C HA 0.179 4.639 4.460 0.000 0.000 0.277 289 C C 2.840 177.868 174.990 0.063 0.000 1.275 289 C CA 0.971 59.996 59.018 0.012 0.000 1.727 289 C CB -1.782 25.941 27.740 -0.029 0.000 2.010 289 C HN 0.700 nan 8.230 nan 0.000 0.486 290 G N 0.445 109.291 108.800 0.076 0.000 2.422 290 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 290 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 290 G C 1.508 176.485 174.900 0.129 0.000 1.146 290 G CA 0.993 46.143 45.100 0.084 0.000 0.769 290 G HN 0.590 nan 8.290 nan 0.000 0.547 291 N N 0.166 118.950 118.700 0.139 0.000 2.331 291 N HA -0.035 4.705 4.740 0.000 0.000 0.180 291 N C 2.300 177.847 175.510 0.061 0.000 1.019 291 N CA 1.314 54.456 53.050 0.154 0.000 0.881 291 N CB -0.290 38.215 38.487 0.031 0.000 0.972 291 N HN 0.241 nan 8.380 nan 0.000 0.435 292 T N 0.809 115.419 114.554 0.094 0.000 2.896 292 T HA 0.125 4.475 4.350 0.000 0.000 0.263 292 T C 2.082 176.846 174.700 0.108 0.000 1.050 292 T CA 0.403 62.569 62.100 0.111 0.000 1.140 292 T CB 0.022 69.027 68.868 0.229 0.000 0.877 292 T HN 0.095 nan 8.240 nan 0.000 0.457 293 L N 0.616 121.884 121.223 0.075 0.000 2.072 293 L HA -0.054 4.286 4.340 0.000 0.000 0.205 293 L C 2.943 179.895 176.870 0.136 0.000 1.079 293 L CA 1.073 55.952 54.840 0.065 0.000 0.752 293 L CB -0.918 41.133 42.059 -0.014 0.000 0.906 293 L HN 0.220 nan 8.230 nan 0.000 0.436 294 T N -1.242 113.411 114.554 0.166 0.000 2.737 294 T HA -0.231 4.119 4.350 0.000 0.000 0.265 294 T C 2.024 176.904 174.700 0.301 0.000 1.038 294 T CA 1.534 63.764 62.100 0.215 0.000 1.144 294 T CB -0.349 68.677 68.868 0.264 0.000 0.866 294 T HN 0.443 nan 8.240 nan 0.000 0.434 295 C N 0.524 120.063 119.300 0.399 0.000 2.429 295 C HA -0.091 4.369 4.460 0.000 0.000 0.277 295 C C 2.352 177.479 174.990 0.230 0.000 1.262 295 C CA 0.522 59.755 59.018 0.359 0.000 1.733 295 C CB -1.406 26.394 27.740 0.100 0.000 2.010 295 C HN 0.654 nan 8.230 nan 0.000 0.483 296 Y N 0.921 121.263 120.300 0.071 0.000 2.145 296 Y HA -0.107 4.443 4.550 0.000 0.000 0.286 296 Y C 2.189 178.086 175.900 -0.006 0.000 1.145 296 Y CA 2.119 60.237 58.100 0.030 0.000 1.148 296 Y CB -0.688 37.776 38.460 0.006 0.000 0.981 296 Y HN 0.327 nan 8.280 nan 0.000 0.507 297 L N 0.934 122.187 121.223 0.050 0.000 1.989 297 L HA -0.219 4.121 4.340 0.000 0.000 0.211 297 L C 2.149 178.889 176.870 -0.217 0.000 1.071 297 L CA 2.102 56.861 54.840 -0.136 0.000 0.749 297 L CB -0.907 41.068 42.059 -0.139 0.000 0.890 297 L HN 0.144 nan 8.230 nan 0.000 0.431 298 K N -0.655 119.676 120.400 -0.114 0.000 2.025 298 K HA -0.060 4.260 4.320 0.000 0.000 0.207 298 K C 2.092 178.609 176.600 -0.138 0.000 1.049 298 K CA 1.334 57.517 56.287 -0.173 0.000 0.933 298 K CB -0.434 32.072 32.500 0.009 0.000 0.714 298 K HN 0.490 nan 8.250 nan 0.000 0.438 299 A N 0.925 123.696 122.820 -0.081 0.000 1.902 299 A HA -0.152 4.168 4.320 0.000 0.000 0.217 299 A C 2.233 179.797 177.584 -0.034 0.000 1.181 299 A CA 1.793 53.799 52.037 -0.052 0.000 0.623 299 A CB -0.577 18.514 19.000 0.150 0.000 0.818 299 A HN 0.161 nan 8.150 nan 0.000 0.443 300 S N -0.285 115.309 115.700 -0.176 0.000 2.353 300 S HA -0.084 4.386 4.470 0.000 0.000 0.222 300 S C 2.331 176.844 174.600 -0.146 0.000 1.035 300 S CA 1.345 59.410 58.200 -0.224 0.000 1.025 300 S CB -0.487 62.447 63.200 -0.445 0.000 0.902 300 S HN 0.808 nan 8.310 nan 0.000 0.440 301 A N 1.103 123.832 122.820 -0.153 0.000 1.972 301 A HA 0.132 4.452 4.320 0.000 0.000 0.219 301 A C 2.244 179.847 177.584 0.031 0.000 1.169 301 A CA 1.668 53.669 52.037 -0.059 0.000 0.635 301 A CB -0.830 18.127 19.000 -0.073 0.000 0.810 301 A HN 0.522 nan 8.150 nan 0.000 0.446 302 A N -1.506 121.325 122.820 0.020 0.000 2.014 302 A HA -0.059 4.261 4.320 0.000 0.000 0.218 302 A C 2.159 179.725 177.584 -0.029 0.000 1.163 302 A CA 1.350 53.304 52.037 -0.139 0.000 0.652 302 A CB -1.016 17.584 19.000 -0.667 0.000 0.808 302 A HN 0.562 nan 8.150 nan 0.000 0.449 303 C N -0.818 118.552 119.300 0.117 0.000 2.435 303 C HA -0.014 4.446 4.460 0.000 0.000 0.279 303 C C 2.855 177.861 174.990 0.026 0.000 1.321 303 C CA 0.905 60.061 59.018 0.231 0.000 1.752 303 C CB -1.185 26.666 27.740 0.185 0.000 1.959 303 C HN 0.601 nan 8.230 nan 0.000 0.500 304 R N 0.819 121.225 120.500 -0.157 0.000 2.093 304 R HA 0.014 4.355 4.340 0.000 0.000 0.224 304 R C 2.412 178.506 176.300 -0.344 0.000 1.101 304 R CA 1.320 57.210 56.100 -0.349 0.000 0.979 304 R CB -0.444 29.433 30.300 -0.704 0.000 0.877 304 R HN 0.481 nan 8.270 nan 0.000 0.441 305 A N 1.504 124.148 122.820 -0.293 0.000 1.902 305 A HA -0.084 4.236 4.320 0.000 0.000 0.217 305 A C 2.279 179.879 177.584 0.027 0.000 1.181 305 A CA 1.690 53.722 52.037 -0.007 0.000 0.623 305 A CB -0.518 18.519 19.000 0.060 0.000 0.818 305 A HN 0.370 nan 8.150 nan 0.000 0.443 306 A N -1.202 121.642 122.820 0.040 0.000 2.209 306 A HA 0.142 4.462 4.320 0.000 0.000 0.212 306 A C 1.086 178.698 177.584 0.046 0.000 1.158 306 A CA 1.008 53.087 52.037 0.070 0.000 0.742 306 A CB -0.479 18.618 19.000 0.161 0.000 0.790 306 A HN 0.522 nan 8.150 nan 0.000 0.472 307 K N -1.300 119.118 120.400 0.030 0.000 3.071 307 K HA -0.173 4.147 4.320 0.000 0.000 0.265 307 K C -0.787 175.827 176.600 0.024 0.000 1.060 307 K CA 0.475 56.776 56.287 0.023 0.000 0.767 307 K CB -2.081 30.434 32.500 0.026 0.000 1.241 307 K HN 0.529 nan 8.250 nan 0.000 0.486 308 L N 1.855 123.101 121.223 0.037 0.000 2.455 308 L HA 0.010 4.350 4.340 0.000 0.000 0.272 308 L C 1.038 177.922 176.870 0.022 0.000 1.174 308 L CA 0.012 54.873 54.840 0.036 0.000 0.869 308 L CB 0.399 42.499 42.059 0.070 0.000 1.130 308 L HN 0.059 nan 8.230 nan 0.000 0.474 309 Q N 2.982 122.788 119.800 0.010 0.000 2.288 309 Q HA 0.047 4.387 4.340 0.000 0.000 0.258 309 Q C -0.161 175.833 176.000 -0.010 0.000 0.957 309 Q CA -0.215 55.587 55.803 -0.002 0.000 0.919 309 Q CB 0.893 29.625 28.738 -0.009 0.000 1.185 309 Q HN 0.469 nan 8.270 nan 0.000 0.408 310 D N 1.245 121.639 120.400 -0.009 0.000 2.803 310 D HA -0.184 4.456 4.640 0.000 0.000 0.233 310 D C -1.055 175.235 176.300 -0.017 0.000 1.182 310 D CA 0.192 54.183 54.000 -0.015 0.000 0.726 310 D CB -0.815 39.967 40.800 -0.030 0.000 0.987 310 D HN 0.531 nan 8.370 nan 0.000 0.412 311 C N 1.519 120.820 119.300 0.000 0.000 2.632 311 C HA 0.405 4.865 4.460 0.000 0.000 0.415 311 C C 1.074 176.069 174.990 0.008 0.000 1.332 311 C CA -0.402 58.618 59.018 0.003 0.000 1.874 311 C CB 0.400 28.154 27.740 0.024 0.000 2.596 311 C HN 0.441 nan 8.230 nan 0.000 0.590 312 T N 6.014 120.567 114.554 -0.002 0.000 2.788 312 T HA 0.406 4.756 4.350 0.000 0.000 0.296 312 T C -0.004 174.730 174.700 0.056 0.000 1.009 312 T CA -0.135 61.991 62.100 0.045 0.000 0.949 312 T CB 0.429 69.299 68.868 0.004 0.000 0.946 312 T HN 0.531 nan 8.240 nan 0.000 0.453 313 M N 3.510 123.174 119.600 0.106 0.000 2.314 313 M HA 0.540 5.020 4.480 0.000 0.000 0.342 313 M C -0.821 175.592 176.300 0.187 0.000 1.171 313 M CA -0.971 54.385 55.300 0.094 0.000 1.098 313 M CB 1.364 34.015 32.600 0.085 0.000 1.559 313 M HN 0.320 nan 8.290 nan 0.000 0.459 314 L N 3.408 124.706 121.223 0.124 0.000 2.376 314 L HA 0.641 4.981 4.340 0.000 0.000 0.275 314 L C -1.382 175.479 176.870 -0.014 0.000 0.987 314 L CA -0.463 54.429 54.840 0.086 0.000 0.828 314 L CB 1.811 43.965 42.059 0.158 0.000 1.249 314 L HN 0.497 nan 8.230 nan 0.000 0.409 315 V N 4.271 124.153 119.914 -0.054 0.000 2.483 315 V HA 0.544 4.664 4.120 0.000 0.000 0.297 315 V C -0.812 175.106 176.094 -0.294 0.000 1.027 315 V CA -0.632 61.619 62.300 -0.082 0.000 0.855 315 V CB 1.761 33.631 31.823 0.079 0.000 0.995 315 V HN 0.787 nan 8.190 nan 0.000 0.424 316 N N 4.017 122.479 118.700 -0.397 0.000 2.696 316 N HA 0.620 5.360 4.740 0.000 0.000 0.246 316 N C 0.681 176.067 175.510 -0.207 0.000 1.057 316 N CA 0.512 53.105 53.050 -0.761 0.000 0.867 316 N CB 1.665 39.508 38.487 -1.074 0.000 1.141 316 N HN 1.024 nan 8.380 nan 0.000 0.517 317 G N 2.442 111.282 108.800 0.066 0.000 2.629 317 G HA2 -0.430 3.530 3.960 0.000 0.000 0.313 317 G HA3 -0.430 3.530 3.960 0.000 0.000 0.313 317 G C 0.737 175.476 174.900 -0.268 0.000 1.217 317 G CA 0.740 45.855 45.100 0.026 0.000 0.994 317 G HN 0.598 nan 8.290 nan 0.000 0.549 318 D N 1.242 121.403 120.400 -0.399 0.000 2.312 318 D HA -0.016 4.624 4.640 0.000 0.000 0.211 318 D C 0.633 176.780 176.300 -0.255 0.000 0.964 318 D CA 1.098 54.682 54.000 -0.693 0.000 0.877 318 D CB -0.317 40.230 40.800 -0.422 0.000 0.924 318 D HN 0.446 nan 8.370 nan 0.000 0.515 319 D N 0.630 120.948 120.400 -0.137 0.000 2.339 319 D HA 0.216 4.856 4.640 0.000 0.000 0.256 319 D C -0.895 175.370 176.300 -0.058 0.000 1.214 319 D CA -0.404 53.557 54.000 -0.065 0.000 0.877 319 D CB 0.776 41.533 40.800 -0.072 0.000 1.111 319 D HN 0.045 nan 8.370 nan 0.000 0.478 320 L N 5.557 126.789 121.223 0.015 0.000 2.376 320 L HA 0.446 4.786 4.340 0.000 0.000 0.275 320 L C -1.608 175.247 176.870 -0.025 0.000 0.987 320 L CA -0.692 54.167 54.840 0.032 0.000 0.828 320 L CB 1.822 43.973 42.059 0.152 0.000 1.249 320 L HN 0.113 nan 8.230 nan 0.000 0.409 321 V N 6.258 126.118 119.914 -0.090 0.000 2.604 321 V HA 0.773 4.893 4.120 0.000 0.000 0.305 321 V C -1.269 174.664 176.094 -0.268 0.000 1.043 321 V CA -0.365 61.819 62.300 -0.193 0.000 0.888 321 V CB 2.284 34.032 31.823 -0.125 0.000 0.995 321 V HN 0.560 nan 8.190 nan 0.000 0.429 322 V N 7.951 127.522 119.914 -0.573 0.000 2.443 322 V HA 0.554 4.674 4.120 0.000 0.000 0.293 322 V C -0.328 175.523 176.094 -0.405 0.000 1.021 322 V CA -0.419 61.546 62.300 -0.557 0.000 0.848 322 V CB 1.531 32.807 31.823 -0.910 0.000 0.998 322 V HN 0.736 nan 8.190 nan 0.000 0.424 323 I N 5.433 125.912 120.570 -0.152 0.000 2.378 323 I HA 0.687 4.857 4.170 0.000 0.000 0.291 323 I C 0.161 176.242 176.117 -0.061 0.000 0.992 323 I CA -0.264 61.006 61.300 -0.049 0.000 1.154 323 I CB 1.457 39.470 38.000 0.022 0.000 1.315 323 I HN 0.874 nan 8.210 nan 0.000 0.448 324 C N 2.626 121.895 119.300 -0.052 0.000 3.336 324 C HA 0.587 5.048 4.460 0.000 0.000 0.352 324 C C -0.444 174.490 174.990 -0.092 0.000 1.567 324 C CA -0.949 58.040 59.018 -0.048 0.000 1.328 324 C CB 1.705 29.455 27.740 0.017 0.000 1.922 324 C HN 0.613 nan 8.230 nan 0.000 0.439 325 E N 1.629 121.786 120.200 -0.070 0.000 2.338 325 E HA 0.308 4.658 4.350 0.000 0.000 0.272 325 E C 0.013 176.592 176.600 -0.036 0.000 1.029 325 E CA 0.438 56.791 56.400 -0.077 0.000 0.872 325 E CB 1.602 31.266 29.700 -0.060 0.000 1.015 325 E HN 0.712 nan 8.360 nan 0.000 0.417 326 S N 1.238 116.923 115.700 -0.026 0.000 2.580 326 S HA 0.356 4.826 4.470 0.000 0.000 0.274 326 S C 0.541 175.154 174.600 0.021 0.000 1.329 326 S CA 0.137 58.365 58.200 0.046 0.000 1.036 326 S CB 0.927 64.203 63.200 0.126 0.000 0.919 326 S HN 0.535 nan 8.310 nan 0.000 0.515 327 A N 3.033 125.873 122.820 0.034 0.000 2.324 327 A HA 0.669 4.989 4.320 0.000 0.000 0.220 327 A C 0.890 178.478 177.584 0.006 0.000 1.209 327 A CA 0.378 52.422 52.037 0.012 0.000 0.918 327 A CB -0.296 18.710 19.000 0.010 0.000 0.959 327 A HN 1.755 nan 8.150 nan 0.000 0.507 328 G N -2.054 106.759 108.800 0.022 0.000 2.351 328 G HA2 0.218 4.179 3.960 0.000 0.000 0.472 328 G HA3 0.218 4.179 3.960 0.000 0.000 0.472 328 G C 0.301 175.213 174.900 0.020 0.000 1.570 328 G CA 0.282 45.372 45.100 -0.016 0.000 0.921 328 G HN 0.475 nan 8.290 nan 0.000 0.674 329 T N -0.429 114.090 114.554 -0.057 0.000 2.792 329 T HA -0.219 4.131 4.350 0.000 0.000 0.268 329 T C 1.978 176.723 174.700 0.077 0.000 1.059 329 T CA 2.844 64.962 62.100 0.030 0.000 1.136 329 T CB -0.110 68.700 68.868 -0.097 0.000 0.846 329 T HN 0.463 nan 8.240 nan 0.000 0.489 330 Q N -0.032 119.785 119.800 0.027 0.000 2.226 330 Q HA 0.059 4.399 4.340 0.000 0.000 0.199 330 Q C 2.300 178.312 176.000 0.020 0.000 0.945 330 Q CA 1.060 56.875 55.803 0.021 0.000 0.861 330 Q CB 0.039 28.779 28.738 0.003 0.000 0.953 330 Q HN 0.753 nan 8.270 nan 0.000 0.490 331 E N 0.479 120.690 120.200 0.018 0.000 2.152 331 E HA -0.128 4.222 4.350 0.000 0.000 0.192 331 E C 1.252 177.860 176.600 0.014 0.000 0.983 331 E CA 0.776 57.184 56.400 0.013 0.000 0.818 331 E CB 0.103 29.808 29.700 0.009 0.000 0.758 331 E HN 0.279 nan 8.360 nan 0.000 0.467 332 D N 1.491 121.912 120.400 0.036 0.000 2.117 332 D HA -0.083 4.557 4.640 0.000 0.000 0.198 332 D C 1.905 178.188 176.300 -0.028 0.000 0.982 332 D CA 1.241 55.252 54.000 0.019 0.000 0.828 332 D CB -0.196 40.662 40.800 0.096 0.000 0.967 332 D HN 0.153 nan 8.370 nan 0.000 0.464 333 A N 0.512 123.334 122.820 0.003 0.000 2.225 333 A HA 0.081 4.402 4.320 0.000 0.000 0.215 333 A C 2.094 179.664 177.584 -0.023 0.000 1.164 333 A CA 1.593 53.620 52.037 -0.016 0.000 0.710 333 A CB -0.246 18.762 19.000 0.013 0.000 0.780 333 A HN 0.228 nan 8.150 nan 0.000 0.473 334 A N -1.120 121.689 122.820 -0.018 0.000 1.956 334 A HA 0.151 4.471 4.320 0.000 0.000 0.212 334 A C 2.335 179.908 177.584 -0.019 0.000 1.188 334 A CA 1.310 53.340 52.037 -0.013 0.000 0.675 334 A CB -0.528 18.469 19.000 -0.004 0.000 0.845 334 A HN 0.387 nan 8.150 nan 0.000 0.455 335 S N 0.541 116.220 115.700 -0.034 0.000 2.356 335 S HA -0.096 4.374 4.470 0.000 0.000 0.223 335 S C 1.731 176.299 174.600 -0.054 0.000 1.032 335 S CA 1.464 59.642 58.200 -0.037 0.000 1.005 335 S CB -0.452 62.714 63.200 -0.057 0.000 0.867 335 S HN 0.502 nan 8.310 nan 0.000 0.449 336 L N 1.025 122.156 121.223 -0.154 0.000 2.362 336 L HA -0.042 4.299 4.340 0.000 0.000 0.219 336 L C 2.550 179.419 176.870 -0.002 0.000 1.134 336 L CA 0.798 55.519 54.840 -0.198 0.000 0.807 336 L CB -0.530 41.306 42.059 -0.372 0.000 0.927 336 L HN 0.278 nan 8.230 nan 0.000 0.447 337 R N -0.158 120.343 120.500 0.001 0.000 2.062 337 R HA -0.094 4.246 4.340 0.000 0.000 0.231 337 R C 2.274 178.599 176.300 0.042 0.000 1.136 337 R CA 1.259 57.375 56.100 0.028 0.000 0.948 337 R CB -0.694 29.611 30.300 0.009 0.000 0.845 337 R HN 0.157 nan 8.270 nan 0.000 0.430 338 V N 1.199 121.133 119.914 0.033 0.000 2.332 338 V HA -0.258 3.862 4.120 0.000 0.000 0.248 338 V C 2.072 178.189 176.094 0.038 0.000 1.055 338 V CA 1.836 64.151 62.300 0.025 0.000 1.038 338 V CB -0.668 31.170 31.823 0.026 0.000 0.651 338 V HN 0.206 nan 8.190 nan 0.000 0.450 339 F N 1.562 121.471 119.950 -0.068 0.000 2.095 339 F HA -0.224 4.303 4.527 0.000 0.000 0.298 339 F C 2.428 178.188 175.800 -0.068 0.000 1.104 339 F CA 2.311 60.269 58.000 -0.071 0.000 1.232 339 F CB -0.405 38.534 39.000 -0.103 0.000 0.987 339 F HN 0.122 nan 8.300 nan 0.000 0.475 340 T N -0.336 114.339 114.554 0.202 0.000 2.857 340 T HA -0.145 4.205 4.350 0.000 0.000 0.266 340 T C 1.686 176.408 174.700 0.037 0.000 1.048 340 T CA 1.514 63.741 62.100 0.213 0.000 1.139 340 T CB -0.301 68.764 68.868 0.329 0.000 0.874 340 T HN 0.353 nan 8.240 nan 0.000 0.455 341 E N 1.069 121.264 120.200 -0.009 0.000 2.077 341 E HA -0.059 4.291 4.350 0.000 0.000 0.193 341 E C 2.524 179.024 176.600 -0.168 0.000 0.989 341 E CA 1.016 57.378 56.400 -0.064 0.000 0.800 341 E CB -0.195 29.476 29.700 -0.049 0.000 0.746 341 E HN 0.479 nan 8.360 nan 0.000 0.452 342 A N 1.029 123.708 122.820 -0.235 0.000 1.873 342 A HA -0.180 4.140 4.320 0.000 0.000 0.215 342 A C 2.143 179.395 177.584 -0.553 0.000 1.186 342 A CA 1.194 52.974 52.037 -0.428 0.000 0.616 342 A CB -0.325 18.477 19.000 -0.331 0.000 0.823 342 A HN 0.127 nan 8.150 nan 0.000 0.442 343 M N -0.155 119.225 119.600 -0.367 0.000 2.108 343 M HA -0.134 4.346 4.480 0.000 0.000 0.261 343 M C 2.175 178.439 176.300 -0.061 0.000 1.066 343 M CA 2.102 57.283 55.300 -0.197 0.000 1.107 343 M CB -1.888 30.465 32.600 -0.413 0.000 1.356 343 M HN 0.463 nan 8.290 nan 0.000 0.406 344 T N -0.063 114.448 114.554 -0.071 0.000 2.777 344 T HA -0.099 4.251 4.350 0.000 0.000 0.266 344 T C 1.957 176.600 174.700 -0.095 0.000 1.040 344 T CA 1.031 63.110 62.100 -0.036 0.000 1.141 344 T CB -0.178 68.675 68.868 -0.025 0.000 0.868 344 T HN 0.378 nan 8.240 nan 0.000 0.444 345 R N 0.086 120.459 120.500 -0.211 0.000 2.120 345 R HA -0.065 4.276 4.340 0.000 0.000 0.234 345 R C 1.625 177.802 176.300 -0.204 0.000 1.123 345 R CA 1.138 57.087 56.100 -0.252 0.000 0.975 345 R CB -0.320 29.752 30.300 -0.381 0.000 0.866 345 R HN 0.449 nan 8.270 nan 0.000 0.446 346 Y N 0.356 120.597 120.300 -0.097 0.000 2.502 346 Y HA 0.058 4.608 4.550 0.000 0.000 0.295 346 Y C 0.811 176.656 175.900 -0.091 0.000 1.193 346 Y CA -0.143 57.886 58.100 -0.119 0.000 1.295 346 Y CB -0.286 38.125 38.460 -0.082 0.000 1.059 346 Y HN -0.032 nan 8.280 nan 0.000 0.514 347 S N 0.292 116.021 115.700 0.048 0.000 3.766 347 S HA -0.102 4.369 4.470 0.000 0.000 0.416 347 S C -0.086 174.530 174.600 0.027 0.000 0.902 347 S CA 0.421 58.639 58.200 0.031 0.000 1.283 347 S CB -1.344 61.872 63.200 0.027 0.000 0.891 347 S HN 0.790 nan 8.310 nan 0.000 0.556 348 A N 2.716 125.568 122.820 0.055 0.000 3.474 348 A HA 0.578 4.898 4.320 0.000 0.000 0.251 348 A C -2.343 175.356 177.584 0.193 0.000 1.062 348 A CA -0.626 51.465 52.037 0.091 0.000 0.945 348 A CB 0.902 19.977 19.000 0.125 0.000 1.296 348 A HN 0.485 nan 8.150 nan 0.000 0.592 349 P HA 0.282 nan 4.420 nan 0.000 0.272 349 P C -2.831 174.512 177.300 0.071 0.000 1.223 349 P CA -0.965 62.180 63.100 0.075 0.000 0.784 349 P CB 0.387 32.057 31.700 -0.050 0.000 0.923 350 P HA 0.104 nan 4.420 nan 0.000 0.274 350 P C 0.469 177.700 177.300 -0.115 0.000 1.231 350 P CA 0.146 63.154 63.100 -0.153 0.000 0.790 350 P CB 0.837 32.471 31.700 -0.110 0.000 0.951 351 G N 1.262 109.978 108.800 -0.140 0.000 2.571 351 G HA2 0.060 4.020 3.960 0.000 0.000 0.225 351 G HA3 0.060 4.020 3.960 0.000 0.000 0.225 351 G C -0.336 174.519 174.900 -0.075 0.000 1.731 351 G CA 0.078 45.132 45.100 -0.077 0.000 0.858 351 G HN 0.407 nan 8.290 nan 0.000 0.611 352 D N 2.646 123.000 120.400 -0.077 0.000 2.371 352 D HA 0.315 4.955 4.640 0.000 0.000 0.256 352 D C -2.049 174.204 176.300 -0.078 0.000 1.193 352 D CA -1.016 52.949 54.000 -0.059 0.000 0.881 352 D CB 1.450 42.226 40.800 -0.040 0.000 1.143 352 D HN 0.058 nan 8.370 nan 0.000 0.473 353 P HA 0.176 nan 4.420 nan 0.000 0.276 353 P C -2.588 174.719 177.300 0.012 0.000 1.230 353 P CA -1.449 61.640 63.100 -0.019 0.000 0.776 353 P CB 0.050 31.750 31.700 -0.002 0.000 0.888 354 P HA 0.066 nan 4.420 nan 0.000 0.270 354 P C -0.463 176.853 177.300 0.027 0.000 1.242 354 P CA 0.313 63.481 63.100 0.112 0.000 0.768 354 P CB 0.417 32.260 31.700 0.238 0.000 0.820 355 Q N 4.247 124.070 119.800 0.038 0.000 2.241 355 Q HA 0.402 4.742 4.340 0.000 0.000 0.254 355 Q C -2.370 173.622 176.000 -0.013 0.000 0.917 355 Q CA -2.435 53.371 55.803 0.005 0.000 0.919 355 Q CB 0.484 29.232 28.738 0.016 0.000 1.237 355 Q HN 0.358 nan 8.270 nan 0.000 0.434 356 P HA 0.122 nan 4.420 nan 0.000 0.271 356 P C -0.427 176.671 177.300 -0.336 0.000 1.226 356 P CA 0.124 63.102 63.100 -0.203 0.000 0.765 356 P CB 0.753 32.343 31.700 -0.183 0.000 0.835 357 E N 2.297 122.281 120.200 -0.361 0.000 2.212 357 E HA 0.249 4.599 4.350 0.000 0.000 0.268 357 E C -0.439 175.963 176.600 -0.331 0.000 0.902 357 E CA -0.418 55.824 56.400 -0.264 0.000 0.779 357 E CB 1.401 31.065 29.700 -0.061 0.000 1.172 357 E HN 0.436 nan 8.360 nan 0.000 0.409 358 Y N -0.415 120.030 120.300 0.242 0.000 2.527 358 Y HA 0.198 4.748 4.550 0.000 0.000 0.247 358 Y C 0.307 176.451 175.900 0.407 0.000 1.138 358 Y CA -0.458 57.850 58.100 0.347 0.000 1.228 358 Y CB 1.125 39.690 38.460 0.175 0.000 1.252 358 Y HN 0.226 nan 8.280 nan 0.000 0.531 359 D N 0.914 121.479 120.400 0.274 0.000 2.462 359 D HA 0.118 4.758 4.640 0.000 0.000 0.245 359 D C 0.825 176.962 176.300 -0.272 0.000 1.122 359 D CA -0.215 53.826 54.000 0.068 0.000 0.864 359 D CB 1.670 42.508 40.800 0.063 0.000 1.098 359 D HN 0.145 nan 8.370 nan 0.000 0.541 360 L N 4.449 125.235 121.223 -0.729 0.000 2.043 360 L HA -0.152 4.188 4.340 0.000 0.000 0.212 360 L C 1.560 178.119 176.870 -0.518 0.000 1.075 360 L CA 1.966 56.147 54.840 -1.097 0.000 0.752 360 L CB -0.297 40.856 42.059 -1.510 0.000 0.891 360 L HN 0.480 nan 8.230 nan 0.000 0.432 361 E N -0.800 119.209 120.200 -0.317 0.000 2.515 361 E HA -0.134 4.216 4.350 0.000 0.000 0.201 361 E C 1.739 178.257 176.600 -0.137 0.000 1.071 361 E CA 0.412 56.704 56.400 -0.181 0.000 0.880 361 E CB -0.139 29.503 29.700 -0.098 0.000 0.828 361 E HN 0.571 nan 8.360 nan 0.000 0.540 362 L N 0.294 121.428 121.223 -0.149 0.000 2.664 362 L HA 0.237 4.577 4.340 0.000 0.000 0.233 362 L C 0.648 177.462 176.870 -0.093 0.000 1.113 362 L CA -0.150 54.636 54.840 -0.090 0.000 0.896 362 L CB 0.476 42.506 42.059 -0.048 0.000 1.163 362 L HN 0.046 nan 8.230 nan 0.000 0.497 363 I N 0.770 121.255 120.570 -0.143 0.000 2.337 363 I HA 0.062 4.232 4.170 0.000 0.000 0.291 363 I C 0.106 176.168 176.117 -0.093 0.000 1.046 363 I CA 0.113 61.343 61.300 -0.117 0.000 1.324 363 I CB 1.099 39.004 38.000 -0.159 0.000 1.409 363 I HN -0.035 nan 8.210 nan 0.000 0.494 364 T N 5.113 119.635 114.554 -0.054 0.000 2.780 364 T HA 0.390 4.740 4.350 0.000 0.000 0.294 364 T C 0.054 174.738 174.700 -0.026 0.000 0.949 364 T CA -0.571 61.510 62.100 -0.031 0.000 1.074 364 T CB 0.638 69.497 68.868 -0.015 0.000 0.910 364 T HN 0.744 nan 8.240 nan 0.000 0.501 365 S N 0.938 116.626 115.700 -0.020 0.000 2.546 365 S HA 0.375 4.845 4.470 0.000 0.000 0.272 365 S C -0.007 174.593 174.600 0.001 0.000 1.140 365 S CA -0.873 57.314 58.200 -0.022 0.000 0.920 365 S CB 0.587 63.756 63.200 -0.052 0.000 1.083 365 S HN 0.889 nan 8.310 nan 0.000 0.476 366 C N 2.669 121.972 119.300 0.003 0.000 4.028 366 C HA -0.161 4.299 4.460 0.000 0.000 0.300 366 C C 1.457 176.517 174.990 0.118 0.000 1.399 366 C CA 0.883 59.930 59.018 0.047 0.000 2.051 366 C CB -3.238 24.518 27.740 0.027 0.000 1.318 366 C HN 1.809 nan 8.230 nan 0.000 0.696 367 S N -1.923 113.834 115.700 0.096 0.000 3.270 367 S HA -0.206 4.264 4.470 0.000 0.000 0.293 367 S C 0.228 174.906 174.600 0.129 0.000 1.278 367 S CA 1.386 59.652 58.200 0.111 0.000 1.038 367 S CB -0.910 62.379 63.200 0.149 0.000 1.218 367 S HN 1.093 nan 8.310 nan 0.000 0.659 368 S N 1.907 117.686 115.700 0.131 0.000 2.569 368 S HA 0.671 5.141 4.470 0.000 0.000 0.280 368 S C -0.489 174.146 174.600 0.058 0.000 1.111 368 S CA -1.031 57.270 58.200 0.169 0.000 0.887 368 S CB 1.698 65.081 63.200 0.305 0.000 1.095 368 S HN 0.535 nan 8.310 nan 0.000 0.476 369 N N -0.050 118.666 118.700 0.026 0.000 2.272 369 N HA 0.472 5.212 4.740 0.000 0.000 0.305 369 N C -1.101 174.349 175.510 -0.102 0.000 1.103 369 N CA -0.621 52.396 53.050 -0.055 0.000 0.791 369 N CB 1.242 39.687 38.487 -0.071 0.000 1.356 369 N HN 0.309 nan 8.380 nan 0.000 0.486 370 V N 0.725 120.550 119.914 -0.148 0.000 2.572 370 V HA 0.281 4.401 4.120 0.000 0.000 0.291 370 V C 0.622 176.607 176.094 -0.181 0.000 1.039 370 V CA 0.112 62.309 62.300 -0.171 0.000 1.055 370 V CB 0.629 32.334 31.823 -0.197 0.000 0.969 370 V HN 0.876 nan 8.190 nan 0.000 0.482 371 S N 3.257 118.782 115.700 -0.292 0.000 2.720 371 S HA 0.803 5.273 4.470 0.000 0.000 0.287 371 S C -1.348 173.153 174.600 -0.164 0.000 1.168 371 S CA -0.486 57.566 58.200 -0.248 0.000 0.832 371 S CB 2.093 65.103 63.200 -0.317 0.000 1.166 371 S HN 0.681 nan 8.310 nan 0.000 0.493 372 V N 1.168 121.083 119.914 0.001 0.000 2.789 372 V HA 0.960 5.080 4.120 0.000 0.000 0.311 372 V C -0.235 175.897 176.094 0.064 0.000 1.073 372 V CA 0.288 62.567 62.300 -0.036 0.000 0.921 372 V CB 1.156 32.766 31.823 -0.354 0.000 1.009 372 V HN 1.314 nan 8.190 nan 0.000 0.426 373 A N 4.488 127.247 122.820 -0.103 0.000 2.548 373 A HA 0.967 5.287 4.320 0.000 0.000 0.282 373 A C -1.538 175.670 177.584 -0.625 0.000 1.288 373 A CA -0.533 51.319 52.037 -0.308 0.000 0.748 373 A CB 1.626 20.328 19.000 -0.496 0.000 1.339 373 A HN 1.017 nan 8.150 nan 0.000 0.475 374 H N 0.164 118.935 119.070 -0.497 0.000 2.679 374 H HA 0.459 5.015 4.556 0.000 0.000 0.360 374 H C -0.822 174.175 175.328 -0.551 0.000 1.105 374 H CA -0.453 55.289 56.048 -0.510 0.000 1.196 374 H CB 1.404 30.814 29.762 -0.586 0.000 1.636 374 H HN 0.784 nan 8.280 nan 0.000 0.531 375 D N 1.417 121.720 120.400 -0.161 0.000 2.440 375 D HA 0.169 4.809 4.640 0.000 0.000 0.269 375 D C 1.364 177.766 176.300 0.171 0.000 1.249 375 D CA -0.188 53.797 54.000 -0.024 0.000 1.055 375 D CB 0.408 41.200 40.800 -0.013 0.000 1.104 375 D HN 0.516 nan 8.370 nan 0.000 0.561 376 A N 0.045 122.961 122.820 0.160 0.000 1.927 376 A HA -0.205 4.115 4.320 0.000 0.000 0.220 376 A C 1.989 179.656 177.584 0.138 0.000 1.185 376 A CA 2.883 55.010 52.037 0.149 0.000 0.639 376 A CB -1.082 17.966 19.000 0.080 0.000 0.820 376 A HN 0.659 nan 8.150 nan 0.000 0.451 377 S N -2.259 113.503 115.700 0.104 0.000 2.634 377 S HA 0.427 4.897 4.470 0.000 0.000 0.221 377 S C 1.252 175.904 174.600 0.086 0.000 0.952 377 S CA 0.902 59.148 58.200 0.076 0.000 0.930 377 S CB -0.130 63.100 63.200 0.048 0.000 0.780 377 S HN 1.973 nan 8.310 nan 0.000 0.498 378 G N 1.851 110.729 108.800 0.131 0.000 2.159 378 G HA2 -0.314 3.646 3.960 0.000 0.000 0.256 378 G HA3 -0.314 3.646 3.960 0.000 0.000 0.256 378 G C -0.046 174.926 174.900 0.121 0.000 0.977 378 G CA 0.286 45.456 45.100 0.118 0.000 0.652 378 G HN 0.847 nan 8.290 nan 0.000 0.531 379 K N 0.598 121.037 120.400 0.065 0.000 2.237 379 K HA 0.500 4.820 4.320 0.000 0.000 0.270 379 K C 0.489 177.037 176.600 -0.085 0.000 1.015 379 K CA -0.736 55.563 56.287 0.019 0.000 0.949 379 K CB 0.535 33.034 32.500 -0.001 0.000 0.976 379 K HN 0.222 nan 8.250 nan 0.000 0.472 380 R N 1.928 122.323 120.500 -0.174 0.000 2.442 380 R HA 0.174 4.514 4.340 0.000 0.000 0.291 380 R C -0.892 175.193 176.300 -0.359 0.000 1.069 380 R CA -0.347 55.484 56.100 -0.448 0.000 1.022 380 R CB 1.018 31.070 30.300 -0.413 0.000 0.976 380 R HN 0.352 nan 8.270 nan 0.000 0.443 381 V N 5.343 125.013 119.914 -0.407 0.000 2.443 381 V HA 0.207 4.327 4.120 0.000 0.000 0.293 381 V C -0.899 175.109 176.094 -0.142 0.000 1.021 381 V CA -0.866 61.309 62.300 -0.209 0.000 0.848 381 V CB 1.068 32.805 31.823 -0.144 0.000 0.998 381 V HN 0.602 nan 8.190 nan 0.000 0.424 382 Y N 5.730 126.041 120.300 0.018 0.000 2.359 382 Y HA 0.536 5.086 4.550 0.000 0.000 0.330 382 Y C 0.094 176.081 175.900 0.146 0.000 1.143 382 Y CA -0.010 58.112 58.100 0.037 0.000 1.318 382 Y CB 0.742 39.181 38.460 -0.035 0.000 1.234 382 Y HN 0.727 nan 8.280 nan 0.000 0.522 383 Y N 0.027 120.406 120.300 0.131 0.000 2.609 383 Y HA 0.693 5.243 4.550 0.000 0.000 0.336 383 Y C -2.018 173.943 175.900 0.102 0.000 1.129 383 Y CA -2.088 56.066 58.100 0.090 0.000 1.040 383 Y CB 0.590 39.083 38.460 0.054 0.000 1.310 383 Y HN 0.399 nan 8.280 nan 0.000 0.460 384 L N 2.621 123.894 121.223 0.082 0.000 2.350 384 L HA 0.733 5.073 4.340 0.000 0.000 0.275 384 L C 0.290 177.294 176.870 0.223 0.000 1.099 384 L CA -0.190 54.681 54.840 0.051 0.000 0.808 384 L CB 1.643 43.753 42.059 0.085 0.000 1.149 384 L HN 0.962 nan 8.230 nan 0.000 0.442 385 T N 2.269 116.958 114.554 0.225 0.000 2.769 385 T HA 0.682 5.032 4.350 0.000 0.000 0.306 385 T C -1.400 173.436 174.700 0.226 0.000 1.400 385 T CA -0.758 61.557 62.100 0.359 0.000 1.007 385 T CB 1.527 70.515 68.868 0.201 0.000 1.392 385 T HN 0.795 nan 8.240 nan 0.000 0.500 386 R N 0.952 121.509 120.500 0.095 0.000 2.831 386 R HA 0.665 5.005 4.340 0.000 0.000 0.266 386 R C -1.459 174.628 176.300 -0.356 0.000 1.051 386 R CA -0.977 55.042 56.100 -0.135 0.000 0.943 386 R CB 0.541 30.719 30.300 -0.204 0.000 1.228 386 R HN 0.562 nan 8.270 nan 0.000 0.467 387 D N 1.719 121.926 120.400 -0.321 0.000 2.434 387 D HA 0.069 4.709 4.640 0.000 0.000 0.252 387 D C -1.421 174.497 176.300 -0.636 0.000 1.185 387 D CA -1.514 52.253 54.000 -0.389 0.000 0.886 387 D CB 1.125 41.792 40.800 -0.223 0.000 1.148 387 D HN 0.327 nan 8.370 nan 0.000 0.483 388 P HA -0.019 nan 4.420 nan 0.000 0.249 388 P C 0.785 177.756 177.300 -0.549 0.000 1.229 388 P CA 0.246 62.640 63.100 -1.177 0.000 0.788 388 P CB 0.288 31.228 31.700 -1.267 0.000 1.072 389 T N -0.461 113.890 114.554 -0.339 0.000 2.674 389 T HA -0.119 4.231 4.350 0.000 0.000 0.265 389 T C 1.761 176.403 174.700 -0.095 0.000 1.039 389 T CA 2.212 64.216 62.100 -0.160 0.000 1.150 389 T CB -1.130 67.682 68.868 -0.093 0.000 0.864 389 T HN 0.196 nan 8.240 nan 0.000 0.427 390 T N 2.461 116.963 114.554 -0.085 0.000 2.674 390 T HA -0.056 4.294 4.350 0.000 0.000 0.265 390 T C -0.496 174.182 174.700 -0.037 0.000 1.039 390 T CA 1.217 63.308 62.100 -0.015 0.000 1.150 390 T CB -1.400 67.508 68.868 0.067 0.000 0.864 390 T HN 0.322 nan 8.240 nan 0.000 0.427 391 P HA -0.035 nan 4.420 nan 0.000 0.216 391 P C 1.430 178.781 177.300 0.086 0.000 1.150 391 P CA 1.013 64.134 63.100 0.034 0.000 0.843 391 P CB -0.223 31.504 31.700 0.045 0.000 0.787 392 L N -1.597 119.637 121.223 0.018 0.000 2.131 392 L HA -0.032 4.308 4.340 0.000 0.000 0.206 392 L C 2.492 179.406 176.870 0.075 0.000 1.087 392 L CA 1.201 56.073 54.840 0.054 0.000 0.767 392 L CB -1.149 40.907 42.059 -0.005 0.000 0.917 392 L HN -0.077 nan 8.230 nan 0.000 0.441 393 A N 0.295 123.147 122.820 0.054 0.000 1.933 393 A HA -0.194 4.127 4.320 0.000 0.000 0.218 393 A C 2.406 180.063 177.584 0.122 0.000 1.175 393 A CA 1.432 53.519 52.037 0.083 0.000 0.628 393 A CB -0.405 18.620 19.000 0.043 0.000 0.814 393 A HN 0.319 nan 8.150 nan 0.000 0.444 394 R N -0.751 119.800 120.500 0.084 0.000 2.073 394 R HA 0.015 4.355 4.340 0.000 0.000 0.229 394 R C 2.563 179.017 176.300 0.256 0.000 1.120 394 R CA 1.036 57.200 56.100 0.107 0.000 0.967 394 R CB -0.473 29.840 30.300 0.020 0.000 0.862 394 R HN 0.491 nan 8.270 nan 0.000 0.436 395 A N 1.630 124.621 122.820 0.287 0.000 1.892 395 A HA -0.206 4.114 4.320 0.000 0.000 0.218 395 A C 2.406 180.199 177.584 0.348 0.000 1.188 395 A CA 1.953 54.259 52.037 0.448 0.000 0.631 395 A CB -0.765 18.513 19.000 0.463 0.000 0.822 395 A HN 0.412 nan 8.150 nan 0.000 0.447 396 A N -1.321 121.615 122.820 0.193 0.000 1.865 396 A HA -0.229 4.091 4.320 0.000 0.000 0.217 396 A C 2.127 179.814 177.584 0.171 0.000 1.191 396 A CA 1.578 53.689 52.037 0.123 0.000 0.623 396 A CB -1.007 18.060 19.000 0.111 0.000 0.826 396 A HN 0.836 nan 8.150 nan 0.000 0.444 397 W N 0.844 122.183 121.300 0.064 0.000 2.333 397 W HA -0.171 4.489 4.660 0.000 0.000 0.316 397 W C 1.779 178.354 176.519 0.094 0.000 1.215 397 W CA 2.067 59.445 57.345 0.055 0.000 1.278 397 W CB -0.478 28.998 29.460 0.027 0.000 1.154 397 W HN 0.550 nan 8.180 nan 0.000 0.486 398 E N -0.802 119.678 120.200 0.466 0.000 2.472 398 E HA -0.129 4.222 4.350 0.000 0.000 0.200 398 E C 1.938 178.745 176.600 0.344 0.000 1.046 398 E CA 1.322 57.975 56.400 0.423 0.000 0.871 398 E CB -0.006 29.993 29.700 0.498 0.000 0.806 398 E HN 0.135 nan 8.360 nan 0.000 0.533 399 T N 0.197 114.907 114.554 0.261 0.000 2.770 399 T HA -0.056 4.294 4.350 0.000 0.000 0.263 399 T C 1.784 176.494 174.700 0.016 0.000 1.039 399 T CA 1.218 63.393 62.100 0.125 0.000 1.142 399 T CB 0.044 68.970 68.868 0.096 0.000 0.868 399 T HN 0.208 nan 8.240 nan 0.000 0.435 400 A N 0.444 123.243 122.820 -0.035 0.000 2.308 400 A HA 0.310 4.630 4.320 0.000 0.000 0.217 400 A C 0.891 178.415 177.584 -0.100 0.000 1.216 400 A CA 0.003 51.976 52.037 -0.106 0.000 0.864 400 A CB 0.288 19.172 19.000 -0.194 0.000 0.902 400 A HN 0.090 nan 8.150 nan 0.000 0.499 401 R N -0.350 120.129 120.500 -0.035 0.000 2.673 401 R HA 0.330 4.670 4.340 0.000 0.000 0.281 401 R C -1.650 174.721 176.300 0.118 0.000 0.991 401 R CA -0.607 55.526 56.100 0.054 0.000 0.896 401 R CB 0.864 31.223 30.300 0.099 0.000 1.201 401 R HN 0.444 nan 8.270 nan 0.000 0.457 402 H N 0.799 119.943 119.070 0.124 0.000 2.819 402 H HA 0.151 4.707 4.556 0.000 0.000 0.303 402 H C 0.055 175.462 175.328 0.132 0.000 1.058 402 H CA 0.936 57.060 56.048 0.127 0.000 1.471 402 H CB 0.742 30.556 29.762 0.088 0.000 1.480 402 H HN 0.458 nan 8.280 nan 0.000 0.517 403 T N 2.561 117.254 114.554 0.232 0.000 2.840 403 T HA 0.195 4.545 4.350 0.000 0.000 0.287 403 T C -1.825 172.924 174.700 0.083 0.000 0.991 403 T CA -1.994 60.193 62.100 0.145 0.000 0.964 403 T CB 1.937 70.880 68.868 0.125 0.000 0.954 403 T HN 0.342 nan 8.240 nan 0.000 0.438 404 P HA -0.042 nan 4.420 nan 0.000 0.216 404 P C 0.343 177.534 177.300 -0.180 0.000 1.153 404 P CA 0.512 63.554 63.100 -0.096 0.000 0.858 404 P CB 0.076 31.654 31.700 -0.204 0.000 0.789 405 V N 2.409 122.203 119.914 -0.201 0.000 2.350 405 V HA 0.186 4.306 4.120 0.000 0.000 0.276 405 V C 0.297 176.310 176.094 -0.136 0.000 1.028 405 V CA -0.679 61.507 62.300 -0.189 0.000 0.860 405 V CB 0.945 32.649 31.823 -0.198 0.000 0.990 405 V HN 0.083 nan 8.190 nan 0.000 0.453 406 N N 2.925 121.504 118.700 -0.203 0.000 2.456 406 N HA 0.201 4.941 4.740 0.000 0.000 0.288 406 N C 0.890 176.200 175.510 -0.332 0.000 1.059 406 N CA 0.003 52.874 53.050 -0.298 0.000 0.946 406 N CB 2.074 40.180 38.487 -0.635 0.000 1.150 406 N HN 0.722 nan 8.380 nan 0.000 0.479 407 S N 1.465 117.042 115.700 -0.204 0.000 2.483 407 S HA -0.026 4.444 4.470 0.000 0.000 0.221 407 S C 1.719 176.271 174.600 -0.080 0.000 1.030 407 S CA -0.507 57.631 58.200 -0.104 0.000 0.925 407 S CB -0.299 62.898 63.200 -0.004 0.000 0.795 407 S HN 0.844 nan 8.310 nan 0.000 0.511 408 W N 1.541 122.762 121.300 -0.130 0.000 2.374 408 W HA -0.009 4.651 4.660 0.000 0.000 0.288 408 W C 1.513 177.935 176.519 -0.162 0.000 1.218 408 W CA 0.366 57.586 57.345 -0.207 0.000 1.245 408 W CB -0.929 28.116 29.460 -0.691 0.000 1.126 408 W HN 0.352 nan 8.180 nan 0.000 0.545 409 L N 2.846 123.476 121.223 -0.987 0.000 2.072 409 L HA 0.165 4.505 4.340 0.000 0.000 0.205 409 L C 2.683 179.380 176.870 -0.288 0.000 1.079 409 L CA 2.706 57.065 54.840 -0.801 0.000 0.752 409 L CB -1.415 39.972 42.059 -1.120 0.000 0.906 409 L HN 0.048 nan 8.230 nan 0.000 0.436 410 G N -0.599 108.052 108.800 -0.247 0.000 2.422 410 G HA2 -0.294 3.666 3.960 0.000 0.000 0.218 410 G HA3 -0.294 3.666 3.960 0.000 0.000 0.218 410 G C 1.454 176.377 174.900 0.038 0.000 1.146 410 G CA 0.802 45.844 45.100 -0.096 0.000 0.769 410 G HN 0.456 nan 8.290 nan 0.000 0.547 411 N N 0.395 119.167 118.700 0.121 0.000 2.270 411 N HA 0.027 4.767 4.740 0.000 0.000 0.181 411 N C 2.239 177.877 175.510 0.213 0.000 1.016 411 N CA 0.485 53.720 53.050 0.308 0.000 0.870 411 N CB -0.011 38.712 38.487 0.394 0.000 0.979 411 N HN 0.343 nan 8.380 nan 0.000 0.431 412 I N 1.061 121.719 120.570 0.146 0.000 2.163 412 I HA -0.214 3.956 4.170 0.000 0.000 0.240 412 I C 2.089 178.246 176.117 0.066 0.000 1.081 412 I CA 0.870 62.234 61.300 0.107 0.000 1.353 412 I CB -0.227 37.904 38.000 0.219 0.000 1.054 412 I HN -0.015 nan 8.210 nan 0.000 0.407 413 I N 0.271 120.896 120.570 0.093 0.000 2.091 413 I HA -0.343 3.827 4.170 0.000 0.000 0.239 413 I C 2.490 178.720 176.117 0.189 0.000 1.061 413 I CA 1.589 62.971 61.300 0.136 0.000 1.317 413 I CB -0.260 37.824 38.000 0.139 0.000 1.031 413 I HN 0.248 nan 8.210 nan 0.000 0.401 414 M N -1.230 118.423 119.600 0.088 0.000 2.447 414 M HA -0.055 4.425 4.480 0.000 0.000 0.264 414 M C 0.720 176.906 176.300 -0.189 0.000 1.095 414 M CA 1.393 56.675 55.300 -0.030 0.000 1.125 414 M CB -0.435 32.056 32.600 -0.182 0.000 1.389 414 M HN 0.204 nan 8.290 nan 0.000 0.459 415 Y N -0.504 119.794 120.300 -0.003 0.000 2.736 415 Y HA 0.471 5.021 4.550 0.000 0.000 0.293 415 Y C 1.708 177.345 175.900 -0.438 0.000 1.062 415 Y CA -0.440 57.547 58.100 -0.188 0.000 1.247 415 Y CB -0.644 37.655 38.460 -0.269 0.000 1.200 415 Y HN 0.135 nan 8.280 nan 0.000 0.552 416 A N 0.947 123.533 122.820 -0.389 0.000 1.908 416 A HA -0.133 4.187 4.320 0.000 0.000 0.218 416 A C -0.460 176.798 177.584 -0.543 0.000 1.181 416 A CA 1.597 53.344 52.037 -0.484 0.000 0.627 416 A CB -1.295 17.388 19.000 -0.528 0.000 0.818 416 A HN 0.280 nan 8.150 nan 0.000 0.445 417 P HA 0.051 nan 4.420 nan 0.000 0.241 417 P C 0.550 177.555 177.300 -0.492 0.000 1.191 417 P CA 1.006 63.797 63.100 -0.514 0.000 0.771 417 P CB -0.452 30.950 31.700 -0.497 0.000 0.929 418 T N -2.465 111.812 114.554 -0.462 0.000 2.898 418 T HA 0.107 4.457 4.350 0.000 0.000 0.301 418 T C 1.172 175.454 174.700 -0.697 0.000 1.049 418 T CA -0.630 61.169 62.100 -0.501 0.000 1.095 418 T CB 0.551 68.975 68.868 -0.739 0.000 0.976 418 T HN -0.192 nan 8.240 nan 0.000 0.539 419 L N 2.287 122.993 121.223 -0.861 0.000 1.971 419 L HA -0.060 4.280 4.340 0.000 0.000 0.215 419 L C 2.502 179.085 176.870 -0.479 0.000 1.072 419 L CA 2.051 56.432 54.840 -0.765 0.000 0.758 419 L CB -1.026 40.560 42.059 -0.787 0.000 0.889 419 L HN 0.946 nan 8.230 nan 0.000 0.433 420 W N -0.717 120.378 121.300 -0.343 0.000 2.388 420 W HA -0.014 4.646 4.660 0.000 0.000 0.294 420 W C 2.056 178.432 176.519 -0.238 0.000 1.212 420 W CA 0.957 58.134 57.345 -0.280 0.000 1.271 420 W CB -1.598 27.730 29.460 -0.220 0.000 1.126 420 W HN 0.353 nan 8.180 nan 0.000 0.535 421 A N 2.104 124.499 122.820 -0.709 0.000 1.855 421 A HA -0.167 4.153 4.320 0.000 0.000 0.215 421 A C 2.266 179.699 177.584 -0.252 0.000 1.191 421 A CA 2.131 53.888 52.037 -0.467 0.000 0.613 421 A CB -0.866 17.735 19.000 -0.664 0.000 0.829 421 A HN 0.295 nan 8.150 nan 0.000 0.442 422 R N -0.747 119.537 120.500 -0.361 0.000 2.070 422 R HA -0.090 4.250 4.340 0.000 0.000 0.232 422 R C 2.253 178.388 176.300 -0.274 0.000 1.138 422 R CA 1.750 57.669 56.100 -0.303 0.000 0.936 422 R CB -0.484 29.501 30.300 -0.525 0.000 0.839 422 R HN 0.444 nan 8.270 nan 0.000 0.429 423 M N -0.092 119.147 119.600 -0.602 0.000 2.229 423 M HA -0.056 4.424 4.480 0.000 0.000 0.264 423 M C 2.030 178.184 176.300 -0.244 0.000 1.063 423 M CA 1.689 56.624 55.300 -0.609 0.000 1.114 423 M CB -0.381 31.861 32.600 -0.596 0.000 1.387 423 M HN 0.214 nan 8.290 nan 0.000 0.420 424 I N -1.393 118.938 120.570 -0.398 0.000 3.570 424 I HA -0.041 4.129 4.170 0.000 0.000 0.270 424 I C 2.162 178.121 176.117 -0.264 0.000 1.162 424 I CA 0.106 60.938 61.300 -0.781 0.000 1.413 424 I CB 0.057 37.531 38.000 -0.876 0.000 1.437 424 I HN 0.053 nan 8.210 nan 0.000 0.457 425 L N 0.474 121.701 121.223 0.007 0.000 2.005 425 L HA -0.146 4.194 4.340 0.000 0.000 0.207 425 L C 2.647 179.800 176.870 0.472 0.000 1.072 425 L CA 1.606 56.625 54.840 0.298 0.000 0.744 425 L CB -0.349 41.897 42.059 0.311 0.000 0.895 425 L HN 0.240 nan 8.230 nan 0.000 0.433 426 M N -0.911 118.931 119.600 0.402 0.000 2.080 426 M HA -0.183 4.297 4.480 0.000 0.000 0.260 426 M C 2.270 179.028 176.300 0.763 0.000 1.068 426 M CA 2.125 57.764 55.300 0.565 0.000 1.109 426 M CB -0.895 31.872 32.600 0.279 0.000 1.342 426 M HN 0.264 nan 8.290 nan 0.000 0.405 427 T N -1.311 113.667 114.554 0.707 0.000 2.708 427 T HA -0.217 4.134 4.350 0.000 0.000 0.266 427 T C 1.681 176.655 174.700 0.456 0.000 1.037 427 T CA 1.951 64.440 62.100 0.648 0.000 1.146 427 T CB -0.622 68.653 68.868 0.679 0.000 0.865 427 T HN 0.497 nan 8.240 nan 0.000 0.435 428 H N 0.297 119.529 119.070 0.269 0.000 2.326 428 H HA 0.033 4.589 4.556 0.000 0.000 0.301 428 H C 1.704 176.922 175.328 -0.183 0.000 1.081 428 H CA 1.478 57.563 56.048 0.062 0.000 1.334 428 H CB -0.359 29.310 29.762 -0.155 0.000 1.385 428 H HN 0.348 nan 8.280 nan 0.000 0.504 429 F N -1.310 118.627 119.950 -0.021 0.000 2.270 429 F HA 0.053 4.580 4.527 0.000 0.000 0.295 429 F C 1.862 177.545 175.800 -0.196 0.000 1.087 429 F CA 0.381 58.160 58.000 -0.368 0.000 1.365 429 F CB -0.432 38.004 39.000 -0.941 0.000 1.056 429 F HN 0.123 nan 8.300 nan 0.000 0.506 430 F N -0.361 119.704 119.950 0.192 0.000 2.216 430 F HA -0.221 4.306 4.527 0.000 0.000 0.300 430 F C 2.750 178.588 175.800 0.064 0.000 1.085 430 F CA 1.539 59.659 58.000 0.200 0.000 1.326 430 F CB -0.728 38.498 39.000 0.377 0.000 1.027 430 F HN -0.083 nan 8.300 nan 0.000 0.497 431 S N 0.314 116.100 115.700 0.143 0.000 2.382 431 S HA -0.181 4.289 4.470 0.000 0.000 0.228 431 S C 2.087 176.642 174.600 -0.075 0.000 1.027 431 S CA 1.398 59.599 58.200 0.001 0.000 0.991 431 S CB -0.422 62.752 63.200 -0.043 0.000 0.823 431 S HN 0.350 nan 8.310 nan 0.000 0.469 432 I N 1.174 121.644 120.570 -0.167 0.000 2.233 432 I HA -0.136 4.034 4.170 0.000 0.000 0.243 432 I C 2.163 178.235 176.117 -0.076 0.000 1.093 432 I CA 0.968 62.163 61.300 -0.175 0.000 1.380 432 I CB -0.299 37.529 38.000 -0.286 0.000 1.067 432 I HN 0.308 nan 8.210 nan 0.000 0.413 433 L N 0.106 121.293 121.223 -0.060 0.000 2.079 433 L HA -0.237 4.103 4.340 0.000 0.000 0.210 433 L C 2.550 179.426 176.870 0.010 0.000 1.081 433 L CA 1.333 56.154 54.840 -0.032 0.000 0.752 433 L CB -0.679 41.307 42.059 -0.122 0.000 0.896 433 L HN 0.285 nan 8.230 nan 0.000 0.433 434 L N 0.014 121.258 121.223 0.034 0.000 1.989 434 L HA -0.218 4.122 4.340 0.000 0.000 0.211 434 L C 2.882 179.762 176.870 0.018 0.000 1.071 434 L CA 1.472 56.340 54.840 0.047 0.000 0.749 434 L CB -0.662 41.431 42.059 0.056 0.000 0.890 434 L HN 0.243 nan 8.230 nan 0.000 0.431 435 A N -1.161 121.656 122.820 -0.005 0.000 2.019 435 A HA -0.174 4.146 4.320 0.000 0.000 0.219 435 A C 2.064 179.646 177.584 -0.004 0.000 1.164 435 A CA 1.254 53.283 52.037 -0.013 0.000 0.644 435 A CB -0.201 18.778 19.000 -0.034 0.000 0.805 435 A HN 0.466 nan 8.150 nan 0.000 0.449 436 Q N -0.936 118.865 119.800 0.002 0.000 2.356 436 Q HA 0.095 4.435 4.340 0.000 0.000 0.205 436 Q C -0.449 175.567 176.000 0.027 0.000 0.901 436 Q CA 0.420 56.233 55.803 0.016 0.000 0.938 436 Q CB 0.118 28.870 28.738 0.024 0.000 1.081 436 Q HN 0.775 nan 8.270 nan 0.000 0.517 437 E N 0.674 120.890 120.200 0.028 0.000 2.389 437 E HA -0.236 4.114 4.350 0.000 0.000 0.243 437 E C -0.227 176.399 176.600 0.043 0.000 1.154 437 E CA 0.260 56.682 56.400 0.036 0.000 0.723 437 E CB -1.188 28.532 29.700 0.033 0.000 1.261 437 E HN 0.435 nan 8.360 nan 0.000 0.390 438 Q N -0.347 119.480 119.800 0.044 0.000 2.175 438 Q HA 0.210 4.550 4.340 0.000 0.000 0.225 438 Q C 1.730 177.760 176.000 0.049 0.000 0.837 438 Q CA -0.262 55.574 55.803 0.054 0.000 1.032 438 Q CB 0.435 29.214 28.738 0.069 0.000 1.137 438 Q HN 0.403 nan 8.270 nan 0.000 0.483 439 L N 0.455 121.706 121.223 0.046 0.000 2.079 439 L HA -0.216 4.124 4.340 0.000 0.000 0.210 439 L C 1.833 178.744 176.870 0.067 0.000 1.081 439 L CA 1.452 56.322 54.840 0.051 0.000 0.752 439 L CB -0.083 42.034 42.059 0.098 0.000 0.896 439 L HN 0.317 nan 8.230 nan 0.000 0.433 440 E N -0.450 119.790 120.200 0.067 0.000 2.385 440 E HA -0.068 4.283 4.350 0.000 0.000 0.194 440 E C 0.745 177.383 176.600 0.063 0.000 1.013 440 E CA -0.018 56.421 56.400 0.066 0.000 0.866 440 E CB 0.191 29.927 29.700 0.059 0.000 0.832 440 E HN 0.271 nan 8.360 nan 0.000 0.500 441 K N 1.991 122.430 120.400 0.065 0.000 2.349 441 K HA 0.241 4.561 4.320 0.000 0.000 0.288 441 K C -0.546 176.097 176.600 0.072 0.000 1.058 441 K CA -0.254 56.074 56.287 0.069 0.000 0.953 441 K CB 0.690 33.236 32.500 0.076 0.000 0.997 441 K HN -0.099 nan 8.250 nan 0.000 0.477 442 A N 5.352 128.213 122.820 0.069 0.000 2.440 442 A HA 0.316 4.636 4.320 0.000 0.000 0.251 442 A C -0.397 177.225 177.584 0.064 0.000 1.089 442 A CA -0.308 51.769 52.037 0.067 0.000 0.779 442 A CB 0.198 19.241 19.000 0.071 0.000 1.022 442 A HN 0.771 nan 8.150 nan 0.000 0.492 443 L N 1.545 122.790 121.223 0.037 0.000 2.319 443 L HA 0.449 4.789 4.340 0.000 0.000 0.267 443 L C -0.820 176.034 176.870 -0.027 0.000 1.011 443 L CA -1.008 53.836 54.840 0.007 0.000 0.818 443 L CB 1.949 43.985 42.059 -0.039 0.000 1.316 443 L HN 0.578 nan 8.230 nan 0.000 0.432 444 D N 0.675 121.053 120.400 -0.037 0.000 2.168 444 D HA 0.536 5.176 4.640 0.000 0.000 0.246 444 D C -0.720 175.497 176.300 -0.137 0.000 1.050 444 D CA -0.061 53.915 54.000 -0.041 0.000 0.857 444 D CB 1.591 42.404 40.800 0.022 0.000 1.169 444 D HN 0.598 nan 8.370 nan 0.000 0.453 445 C N 0.393 119.616 119.300 -0.128 0.000 3.171 445 C HA 0.665 5.125 4.460 0.000 0.000 0.308 445 C C -1.098 173.843 174.990 -0.081 0.000 1.334 445 C CA -0.889 58.030 59.018 -0.164 0.000 1.473 445 C CB 1.277 28.864 27.740 -0.255 0.000 1.866 445 C HN 0.494 nan 8.230 nan 0.000 0.465 446 Q N 0.998 120.755 119.800 -0.070 0.000 2.333 446 Q HA 0.673 5.013 4.340 0.000 0.000 0.265 446 Q C -1.171 174.822 176.000 -0.012 0.000 0.989 446 Q CA -0.169 55.630 55.803 -0.006 0.000 0.842 446 Q CB 1.942 30.681 28.738 0.002 0.000 1.262 446 Q HN 0.708 nan 8.270 nan 0.000 0.451 447 I N 3.054 123.636 120.570 0.020 0.000 2.389 447 I HA 0.185 4.355 4.170 0.000 0.000 0.288 447 I C -0.913 175.247 176.117 0.072 0.000 0.999 447 I CA -0.781 60.439 61.300 -0.134 0.000 1.129 447 I CB 0.829 38.478 38.000 -0.585 0.000 1.288 447 I HN 0.614 nan 8.210 nan 0.000 0.444 448 Y N 4.776 125.146 120.300 0.116 0.000 3.234 448 Y HA -0.213 4.337 4.550 0.000 0.000 0.207 448 Y C 1.421 177.311 175.900 -0.016 0.000 1.316 448 Y CA 0.776 58.929 58.100 0.089 0.000 1.309 448 Y CB -2.079 36.450 38.460 0.115 0.000 1.408 448 Y HN 0.979 nan 8.280 nan 0.000 0.544 449 G N -1.597 107.310 108.800 0.179 0.000 2.153 449 G HA2 0.089 4.049 3.960 0.000 0.000 0.252 449 G HA3 0.089 4.049 3.960 0.000 0.000 0.252 449 G C 0.226 175.191 174.900 0.108 0.000 0.994 449 G CA 0.303 45.468 45.100 0.109 0.000 0.698 449 G HN 1.682 nan 8.290 nan 0.000 0.521 450 A N -1.218 121.661 122.820 0.099 0.000 2.371 450 A HA 0.691 5.011 4.320 0.000 0.000 0.311 450 A C 0.292 177.731 177.584 -0.242 0.000 1.068 450 A CA 0.132 52.108 52.037 -0.101 0.000 0.744 450 A CB 1.481 20.415 19.000 -0.109 0.000 1.239 450 A HN 1.493 nan 8.150 nan 0.000 0.435 451 C N 2.566 121.663 119.300 -0.339 0.000 2.514 451 C HA 0.710 5.170 4.460 0.000 0.000 0.392 451 C C -0.974 173.630 174.990 -0.643 0.000 1.294 451 C CA -0.116 58.757 59.018 -0.242 0.000 1.957 451 C CB -1.445 26.365 27.740 0.118 0.000 2.541 451 C HN 0.626 nan 8.230 nan 0.000 0.569 452 Y N 3.314 123.411 120.300 -0.338 0.000 2.391 452 Y HA 0.405 4.955 4.550 0.000 0.000 0.341 452 Y C 0.375 176.105 175.900 -0.283 0.000 0.965 452 Y CA -0.319 57.520 58.100 -0.434 0.000 1.067 452 Y CB 1.775 39.895 38.460 -0.566 0.000 1.199 452 Y HN 0.611 nan 8.280 nan 0.000 0.450 453 S N 4.043 119.668 115.700 -0.126 0.000 2.475 453 S HA 0.727 5.197 4.470 0.000 0.000 0.281 453 S C -0.844 173.790 174.600 0.056 0.000 1.198 453 S CA -0.212 57.992 58.200 0.008 0.000 1.063 453 S CB -0.186 63.055 63.200 0.067 0.000 0.972 453 S HN 0.541 nan 8.310 nan 0.000 0.486 454 I N 3.748 124.351 120.570 0.055 0.000 2.619 454 I HA 0.304 4.474 4.170 0.000 0.000 0.292 454 I C -0.449 175.711 176.117 0.072 0.000 1.100 454 I CA -0.554 60.799 61.300 0.088 0.000 1.043 454 I CB 2.284 40.343 38.000 0.099 0.000 1.239 454 I HN 0.585 nan 8.210 nan 0.000 0.420 455 E N 6.908 127.161 120.200 0.088 0.000 2.129 455 E HA 0.140 4.490 4.350 0.000 0.000 0.283 455 E C -1.903 174.761 176.600 0.106 0.000 1.080 455 E CA -1.521 54.930 56.400 0.085 0.000 0.867 455 E CB 0.720 30.468 29.700 0.081 0.000 1.056 455 E HN 0.309 nan 8.360 nan 0.000 0.404 456 P HA -0.155 nan 4.420 nan 0.000 0.221 456 P C 1.018 178.482 177.300 0.274 0.000 1.145 456 P CA 0.966 64.156 63.100 0.149 0.000 0.795 456 P CB 0.197 31.905 31.700 0.014 0.000 0.775 457 L N -0.912 120.438 121.223 0.212 0.000 2.465 457 L HA -0.091 4.249 4.340 0.000 0.000 0.224 457 L C 1.369 178.338 176.870 0.165 0.000 1.145 457 L CA 1.083 56.062 54.840 0.230 0.000 0.834 457 L CB -0.619 41.537 42.059 0.162 0.000 0.944 457 L HN -0.065 nan 8.230 nan 0.000 0.451 458 D N -0.434 120.047 120.400 0.134 0.000 2.349 458 D HA 0.009 4.649 4.640 0.000 0.000 0.215 458 D C 2.268 178.619 176.300 0.085 0.000 1.016 458 D CA 0.331 54.378 54.000 0.078 0.000 0.870 458 D CB 0.266 41.097 40.800 0.052 0.000 0.917 458 D HN 0.259 nan 8.370 nan 0.000 0.524 459 L N 1.022 122.344 121.223 0.165 0.000 2.043 459 L HA -0.179 4.161 4.340 0.000 0.000 0.212 459 L C -0.489 176.472 176.870 0.152 0.000 1.075 459 L CA 1.603 56.553 54.840 0.183 0.000 0.752 459 L CB -1.387 40.855 42.059 0.305 0.000 0.891 459 L HN 0.072 nan 8.230 nan 0.000 0.432 460 P HA -0.181 nan 4.420 nan 0.000 0.215 460 P C 1.364 178.720 177.300 0.094 0.000 1.153 460 P CA 1.184 64.353 63.100 0.115 0.000 0.853 460 P CB 0.063 31.625 31.700 -0.229 0.000 0.788 461 Q N -0.596 119.185 119.800 -0.033 0.000 2.020 461 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 461 Q C 2.203 178.172 176.000 -0.052 0.000 0.982 461 Q CA 1.404 57.171 55.803 -0.060 0.000 0.838 461 Q CB -1.053 27.633 28.738 -0.087 0.000 0.899 461 Q HN 0.237 nan 8.270 nan 0.000 0.423 462 I N 0.125 120.658 120.570 -0.062 0.000 2.151 462 I HA -0.307 3.863 4.170 0.000 0.000 0.243 462 I C 2.070 178.165 176.117 -0.037 0.000 1.080 462 I CA 1.298 62.521 61.300 -0.128 0.000 1.339 462 I CB -0.345 37.600 38.000 -0.092 0.000 1.039 462 I HN 0.212 nan 8.210 nan 0.000 0.409 463 I N 0.347 120.954 120.570 0.063 0.000 2.315 463 I HA -0.273 3.897 4.170 0.000 0.000 0.248 463 I C 2.624 178.752 176.117 0.018 0.000 1.117 463 I CA 1.319 62.664 61.300 0.075 0.000 1.404 463 I CB -0.352 37.625 38.000 -0.038 0.000 1.071 463 I HN 0.303 nan 8.210 nan 0.000 0.419 464 E N 1.069 121.319 120.200 0.083 0.000 2.077 464 E HA -0.224 4.126 4.350 0.000 0.000 0.193 464 E C 2.326 178.924 176.600 -0.004 0.000 0.989 464 E CA 0.988 57.440 56.400 0.087 0.000 0.800 464 E CB 0.135 29.919 29.700 0.141 0.000 0.746 464 E HN 0.260 nan 8.360 nan 0.000 0.452 465 R N 0.039 120.508 120.500 -0.052 0.000 2.148 465 R HA -0.032 4.308 4.340 0.000 0.000 0.227 465 R C 2.264 178.488 176.300 -0.127 0.000 1.103 465 R CA 0.701 56.743 56.100 -0.097 0.000 0.983 465 R CB -0.142 30.064 30.300 -0.157 0.000 0.874 465 R HN 0.370 nan 8.270 nan 0.000 0.451 466 L N -1.271 119.852 121.223 -0.167 0.000 2.408 466 L HA 0.061 4.401 4.340 0.000 0.000 0.215 466 L C 1.667 178.213 176.870 -0.540 0.000 1.081 466 L CA 0.744 55.368 54.840 -0.359 0.000 0.840 466 L CB -0.181 41.624 42.059 -0.423 0.000 1.002 466 L HN 0.216 nan 8.230 nan 0.000 0.468 467 H N -0.679 118.320 119.070 -0.119 0.000 2.926 467 H HA 0.332 4.888 4.556 0.000 0.000 0.249 467 H C 0.877 176.141 175.328 -0.107 0.000 0.963 467 H CA 0.881 56.852 56.048 -0.127 0.000 1.158 467 H CB 1.524 31.177 29.762 -0.182 0.000 1.445 467 H HN 0.233 nan 8.280 nan 0.000 0.452 468 G N 0.833 109.640 108.800 0.011 0.000 2.612 468 G HA2 -0.190 3.770 3.960 0.000 0.000 0.686 468 G HA3 -0.190 3.770 3.960 0.000 0.000 0.686 468 G C 0.485 175.394 174.900 0.016 0.000 1.274 468 G CA -0.146 44.964 45.100 0.016 0.000 0.849 468 G HN 0.181 nan 8.290 nan 0.000 0.595 469 L N 0.872 122.162 121.223 0.113 0.000 2.083 469 L HA -0.130 4.210 4.340 0.000 0.000 0.209 469 L C 3.248 180.227 176.870 0.182 0.000 1.083 469 L CA 2.477 57.478 54.840 0.268 0.000 0.752 469 L CB -0.499 41.715 42.059 0.259 0.000 0.899 469 L HN 0.930 nan 8.230 nan 0.000 0.433 470 S N -0.077 115.660 115.700 0.061 0.000 2.420 470 S HA -0.242 4.228 4.470 0.000 0.000 0.237 470 S C 2.080 176.634 174.600 -0.075 0.000 1.023 470 S CA 0.956 59.162 58.200 0.010 0.000 0.991 470 S CB -0.602 62.585 63.200 -0.021 0.000 0.792 470 S HN 0.438 nan 8.310 nan 0.000 0.488 471 A N 0.912 123.613 122.820 -0.198 0.000 2.024 471 A HA 0.067 4.387 4.320 0.000 0.000 0.220 471 A C 1.609 178.963 177.584 -0.382 0.000 1.164 471 A CA 1.206 53.011 52.037 -0.387 0.000 0.643 471 A CB -0.899 17.763 19.000 -0.562 0.000 0.806 471 A HN 0.581 nan 8.150 nan 0.000 0.451 472 F N -0.087 119.869 119.950 0.010 0.000 2.797 472 F HA 0.102 4.629 4.527 0.000 0.000 0.302 472 F C 1.844 177.681 175.800 0.062 0.000 1.130 472 F CA 0.820 58.852 58.000 0.054 0.000 1.387 472 F CB 0.213 39.287 39.000 0.124 0.000 1.107 472 F HN 0.266 nan 8.300 nan 0.000 0.577 473 S N -1.222 114.575 115.700 0.163 0.000 3.009 473 S HA 0.300 4.770 4.470 0.000 0.000 0.254 473 S C -0.066 174.598 174.600 0.106 0.000 1.004 473 S CA -0.410 57.878 58.200 0.147 0.000 1.119 473 S CB -0.719 62.565 63.200 0.141 0.000 1.075 473 S HN 0.055 nan 8.310 nan 0.000 0.618 474 L N 3.684 124.887 121.223 -0.033 0.000 2.462 474 L HA 0.395 4.736 4.340 0.000 0.000 0.272 474 L C 0.609 177.323 176.870 -0.260 0.000 1.166 474 L CA -0.013 54.682 54.840 -0.240 0.000 0.880 474 L CB -0.055 41.737 42.059 -0.445 0.000 1.142 474 L HN 0.617 nan 8.230 nan 0.000 0.473 475 H N -0.795 118.058 119.070 -0.361 0.000 2.906 475 H HA 0.455 5.011 4.556 0.000 0.000 0.337 475 H C 0.102 175.241 175.328 -0.317 0.000 1.257 475 H CA -1.111 54.750 56.048 -0.311 0.000 1.192 475 H CB 1.141 30.843 29.762 -0.100 0.000 1.912 475 H HN 0.382 nan 8.280 nan 0.000 0.573 476 S N -0.222 115.417 115.700 -0.101 0.000 3.524 476 S HA -0.228 4.242 4.470 0.000 0.000 0.377 476 S C -0.779 173.807 174.600 -0.023 0.000 0.949 476 S CA 0.272 58.446 58.200 -0.042 0.000 1.264 476 S CB -2.222 60.908 63.200 -0.117 0.000 0.918 476 S HN 0.471 nan 8.310 nan 0.000 0.517 477 Y N 1.809 122.157 120.300 0.080 0.000 2.426 477 Y HA 0.244 4.795 4.550 0.000 0.000 0.344 477 Y C 1.433 177.391 175.900 0.096 0.000 1.256 477 Y CA 0.125 58.281 58.100 0.093 0.000 1.451 477 Y CB 0.348 38.859 38.460 0.086 0.000 1.342 477 Y HN 0.508 nan 8.280 nan 0.000 0.600 478 S N 1.855 117.721 115.700 0.277 0.000 2.579 478 S HA 0.115 4.585 4.470 0.000 0.000 0.275 478 S C -1.998 172.683 174.600 0.135 0.000 1.345 478 S CA -1.078 57.219 58.200 0.163 0.000 1.031 478 S CB 1.131 64.402 63.200 0.117 0.000 0.892 478 S HN 0.446 nan 8.310 nan 0.000 0.529 479 P HA -0.023 nan 4.420 nan 0.000 0.215 479 P C 1.779 179.116 177.300 0.061 0.000 1.153 479 P CA 1.648 64.793 63.100 0.075 0.000 0.853 479 P CB -0.475 31.260 31.700 0.058 0.000 0.788 480 G N 0.106 108.937 108.800 0.053 0.000 2.514 480 G HA2 -0.323 3.637 3.960 0.000 0.000 0.217 480 G HA3 -0.323 3.637 3.960 0.000 0.000 0.217 480 G C 1.665 176.586 174.900 0.035 0.000 1.198 480 G CA 1.251 46.373 45.100 0.035 0.000 0.780 480 G HN 0.248 nan 8.290 nan 0.000 0.565 481 E N 0.654 120.887 120.200 0.055 0.000 2.049 481 E HA -0.134 4.216 4.350 0.000 0.000 0.198 481 E C 2.491 179.116 176.600 0.041 0.000 1.007 481 E CA 1.192 57.624 56.400 0.055 0.000 0.809 481 E CB -0.477 29.289 29.700 0.110 0.000 0.749 481 E HN 0.528 nan 8.360 nan 0.000 0.450 482 I N 0.781 121.392 120.570 0.068 0.000 2.151 482 I HA -0.359 3.811 4.170 0.000 0.000 0.243 482 I C 2.031 178.170 176.117 0.037 0.000 1.080 482 I CA 1.465 62.800 61.300 0.058 0.000 1.339 482 I CB -0.488 37.568 38.000 0.093 0.000 1.039 482 I HN 0.202 nan 8.210 nan 0.000 0.409 483 N N 0.571 119.292 118.700 0.035 0.000 2.142 483 N HA -0.193 4.547 4.740 0.000 0.000 0.186 483 N C 1.894 177.406 175.510 0.003 0.000 1.023 483 N CA 1.108 54.172 53.050 0.023 0.000 0.852 483 N CB -0.482 38.020 38.487 0.024 0.000 0.998 483 N HN 0.349 nan 8.380 nan 0.000 0.424 484 R N 1.022 121.517 120.500 -0.009 0.000 2.105 484 R HA -0.064 4.277 4.340 0.000 0.000 0.239 484 R C 1.808 178.068 176.300 -0.066 0.000 1.135 484 R CA 1.060 57.135 56.100 -0.041 0.000 0.967 484 R CB -0.059 30.209 30.300 -0.054 0.000 0.861 484 R HN -0.014 nan 8.270 nan 0.000 0.442 485 V N 0.719 120.602 119.914 -0.052 0.000 2.283 485 V HA -0.144 3.976 4.120 0.000 0.000 0.243 485 V C 2.472 178.549 176.094 -0.028 0.000 1.039 485 V CA 1.809 64.070 62.300 -0.065 0.000 1.016 485 V CB -0.763 31.049 31.823 -0.019 0.000 0.650 485 V HN 0.539 nan 8.190 nan 0.000 0.449 486 A N 1.026 123.849 122.820 0.004 0.000 1.940 486 A HA -0.222 4.099 4.320 0.000 0.000 0.219 486 A C 2.521 180.119 177.584 0.022 0.000 1.176 486 A CA 2.419 54.472 52.037 0.027 0.000 0.631 486 A CB -0.745 18.278 19.000 0.038 0.000 0.814 486 A HN 0.685 nan 8.150 nan 0.000 0.446 487 S N -0.736 114.968 115.700 0.007 0.000 2.355 487 S HA -0.235 4.235 4.470 0.000 0.000 0.222 487 S C 2.093 176.696 174.600 0.005 0.000 1.031 487 S CA 1.154 59.359 58.200 0.008 0.000 0.993 487 S CB -1.581 61.618 63.200 -0.002 0.000 0.859 487 S HN 0.815 nan 8.310 nan 0.000 0.453 488 C N 2.150 121.436 119.300 -0.025 0.000 2.413 488 C HA 0.012 4.473 4.460 0.000 0.000 0.276 488 C C 2.628 177.619 174.990 0.001 0.000 1.248 488 C CA 0.848 59.845 59.018 -0.035 0.000 1.742 488 C CB -1.782 25.893 27.740 -0.107 0.000 2.017 488 C HN 0.664 nan 8.230 nan 0.000 0.481 489 L N 0.119 121.349 121.223 0.012 0.000 2.046 489 L HA -0.109 4.231 4.340 0.000 0.000 0.208 489 L C 3.062 179.963 176.870 0.052 0.000 1.077 489 L CA 1.781 56.648 54.840 0.045 0.000 0.747 489 L CB -0.803 41.300 42.059 0.072 0.000 0.896 489 L HN 0.366 nan 8.230 nan 0.000 0.432 490 R N 0.062 120.597 120.500 0.059 0.000 2.075 490 R HA -0.151 4.189 4.340 0.000 0.000 0.232 490 R C 2.379 178.770 176.300 0.152 0.000 1.126 490 R CA 1.018 57.168 56.100 0.084 0.000 0.963 490 R CB -0.231 30.115 30.300 0.077 0.000 0.858 490 R HN 0.240 nan 8.270 nan 0.000 0.435 491 K N 1.153 121.626 120.400 0.122 0.000 2.063 491 K HA -0.154 4.166 4.320 0.000 0.000 0.208 491 K C 1.779 178.552 176.600 0.288 0.000 1.048 491 K CA 1.410 57.791 56.287 0.156 0.000 0.928 491 K CB 0.009 32.554 32.500 0.075 0.000 0.713 491 K HN 0.192 nan 8.250 nan 0.000 0.442 492 L N -0.916 120.404 121.223 0.161 0.000 2.477 492 L HA 0.137 4.477 4.340 0.000 0.000 0.220 492 L C 0.964 177.755 176.870 -0.130 0.000 1.106 492 L CA 0.480 55.388 54.840 0.114 0.000 0.851 492 L CB 0.269 42.368 42.059 0.066 0.000 0.994 492 L HN 0.535 nan 8.230 nan 0.000 0.462 493 G N 0.986 109.629 108.800 -0.261 0.000 2.203 493 G HA2 -0.200 3.760 3.960 0.000 0.000 0.231 493 G HA3 -0.200 3.760 3.960 0.000 0.000 0.231 493 G C -0.111 174.692 174.900 -0.161 0.000 1.058 493 G CA -0.190 44.616 45.100 -0.489 0.000 0.781 493 G HN 0.040 nan 8.290 nan 0.000 0.496 494 V N 0.892 120.799 119.914 -0.012 0.000 2.530 494 V HA 0.377 4.497 4.120 0.000 0.000 0.282 494 V C -1.155 175.030 176.094 0.151 0.000 1.048 494 V CA -1.445 60.937 62.300 0.137 0.000 0.997 494 V CB 1.205 33.150 31.823 0.203 0.000 0.987 494 V HN 0.225 nan 8.190 nan 0.000 0.477 495 P HA 0.102 nan 4.420 nan 0.000 0.264 495 P C -2.379 174.982 177.300 0.102 0.000 1.183 495 P CA -0.671 62.411 63.100 -0.030 0.000 0.763 495 P CB -0.235 31.253 31.700 -0.352 0.000 0.807 496 P HA 0.021 nan 4.420 nan 0.000 0.271 496 P C 0.767 178.198 177.300 0.218 0.000 1.233 496 P CA 0.051 63.233 63.100 0.138 0.000 0.789 496 P CB 0.670 32.414 31.700 0.072 0.000 0.951 497 L N 0.590 121.984 121.223 0.284 0.000 2.450 497 L HA -0.131 4.209 4.340 0.000 0.000 0.224 497 L C 2.651 179.706 176.870 0.309 0.000 1.149 497 L CA 1.274 56.338 54.840 0.373 0.000 0.816 497 L CB -0.705 41.509 42.059 0.259 0.000 0.932 497 L HN 0.341 nan 8.230 nan 0.000 0.449 498 R N -0.911 119.700 120.500 0.186 0.000 2.115 498 R HA -0.074 4.266 4.340 0.000 0.000 0.230 498 R C 2.142 178.506 176.300 0.107 0.000 1.111 498 R CA 0.991 57.175 56.100 0.140 0.000 0.976 498 R CB -0.563 29.783 30.300 0.078 0.000 0.870 498 R HN 0.198 nan 8.270 nan 0.000 0.445 499 V N -0.046 119.876 119.914 0.014 0.000 2.323 499 V HA -0.164 3.956 4.120 0.000 0.000 0.244 499 V C 1.767 177.824 176.094 -0.060 0.000 1.041 499 V CA 1.474 63.698 62.300 -0.127 0.000 1.025 499 V CB -0.506 31.108 31.823 -0.349 0.000 0.656 499 V HN 0.377 nan 8.190 nan 0.000 0.451 500 W N 0.142 121.558 121.300 0.193 0.000 2.392 500 W HA -0.080 4.580 4.660 0.000 0.000 0.279 500 W C 2.682 179.433 176.519 0.387 0.000 1.225 500 W CA 1.122 58.635 57.345 0.279 0.000 1.233 500 W CB -0.184 29.443 29.460 0.278 0.000 1.122 500 W HN 0.074 nan 8.180 nan 0.000 0.561 501 R N -0.140 120.675 120.500 0.525 0.000 2.066 501 R HA -0.195 4.145 4.340 0.000 0.000 0.232 501 R C 2.085 178.480 176.300 0.159 0.000 1.131 501 R CA 2.022 58.348 56.100 0.377 0.000 0.955 501 R CB -0.693 29.801 30.300 0.325 0.000 0.851 501 R HN 0.264 nan 8.270 nan 0.000 0.432 502 H N 0.028 119.137 119.070 0.065 0.000 2.387 502 H HA -0.026 4.530 4.556 0.000 0.000 0.299 502 H C 1.963 177.269 175.328 -0.035 0.000 1.090 502 H CA 1.878 57.920 56.048 -0.011 0.000 1.332 502 H CB 0.213 29.957 29.762 -0.029 0.000 1.386 502 H HN 0.115 nan 8.280 nan 0.000 0.516 503 R N -0.444 120.120 120.500 0.107 0.000 2.115 503 R HA 0.054 4.394 4.340 0.000 0.000 0.226 503 R C 2.393 178.656 176.300 -0.061 0.000 1.100 503 R CA 0.818 56.948 56.100 0.049 0.000 0.980 503 R CB 0.037 30.421 30.300 0.140 0.000 0.875 503 R HN 0.368 nan 8.270 nan 0.000 0.445 504 A N 0.818 123.602 122.820 -0.059 0.000 2.016 504 A HA -0.062 4.258 4.320 0.000 0.000 0.217 504 A C 1.929 179.226 177.584 -0.479 0.000 1.162 504 A CA 0.696 52.532 52.037 -0.335 0.000 0.662 504 A CB -0.111 18.692 19.000 -0.329 0.000 0.812 504 A HN 0.155 nan 8.150 nan 0.000 0.450 505 R N -0.543 119.750 120.500 -0.345 0.000 2.115 505 R HA -0.070 4.270 4.340 0.000 0.000 0.230 505 R C 2.567 178.685 176.300 -0.303 0.000 1.111 505 R CA 1.338 57.250 56.100 -0.314 0.000 0.976 505 R CB -0.285 29.850 30.300 -0.274 0.000 0.870 505 R HN 0.548 nan 8.270 nan 0.000 0.445 506 S N 0.235 115.746 115.700 -0.314 0.000 2.338 506 S HA -0.094 4.376 4.470 0.000 0.000 0.218 506 S C 2.039 176.498 174.600 -0.235 0.000 1.032 506 S CA 1.239 59.288 58.200 -0.252 0.000 0.999 506 S CB -0.180 62.890 63.200 -0.217 0.000 0.905 506 S HN 0.097 nan 8.310 nan 0.000 0.439 507 V N 2.754 122.483 119.914 -0.307 0.000 2.332 507 V HA -0.160 3.961 4.120 0.000 0.000 0.248 507 V C 2.768 178.643 176.094 -0.365 0.000 1.055 507 V CA 2.297 64.392 62.300 -0.342 0.000 1.038 507 V CB -0.884 30.638 31.823 -0.502 0.000 0.651 507 V HN 0.507 nan 8.190 nan 0.000 0.450 508 R N 0.120 120.323 120.500 -0.494 0.000 2.094 508 R HA -0.229 4.111 4.340 0.000 0.000 0.239 508 R C 2.321 178.538 176.300 -0.138 0.000 1.137 508 R CA 1.993 57.936 56.100 -0.262 0.000 0.943 508 R CB -0.544 29.620 30.300 -0.226 0.000 0.850 508 R HN 0.485 nan 8.270 nan 0.000 0.433 509 A N 1.126 123.854 122.820 -0.152 0.000 1.841 509 A HA -0.224 4.096 4.320 0.000 0.000 0.216 509 A C 2.217 179.760 177.584 -0.069 0.000 1.199 509 A CA 1.882 53.858 52.037 -0.102 0.000 0.621 509 A CB -0.656 18.277 19.000 -0.112 0.000 0.835 509 A HN 0.413 nan 8.150 nan 0.000 0.445 510 R N -0.592 119.864 120.500 -0.074 0.000 2.134 510 R HA -0.168 4.172 4.340 0.000 0.000 0.248 510 R C 2.113 178.413 176.300 0.000 0.000 1.143 510 R CA 1.888 57.967 56.100 -0.035 0.000 0.957 510 R CB -0.665 29.614 30.300 -0.035 0.000 0.867 510 R HN 0.561 nan 8.270 nan 0.000 0.441 511 L N 0.150 121.378 121.223 0.008 0.000 2.083 511 L HA -0.186 4.154 4.340 0.000 0.000 0.209 511 L C 2.202 179.098 176.870 0.043 0.000 1.083 511 L CA 1.128 56.005 54.840 0.061 0.000 0.752 511 L CB -0.288 41.831 42.059 0.099 0.000 0.899 511 L HN 0.234 nan 8.230 nan 0.000 0.433 512 L N -1.467 119.762 121.223 0.010 0.000 2.156 512 L HA -0.105 4.235 4.340 0.000 0.000 0.208 512 L C 2.448 179.320 176.870 0.002 0.000 1.095 512 L CA 0.564 55.406 54.840 0.003 0.000 0.770 512 L CB -0.389 41.658 42.059 -0.021 0.000 0.914 512 L HN 0.089 nan 8.230 nan 0.000 0.439 513 S N -0.472 115.226 115.700 -0.003 0.000 2.571 513 S HA -0.169 4.301 4.470 0.000 0.000 0.245 513 S C 1.662 176.268 174.600 0.010 0.000 0.976 513 S CA 0.999 59.198 58.200 -0.002 0.000 0.954 513 S CB -0.160 63.035 63.200 -0.008 0.000 0.756 513 S HN 0.501 nan 8.310 nan 0.000 0.535 514 Q N -0.535 119.278 119.800 0.022 0.000 2.316 514 Q HA 0.331 4.671 4.340 0.000 0.000 0.235 514 Q C 1.270 177.289 176.000 0.031 0.000 0.863 514 Q CA 0.200 56.021 55.803 0.030 0.000 0.939 514 Q CB 0.738 29.503 28.738 0.046 0.000 1.108 514 Q HN 0.467 nan 8.270 nan 0.000 0.522 515 G N 0.711 109.528 108.800 0.029 0.000 2.601 515 G HA2 -0.181 3.780 3.960 0.000 0.000 0.261 515 G HA3 -0.181 3.780 3.960 0.000 0.000 0.261 515 G C 0.553 175.477 174.900 0.039 0.000 1.289 515 G CA -0.275 44.842 45.100 0.028 0.000 0.920 515 G HN 0.821 nan 8.290 nan 0.000 0.571 516 G N -1.145 107.676 108.800 0.035 0.000 2.582 516 G HA2 -0.227 3.733 3.960 0.000 0.000 0.288 516 G HA3 -0.227 3.733 3.960 0.000 0.000 0.288 516 G C 1.052 175.980 174.900 0.047 0.000 1.247 516 G CA 1.484 46.607 45.100 0.039 0.000 0.972 516 G HN 1.527 nan 8.290 nan 0.000 0.557 517 R N 0.504 121.037 120.500 0.055 0.000 2.148 517 R HA 0.243 4.583 4.340 0.000 0.000 0.223 517 R C 3.120 179.477 176.300 0.096 0.000 1.088 517 R CA 1.495 57.633 56.100 0.064 0.000 0.985 517 R CB -0.419 29.922 30.300 0.068 0.000 0.880 517 R HN 0.643 nan 8.270 nan 0.000 0.451 518 A N 1.717 124.603 122.820 0.110 0.000 1.902 518 A HA -0.116 4.204 4.320 0.000 0.000 0.217 518 A C 2.414 180.065 177.584 0.112 0.000 1.181 518 A CA 1.683 53.806 52.037 0.143 0.000 0.623 518 A CB -0.596 18.483 19.000 0.132 0.000 0.818 518 A HN 0.364 nan 8.150 nan 0.000 0.443 519 A N -0.967 121.899 122.820 0.078 0.000 1.933 519 A HA -0.087 4.233 4.320 0.000 0.000 0.218 519 A C 2.279 179.906 177.584 0.071 0.000 1.175 519 A CA 2.275 54.347 52.037 0.058 0.000 0.628 519 A CB -1.307 17.716 19.000 0.038 0.000 0.814 519 A HN 0.437 nan 8.150 nan 0.000 0.444 520 T N -0.827 113.779 114.554 0.086 0.000 2.720 520 T HA -0.207 4.143 4.350 0.000 0.000 0.268 520 T C 1.876 176.654 174.700 0.130 0.000 1.037 520 T CA 1.588 63.767 62.100 0.131 0.000 1.144 520 T CB -0.697 68.196 68.868 0.041 0.000 0.864 520 T HN 0.573 nan 8.240 nan 0.000 0.444 521 C N 1.216 120.559 119.300 0.072 0.000 2.446 521 C HA 0.066 4.526 4.460 0.000 0.000 0.277 521 C C 3.115 178.107 174.990 0.002 0.000 1.275 521 C CA 0.525 59.539 59.018 -0.007 0.000 1.727 521 C CB -1.473 26.272 27.740 0.009 0.000 2.010 521 C HN 0.739 nan 8.230 nan 0.000 0.486 522 G N -0.125 108.738 108.800 0.106 0.000 2.402 522 G HA2 -0.236 3.724 3.960 0.000 0.000 0.216 522 G HA3 -0.236 3.724 3.960 0.000 0.000 0.216 522 G C 1.647 176.601 174.900 0.090 0.000 1.162 522 G CA 0.959 46.175 45.100 0.194 0.000 0.777 522 G HN 0.620 nan 8.290 nan 0.000 0.539 523 K N -0.857 119.539 120.400 -0.006 0.000 2.057 523 K HA -0.074 4.246 4.320 0.000 0.000 0.207 523 K C 2.129 178.536 176.600 -0.321 0.000 1.049 523 K CA 1.163 57.351 56.287 -0.166 0.000 0.931 523 K CB -0.230 32.142 32.500 -0.214 0.000 0.714 523 K HN 0.451 nan 8.250 nan 0.000 0.440 524 Y N 0.109 120.248 120.300 -0.268 0.000 2.301 524 Y HA 0.047 4.597 4.550 0.000 0.000 0.295 524 Y C 1.869 177.621 175.900 -0.247 0.000 1.119 524 Y CA 0.574 58.376 58.100 -0.497 0.000 1.162 524 Y CB 0.188 38.054 38.460 -0.990 0.000 1.046 524 Y HN -0.078 nan 8.280 nan 0.000 0.538 525 L N -1.672 119.459 121.223 -0.153 0.000 2.418 525 L HA -0.041 4.299 4.340 0.000 0.000 0.218 525 L C 0.306 176.853 176.870 -0.539 0.000 1.125 525 L CA 0.964 55.583 54.840 -0.369 0.000 0.835 525 L CB -0.090 41.425 42.059 -0.907 0.000 0.953 525 L HN 0.186 nan 8.230 nan 0.000 0.454 526 F N -2.427 117.496 119.950 -0.046 0.000 2.817 526 F HA 0.212 4.740 4.527 0.000 0.000 0.319 526 F C 1.558 177.047 175.800 -0.519 0.000 1.136 526 F CA -0.495 57.231 58.000 -0.456 0.000 1.177 526 F CB -0.482 38.274 39.000 -0.405 0.000 1.088 526 F HN -0.126 nan 8.300 nan 0.000 0.520 527 N N 1.499 120.128 118.700 -0.118 0.000 2.272 527 N HA -0.212 4.528 4.740 0.000 0.000 0.185 527 N C 1.944 177.434 175.510 -0.033 0.000 1.014 527 N CA 1.874 54.871 53.050 -0.088 0.000 0.870 527 N CB -0.220 38.234 38.487 -0.055 0.000 0.975 527 N HN 0.574 nan 8.380 nan 0.000 0.433 528 W N -0.395 120.951 121.300 0.076 0.000 2.468 528 W HA 0.098 4.759 4.660 0.000 0.000 0.262 528 W C 1.277 177.855 176.519 0.098 0.000 1.241 528 W CA 0.667 58.063 57.345 0.084 0.000 1.232 528 W CB -0.818 28.705 29.460 0.105 0.000 1.124 528 W HN 0.065 nan 8.180 nan 0.000 0.597 529 A N 1.490 123.971 122.820 -0.566 0.000 2.123 529 A HA 0.191 4.511 4.320 0.000 0.000 0.214 529 A C 1.047 178.513 177.584 -0.196 0.000 1.152 529 A CA 0.999 52.709 52.037 -0.545 0.000 0.728 529 A CB -0.784 17.667 19.000 -0.914 0.000 0.814 529 A HN 0.140 nan 8.150 nan 0.000 0.464 530 V N -3.155 116.673 119.914 -0.143 0.000 2.612 530 V HA 0.483 4.603 4.120 0.000 0.000 0.301 530 V C 0.679 176.751 176.094 -0.038 0.000 1.046 530 V CA -0.766 61.480 62.300 -0.090 0.000 0.946 530 V CB 1.522 33.282 31.823 -0.104 0.000 1.003 530 V HN 0.291 nan 8.190 nan 0.000 0.459 531 K N 1.348 121.730 120.400 -0.030 0.000 2.007 531 K HA -0.001 4.319 4.320 0.000 0.000 0.206 531 K C 1.326 177.908 176.600 -0.031 0.000 1.047 531 K CA 1.553 57.828 56.287 -0.019 0.000 0.937 531 K CB -0.196 32.296 32.500 -0.014 0.000 0.718 531 K HN 0.832 nan 8.250 nan 0.000 0.438 532 T N 2.905 117.435 114.554 -0.039 0.000 3.455 532 T HA 0.088 4.438 4.350 0.000 0.000 0.286 532 T C -0.538 174.130 174.700 -0.054 0.000 1.157 532 T CA -0.463 61.611 62.100 -0.043 0.000 1.090 532 T CB -0.318 68.525 68.868 -0.041 0.000 1.112 532 T HN 0.006 nan 8.240 nan 0.000 0.779 533 K N 2.971 123.340 120.400 -0.052 0.000 2.138 533 K HA 0.429 4.749 4.320 0.000 0.000 0.251 533 K C -0.467 176.091 176.600 -0.070 0.000 1.015 533 K CA -0.769 55.482 56.287 -0.060 0.000 0.917 533 K CB 0.659 33.130 32.500 -0.048 0.000 1.021 533 K HN 0.311 nan 8.250 nan 0.000 0.485 534 L N 1.237 122.405 121.223 -0.092 0.000 2.325 534 L HA 0.294 4.634 4.340 0.000 0.000 0.278 534 L C 0.195 177.005 176.870 -0.101 0.000 1.023 534 L CA -0.374 54.402 54.840 -0.108 0.000 0.811 534 L CB 1.130 43.093 42.059 -0.160 0.000 1.249 534 L HN 0.462 nan 8.230 nan 0.000 0.431 535 K N 3.355 123.708 120.400 -0.079 0.000 2.338 535 K HA 0.333 4.653 4.320 0.000 0.000 0.290 535 K C -1.039 175.510 176.600 -0.085 0.000 1.069 535 K CA -0.289 55.963 56.287 -0.057 0.000 0.941 535 K CB 0.152 32.633 32.500 -0.031 0.000 1.023 535 K HN 0.540 nan 8.250 nan 0.000 0.477 536 L N 4.635 125.802 121.223 -0.093 0.000 2.290 536 L HA 0.184 4.524 4.340 0.000 0.000 0.284 536 L C 0.782 177.671 176.870 0.030 0.000 1.078 536 L CA -0.574 54.179 54.840 -0.144 0.000 0.815 536 L CB 1.162 43.074 42.059 -0.245 0.000 1.162 536 L HN 0.700 nan 8.230 nan 0.000 0.435 537 T N 0.935 115.532 114.554 0.071 0.000 2.928 537 T HA 0.504 4.854 4.350 0.000 0.000 0.284 537 T C -2.426 172.374 174.700 0.166 0.000 1.008 537 T CA -2.110 60.052 62.100 0.103 0.000 1.057 537 T CB 1.293 70.200 68.868 0.064 0.000 1.018 537 T HN 0.255 nan 8.240 nan 0.000 0.493 538 P HA 0.093 nan 4.420 nan 0.000 0.266 538 P C -0.408 176.906 177.300 0.024 0.000 1.180 538 P CA 0.049 63.192 63.100 0.071 0.000 0.765 538 P CB 0.198 31.925 31.700 0.045 0.000 0.806 539 I N 5.012 125.545 120.570 -0.061 0.000 2.337 539 I HA 0.103 4.273 4.170 0.000 0.000 0.291 539 I C -1.167 174.907 176.117 -0.071 0.000 1.046 539 I CA -1.946 59.276 61.300 -0.131 0.000 1.324 539 I CB 1.049 38.870 38.000 -0.297 0.000 1.409 539 I HN 0.254 nan 8.210 nan 0.000 0.494 540 P HA -0.210 nan 4.420 nan 0.000 0.216 540 P C 1.352 178.628 177.300 -0.039 0.000 1.150 540 P CA 1.063 64.145 63.100 -0.030 0.000 0.843 540 P CB 0.252 31.941 31.700 -0.018 0.000 0.787 541 A N -0.490 122.299 122.820 -0.052 0.000 2.172 541 A HA 0.051 4.371 4.320 0.000 0.000 0.216 541 A C 2.212 179.758 177.584 -0.063 0.000 1.154 541 A CA 1.430 53.436 52.037 -0.051 0.000 0.701 541 A CB -1.290 17.680 19.000 -0.050 0.000 0.789 541 A HN 0.192 nan 8.150 nan 0.000 0.465 542 A N 0.635 123.411 122.820 -0.072 0.000 1.902 542 A HA -0.114 4.206 4.320 0.000 0.000 0.217 542 A C 2.482 180.020 177.584 -0.076 0.000 1.181 542 A CA 2.181 54.170 52.037 -0.079 0.000 0.623 542 A CB -0.934 18.024 19.000 -0.070 0.000 0.818 542 A HN 0.972 nan 8.150 nan 0.000 0.443 543 S N -0.663 115.003 115.700 -0.056 0.000 2.453 543 S HA -0.142 4.328 4.470 0.000 0.000 0.231 543 S C 1.576 176.146 174.600 -0.050 0.000 1.005 543 S CA 1.179 59.350 58.200 -0.049 0.000 0.949 543 S CB -0.365 62.816 63.200 -0.032 0.000 0.774 543 S HN 0.682 nan 8.310 nan 0.000 0.510 544 Q N 0.310 120.081 119.800 -0.049 0.000 2.403 544 Q HA 0.354 4.694 4.340 0.000 0.000 0.203 544 Q C -0.195 175.772 176.000 -0.055 0.000 0.932 544 Q CA -0.097 55.680 55.803 -0.043 0.000 0.945 544 Q CB 0.040 28.759 28.738 -0.032 0.000 1.045 544 Q HN 0.522 nan 8.270 nan 0.000 0.511 545 L N 1.823 122.998 121.223 -0.081 0.000 2.319 545 L HA 0.087 4.427 4.340 0.000 0.000 0.280 545 L C -0.043 176.752 176.870 -0.125 0.000 1.099 545 L CA -0.386 54.387 54.840 -0.111 0.000 0.828 545 L CB 0.637 42.599 42.059 -0.163 0.000 1.150 545 L HN 0.022 nan 8.230 nan 0.000 0.442 546 D N 4.416 124.758 120.400 -0.097 0.000 2.455 546 D HA 0.103 4.743 4.640 0.000 0.000 0.234 546 D C 0.167 176.384 176.300 -0.140 0.000 1.224 546 D CA -0.035 53.919 54.000 -0.077 0.000 0.999 546 D CB 0.508 41.296 40.800 -0.021 0.000 1.072 546 D HN 0.211 nan 8.370 nan 0.000 0.514 547 L N 2.607 123.691 121.223 -0.232 0.000 3.017 547 L HA 0.207 4.548 4.340 0.000 0.000 0.255 547 L C 0.245 177.010 176.870 -0.175 0.000 1.247 547 L CA -0.149 54.401 54.840 -0.482 0.000 1.038 547 L CB -0.256 41.381 42.059 -0.703 0.000 1.380 547 L HN 0.230 nan 8.230 nan 0.000 0.548 548 S N -1.546 114.146 115.700 -0.014 0.000 2.565 548 S HA 0.614 5.084 4.470 0.000 0.000 0.276 548 S C 1.302 175.964 174.600 0.103 0.000 1.326 548 S CA -0.021 58.209 58.200 0.050 0.000 1.045 548 S CB 1.358 64.573 63.200 0.025 0.000 0.918 548 S HN 0.521 nan 8.310 nan 0.000 0.505 549 G N 1.116 109.949 108.800 0.055 0.000 2.175 549 G HA2 -0.239 3.722 3.960 0.000 0.000 0.244 549 G HA3 -0.239 3.722 3.960 0.000 0.000 0.244 549 G C 0.413 175.310 174.900 -0.006 0.000 0.982 549 G CA 0.218 45.254 45.100 -0.106 0.000 0.641 549 G HN 0.690 nan 8.290 nan 0.000 0.527 550 W N -0.004 121.155 121.300 -0.236 0.000 2.441 550 W HA 0.510 5.170 4.660 0.000 0.000 0.302 550 W C 1.052 177.100 176.519 -0.785 0.000 1.191 550 W CA 1.241 58.215 57.345 -0.617 0.000 1.327 550 W CB -0.110 28.832 29.460 -0.863 0.000 1.128 550 W HN 0.167 nan 8.180 nan 0.000 0.522 551 F N -0.542 119.566 119.950 0.264 0.000 2.622 551 F HA 0.332 4.859 4.527 0.000 0.000 0.338 551 F C 0.352 176.254 175.800 0.170 0.000 1.334 551 F CA -0.522 57.626 58.000 0.245 0.000 1.179 551 F CB -0.022 39.099 39.000 0.201 0.000 1.471 551 F HN -0.386 nan 8.300 nan 0.000 0.576 552 V N 0.016 120.100 119.914 0.283 0.000 2.948 552 V HA 0.630 4.750 4.120 0.000 0.000 0.234 552 V C 0.881 177.093 176.094 0.196 0.000 1.205 552 V CA 0.634 63.053 62.300 0.197 0.000 1.234 552 V CB 0.466 32.391 31.823 0.170 0.000 1.020 552 V HN 0.457 nan 8.190 nan 0.000 0.491 553 A N -0.672 122.214 122.820 0.110 0.000 2.583 553 A HA 0.828 5.148 4.320 0.000 0.000 0.289 553 A C -0.281 176.960 177.584 -0.572 0.000 1.151 553 A CA 0.059 52.031 52.037 -0.109 0.000 0.695 553 A CB 1.142 19.927 19.000 -0.358 0.000 1.290 553 A HN 0.431 nan 8.150 nan 0.000 0.419 554 G N -1.661 106.507 108.800 -1.053 0.000 2.410 554 G HA2 0.560 4.520 3.960 0.000 0.000 0.330 554 G HA3 0.560 4.520 3.960 0.000 0.000 0.330 554 G C -1.119 173.079 174.900 -1.170 0.000 1.142 554 G CA -0.164 43.969 45.100 -1.612 0.000 0.902 554 G HN 0.590 nan 8.290 nan 0.000 0.491 555 Y N 0.068 120.154 120.300 -0.357 0.000 2.750 555 Y HA 0.239 4.790 4.550 0.000 0.000 0.247 555 Y C 1.050 176.886 175.900 -0.107 0.000 1.098 555 Y CA -0.946 57.053 58.100 -0.168 0.000 1.120 555 Y CB 0.188 38.588 38.460 -0.100 0.000 1.210 555 Y HN 0.386 nan 8.280 nan 0.000 0.601 556 S N 1.352 117.038 115.700 -0.024 0.000 2.885 556 S HA 0.172 4.642 4.470 0.000 0.000 0.334 556 S C 1.385 176.023 174.600 0.063 0.000 1.224 556 S CA 1.137 59.358 58.200 0.035 0.000 1.080 556 S CB -0.134 63.090 63.200 0.040 0.000 0.801 556 S HN 0.970 nan 8.310 nan 0.000 0.510 557 G N 3.029 111.868 108.800 0.066 0.000 2.283 557 G HA2 -0.240 3.720 3.960 0.000 0.000 0.280 557 G HA3 -0.240 3.720 3.960 0.000 0.000 0.280 557 G C 0.628 175.568 174.900 0.068 0.000 1.029 557 G CA 0.157 45.296 45.100 0.064 0.000 0.840 557 G HN 1.137 nan 8.290 nan 0.000 0.505 558 G N -0.828 108.014 108.800 0.070 0.000 3.233 558 G HA2 0.407 4.367 3.960 0.000 0.000 0.234 558 G HA3 0.407 4.367 3.960 0.000 0.000 0.234 558 G C 0.422 175.334 174.900 0.020 0.000 1.137 558 G CA 0.913 46.065 45.100 0.087 0.000 0.763 558 G HN 1.036 nan 8.290 nan 0.000 0.549 559 D N -0.345 120.037 120.400 -0.030 0.000 2.723 559 D HA -0.163 4.477 4.640 0.000 0.000 0.236 559 D C -0.031 176.173 176.300 -0.161 0.000 1.138 559 D CA 0.359 54.303 54.000 -0.093 0.000 0.676 559 D CB -0.977 39.781 40.800 -0.070 0.000 1.069 559 D HN 0.105 nan 8.370 nan 0.000 0.430 560 I N 1.067 121.509 120.570 -0.213 0.000 2.412 560 I HA 0.439 4.609 4.170 0.000 0.000 0.296 560 I C -0.144 175.709 176.117 -0.440 0.000 0.987 560 I CA -0.684 60.371 61.300 -0.408 0.000 1.180 560 I CB 1.292 38.886 38.000 -0.677 0.000 1.340 560 I HN 0.093 nan 8.210 nan 0.000 0.455 561 Y N 5.344 125.220 120.300 -0.708 0.000 2.421 561 Y HA 0.502 5.052 4.550 0.000 0.000 0.339 561 Y C -0.813 174.627 175.900 -0.767 0.000 0.996 561 Y CA -0.456 57.261 58.100 -0.638 0.000 1.046 561 Y CB 1.517 39.732 38.460 -0.409 0.000 1.226 561 Y HN 0.663 nan 8.280 nan 0.000 0.445 562 H N 0.000 118.459 119.070 -1.019 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.626 56.048 -0.703 0.000 1.023 562 H CB 0.000 29.396 29.762 -0.610 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496