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 1csj_1_A DATA FIRST_RESID 1 DATA SEQUENCE SXSYTWTGAL ITPCAAEESK LPINALSNSL LAHHNXVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE XKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIXA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKXALYDVVS TLPQVVXGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPXGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTXLVNGDDL VVICESAGTQ EDAASLRVFT EAXTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIXYAPTLW ARXILXTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAA LLSQGGRAAT CGKYLFNWAV K 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 0.000 174.563 174.600 -0.062 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 4 Y N 1.131 121.296 120.300 -0.224 0.000 2.609 4 Y HA 0.735 5.285 4.550 -0.000 0.000 0.336 4 Y C -0.748 174.921 175.900 -0.384 0.000 1.129 4 Y CA -0.707 57.146 58.100 -0.411 0.000 1.040 4 Y CB 2.146 40.227 38.460 -0.632 0.000 1.310 4 Y HN 0.081 nan 8.280 nan 0.000 0.460 5 T N 1.365 115.701 114.554 -0.363 0.000 2.949 5 T HA 0.335 4.685 4.350 -0.000 0.000 0.300 5 T C -1.236 173.273 174.700 -0.317 0.000 0.988 5 T CA -0.811 61.178 62.100 -0.186 0.000 0.993 5 T CB 0.319 69.151 68.868 -0.060 0.000 0.984 5 T HN 0.435 nan 8.240 nan 0.000 0.442 6 W N 1.160 122.526 121.300 0.110 0.000 2.492 6 W HA 0.724 5.384 4.660 -0.000 0.000 0.373 6 W C 0.624 177.181 176.519 0.063 0.000 1.323 6 W CA -0.640 56.755 57.345 0.085 0.000 1.406 6 W CB 0.840 30.331 29.460 0.052 0.000 1.398 6 W HN 0.432 nan 8.180 nan 0.000 0.671 7 T N -0.509 114.242 114.554 0.328 0.000 3.071 7 T HA 0.335 4.685 4.350 -0.000 0.000 0.311 7 T C 1.016 175.813 174.700 0.163 0.000 1.042 7 T CA 0.034 62.246 62.100 0.186 0.000 1.028 7 T CB 0.768 69.715 68.868 0.131 0.000 1.068 7 T HN 0.789 nan 8.240 nan 0.000 0.451 8 G N 3.462 112.330 108.800 0.113 0.000 4.121 8 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.230 8 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.230 8 G C 0.917 175.860 174.900 0.070 0.000 1.038 8 G CA 1.125 46.271 45.100 0.077 0.000 0.660 8 G HN 1.378 nan 8.290 nan 0.000 0.782 9 A N -0.190 122.683 122.820 0.089 0.000 2.565 9 A HA 0.442 4.762 4.320 -0.000 0.000 0.237 9 A C 0.521 178.145 177.584 0.066 0.000 1.053 9 A CA 0.101 52.184 52.037 0.077 0.000 0.755 9 A CB 0.110 19.166 19.000 0.093 0.000 0.980 9 A HN 0.442 nan 8.150 nan 0.000 0.506 10 L N 2.879 124.125 121.223 0.039 0.000 2.312 10 L HA 0.298 4.638 4.340 -0.000 0.000 0.281 10 L C 0.072 176.956 176.870 0.024 0.000 1.070 10 L CA -0.404 54.445 54.840 0.015 0.000 0.805 10 L CB 1.125 43.187 42.059 0.005 0.000 1.174 10 L HN 0.586 nan 8.230 nan 0.000 0.434 11 I N 2.716 123.289 120.570 0.005 0.000 2.389 11 I HA 0.007 4.177 4.170 -0.000 0.000 0.295 11 I C 0.779 176.908 176.117 0.020 0.000 1.117 11 I CA 0.043 61.356 61.300 0.022 0.000 1.317 11 I CB 0.393 38.393 38.000 -0.000 0.000 1.431 11 I HN 0.649 nan 8.210 nan 0.000 0.521 12 T N 5.369 119.941 114.554 0.030 0.000 2.909 12 T HA 0.495 4.845 4.350 -0.000 0.000 0.289 12 T C -2.064 172.661 174.700 0.041 0.000 1.005 12 T CA -1.633 60.486 62.100 0.031 0.000 1.084 12 T CB 1.496 70.381 68.868 0.029 0.000 0.975 12 T HN 0.286 nan 8.240 nan 0.000 0.509 13 P HA 0.276 nan 4.420 nan 0.000 0.279 13 P C 0.486 177.817 177.300 0.052 0.000 1.282 13 P CA -0.617 62.514 63.100 0.050 0.000 0.788 13 P CB 0.687 32.416 31.700 0.047 0.000 1.139 14 C N -2.902 116.431 119.300 0.056 0.000 3.785 14 C HA 0.811 5.271 4.460 -0.000 0.000 0.312 14 C C 0.533 175.551 174.990 0.048 0.000 1.566 14 C CA 0.523 59.573 59.018 0.053 0.000 1.837 14 C CB -0.507 27.273 27.740 0.066 0.000 2.826 14 C HN 0.718 nan 8.230 nan 0.000 0.667 15 A N 0.934 123.784 122.820 0.049 0.000 2.765 15 A HA 0.874 5.194 4.320 -0.000 0.000 0.305 15 A C -0.545 177.071 177.584 0.052 0.000 1.229 15 A CA 0.111 52.178 52.037 0.049 0.000 0.653 15 A CB -0.175 18.856 19.000 0.052 0.000 1.375 15 A HN 1.463 nan 8.150 nan 0.000 0.540 16 A N 0.119 122.974 122.820 0.058 0.000 2.409 16 A HA 0.557 4.877 4.320 -0.000 0.000 0.262 16 A C -0.259 177.372 177.584 0.078 0.000 1.113 16 A CA 0.007 52.082 52.037 0.063 0.000 0.790 16 A CB -0.228 18.810 19.000 0.064 0.000 1.046 16 A HN 0.526 nan 8.150 nan 0.000 0.496 17 E N 2.076 122.324 120.200 0.080 0.000 2.113 17 E HA 0.202 4.552 4.350 -0.000 0.000 0.273 17 E C -0.654 176.022 176.600 0.127 0.000 0.924 17 E CA -0.629 55.828 56.400 0.095 0.000 0.764 17 E CB 1.084 30.832 29.700 0.081 0.000 1.104 17 E HN 0.607 nan 8.360 nan 0.000 0.406 18 E N 1.177 121.486 120.200 0.181 0.000 2.383 18 E HA 0.108 4.458 4.350 -0.000 0.000 0.264 18 E C -0.032 176.749 176.600 0.303 0.000 1.050 18 E CA 0.172 56.730 56.400 0.264 0.000 0.896 18 E CB 1.703 31.679 29.700 0.460 0.000 0.982 18 E HN 0.404 nan 8.360 nan 0.000 0.424 19 S N 2.049 117.914 115.700 0.276 0.000 2.979 19 S HA 0.118 4.588 4.470 -0.000 0.000 0.243 19 S C 0.075 174.885 174.600 0.350 0.000 1.036 19 S CA 0.111 58.479 58.200 0.281 0.000 0.846 19 S CB 0.456 63.755 63.200 0.165 0.000 0.806 19 S HN 0.247 nan 8.310 nan 0.000 0.568 20 K N 1.411 121.920 120.400 0.182 0.000 2.098 20 K HA 0.477 4.797 4.320 -0.000 0.000 0.258 20 K C -0.915 175.557 176.600 -0.213 0.000 0.973 20 K CA -0.697 55.641 56.287 0.083 0.000 0.898 20 K CB 1.038 33.544 32.500 0.011 0.000 1.057 20 K HN 0.053 nan 8.250 nan 0.000 0.447 21 L N 3.430 124.517 121.223 -0.226 0.000 2.418 21 L HA 0.223 4.563 4.340 -0.000 0.000 0.274 21 L C -2.451 174.156 176.870 -0.439 0.000 1.135 21 L CA -1.310 53.208 54.840 -0.537 0.000 0.870 21 L CB -0.135 41.858 42.059 -0.111 0.000 1.154 21 L HN 0.401 nan 8.230 nan 0.000 0.462 22 P HA 0.098 nan 4.420 nan 0.000 0.268 22 P C -0.859 176.303 177.300 -0.231 0.000 1.205 22 P CA 0.020 62.919 63.100 -0.335 0.000 0.771 22 P CB 0.268 31.773 31.700 -0.324 0.000 0.858 23 I N 0.203 120.658 120.570 -0.192 0.000 2.293 23 I HA 0.306 4.476 4.170 -0.000 0.000 0.299 23 I C 0.125 176.206 176.117 -0.060 0.000 1.153 23 I CA -0.431 60.794 61.300 -0.126 0.000 1.302 23 I CB -0.975 36.939 38.000 -0.144 0.000 1.460 23 I HN 0.101 nan 8.210 nan 0.000 0.552 24 N N 4.425 123.108 118.700 -0.029 0.000 2.372 24 N HA 0.623 5.363 4.740 -0.000 0.000 0.291 24 N C 0.878 176.395 175.510 0.012 0.000 1.024 24 N CA -0.204 52.839 53.050 -0.012 0.000 0.873 24 N CB 2.089 40.569 38.487 -0.011 0.000 1.206 24 N HN 0.538 nan 8.380 nan 0.000 0.486 25 A N 2.899 125.722 122.820 0.005 0.000 2.070 25 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 25 A C 1.621 179.210 177.584 0.007 0.000 1.159 25 A CA 1.005 53.046 52.037 0.007 0.000 0.656 25 A CB -0.496 18.502 19.000 -0.003 0.000 0.800 25 A HN 0.644 nan 8.150 nan 0.000 0.453 26 L N 0.096 121.323 121.223 0.006 0.000 2.249 26 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 26 L C 2.669 179.574 176.870 0.057 0.000 1.090 26 L CA 2.270 57.111 54.840 0.003 0.000 0.802 26 L CB -0.534 41.512 42.059 -0.022 0.000 0.947 26 L HN 0.454 nan 8.230 nan 0.000 0.453 27 S N -1.297 114.440 115.700 0.062 0.000 2.387 27 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 27 S C 1.955 176.610 174.600 0.092 0.000 1.026 27 S CA 1.046 59.299 58.200 0.088 0.000 0.972 27 S CB -0.830 62.401 63.200 0.050 0.000 0.814 27 S HN 0.536 nan 8.310 nan 0.000 0.477 28 N N 1.857 120.600 118.700 0.072 0.000 2.223 28 N HA -0.082 4.658 4.740 -0.000 0.000 0.185 28 N C 1.733 177.275 175.510 0.053 0.000 1.016 28 N CA 1.299 54.388 53.050 0.066 0.000 0.863 28 N CB -0.575 37.946 38.487 0.056 0.000 0.983 28 N HN 0.550 nan 8.380 nan 0.000 0.429 29 S N -0.401 115.335 115.700 0.060 0.000 2.537 29 S HA -0.071 4.399 4.470 -0.000 0.000 0.240 29 S C 1.445 176.136 174.600 0.153 0.000 0.981 29 S CA 0.598 58.829 58.200 0.052 0.000 0.948 29 S CB 0.006 63.222 63.200 0.028 0.000 0.759 29 S HN 0.389 nan 8.310 nan 0.000 0.531 30 L N -0.404 120.939 121.223 0.200 0.000 3.017 30 L HA 0.591 4.931 4.340 -0.000 0.000 0.265 30 L C -0.756 176.202 176.870 0.147 0.000 1.128 30 L CA 0.164 55.170 54.840 0.278 0.000 0.984 30 L CB 0.799 42.946 42.059 0.147 0.000 1.464 30 L HN 0.268 nan 8.230 nan 0.000 0.556 31 L N 0.382 121.656 121.223 0.084 0.000 2.528 31 L HA 0.578 4.918 4.340 -0.000 0.000 0.267 31 L C 0.311 177.191 176.870 0.016 0.000 0.961 31 L CA 0.433 55.300 54.840 0.044 0.000 0.866 31 L CB 1.684 43.785 42.059 0.070 0.000 1.248 31 L HN 0.076 nan 8.230 nan 0.000 0.404 32 A N 3.277 126.053 122.820 -0.073 0.000 2.085 32 A HA 0.138 4.458 4.320 -0.000 0.000 0.208 32 A C 0.920 178.430 177.584 -0.123 0.000 1.191 32 A CA 0.363 52.342 52.037 -0.096 0.000 0.799 32 A CB -0.145 18.777 19.000 -0.130 0.000 0.877 32 A HN 0.825 nan 8.150 nan 0.000 0.473 33 H N 0.330 119.311 119.070 -0.148 0.000 2.820 33 H HA 0.090 4.646 4.556 -0.000 0.000 0.291 33 H C 1.308 176.557 175.328 -0.131 0.000 1.412 33 H CA 0.024 55.959 56.048 -0.189 0.000 1.176 33 H CB -0.036 29.688 29.762 -0.064 0.000 1.467 33 H HN 0.830 nan 8.280 nan 0.000 0.517 34 H N -1.651 117.509 119.070 0.151 0.000 2.437 34 H HA -0.178 4.378 4.556 -0.000 0.000 0.296 34 H C 0.661 176.058 175.328 0.115 0.000 1.121 34 H CA 0.747 56.858 56.048 0.105 0.000 1.255 34 H CB -0.424 29.367 29.762 0.049 0.000 1.366 34 H HN 0.310 nan 8.280 nan 0.000 0.512 38 Y N 2.445 122.928 120.300 0.305 0.000 2.588 38 Y HA 0.991 5.541 4.550 -0.000 0.000 0.343 38 Y C -0.274 175.733 175.900 0.178 0.000 1.065 38 Y CA -0.939 57.356 58.100 0.326 0.000 1.038 38 Y CB 1.863 40.456 38.460 0.223 0.000 1.297 38 Y HN 0.869 nan 8.280 nan 0.000 0.467 39 A N 1.526 124.500 122.820 0.255 0.000 2.325 39 A HA 0.707 5.027 4.320 -0.000 0.000 0.333 39 A C -0.053 177.653 177.584 0.203 0.000 1.155 39 A CA -0.333 51.650 52.037 -0.091 0.000 0.814 39 A CB 0.526 19.372 19.000 -0.255 0.000 1.206 39 A HN 1.028 nan 8.150 nan 0.000 0.482 40 T N -0.391 114.243 114.554 0.133 0.000 2.882 40 T HA 0.638 4.988 4.350 -0.000 0.000 0.287 40 T C 0.331 175.107 174.700 0.127 0.000 1.014 40 T CA 0.317 62.548 62.100 0.219 0.000 1.049 40 T CB 1.047 70.062 68.868 0.245 0.000 1.001 40 T HN 1.538 nan 8.240 nan 0.000 0.525 41 T N -2.450 112.175 114.554 0.118 0.000 2.754 41 T HA 0.458 4.808 4.350 -0.000 0.000 0.296 41 T C 1.435 176.172 174.700 0.061 0.000 1.205 41 T CA -0.157 61.993 62.100 0.084 0.000 1.009 41 T CB 1.057 69.977 68.868 0.086 0.000 1.368 41 T HN 0.779 nan 8.240 nan 0.000 0.509 42 S N 0.398 116.127 115.700 0.048 0.000 2.420 42 S HA -0.190 4.280 4.470 -0.000 0.000 0.237 42 S C 1.878 176.485 174.600 0.012 0.000 1.023 42 S CA 0.968 59.185 58.200 0.029 0.000 0.991 42 S CB -0.794 62.423 63.200 0.029 0.000 0.792 42 S HN 0.736 nan 8.310 nan 0.000 0.488 43 R N 1.398 121.910 120.500 0.021 0.000 2.139 43 R HA -0.053 4.287 4.340 -0.000 0.000 0.243 43 R C 2.418 178.713 176.300 -0.007 0.000 1.145 43 R CA 1.658 57.762 56.100 0.007 0.000 0.976 43 R CB -0.615 29.696 30.300 0.018 0.000 0.866 43 R HN 0.592 nan 8.270 nan 0.000 0.449 44 S N 0.708 116.411 115.700 0.004 0.000 2.461 44 S HA 0.008 4.478 4.470 -0.000 0.000 0.228 44 S C 2.076 176.649 174.600 -0.044 0.000 1.005 44 S CA 0.570 58.765 58.200 -0.009 0.000 0.942 44 S CB 0.023 63.237 63.200 0.025 0.000 0.776 44 S HN 0.420 nan 8.310 nan 0.000 0.514 45 A N 2.397 125.186 122.820 -0.052 0.000 1.916 45 A HA -0.234 4.086 4.320 -0.000 0.000 0.224 45 A C 2.382 179.855 177.584 -0.185 0.000 1.366 45 A CA 2.283 54.254 52.037 -0.110 0.000 0.692 45 A CB -1.889 17.048 19.000 -0.104 0.000 0.841 45 A HN 0.561 nan 8.150 nan 0.000 0.480 46 G N -0.754 107.947 108.800 -0.166 0.000 2.491 46 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 46 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 46 G C 1.580 176.376 174.900 -0.174 0.000 1.180 46 G CA 1.233 46.214 45.100 -0.197 0.000 0.774 46 G HN 0.502 nan 8.290 nan 0.000 0.562 47 L N -0.174 120.983 121.223 -0.110 0.000 2.013 47 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 47 L C 2.936 179.755 176.870 -0.085 0.000 1.073 47 L CA 1.731 56.524 54.840 -0.080 0.000 0.753 47 L CB -0.396 41.632 42.059 -0.052 0.000 0.890 47 L HN 0.190 nan 8.230 nan 0.000 0.432 48 R N 0.234 120.678 120.500 -0.095 0.000 2.083 48 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 48 R C 2.304 178.522 176.300 -0.136 0.000 1.137 48 R CA 1.698 57.748 56.100 -0.085 0.000 0.951 48 R CB -0.365 29.889 30.300 -0.076 0.000 0.851 48 R HN 0.388 nan 8.270 nan 0.000 0.434 49 Q N 0.033 119.659 119.800 -0.290 0.000 2.152 49 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 49 Q C 1.878 177.754 176.000 -0.207 0.000 0.985 49 Q CA 1.991 57.509 55.803 -0.476 0.000 0.863 49 Q CB -0.112 28.025 28.738 -1.002 0.000 0.904 49 Q HN 0.405 nan 8.270 nan 0.000 0.422 50 K N 0.558 120.877 120.400 -0.135 0.000 2.217 50 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 50 K C 1.891 178.532 176.600 0.069 0.000 1.051 50 K CA 0.734 57.013 56.287 -0.013 0.000 0.952 50 K CB 0.000 32.483 32.500 -0.029 0.000 0.736 50 K HN 0.039 nan 8.250 nan 0.000 0.453 51 K N 1.144 121.573 120.400 0.048 0.000 2.116 51 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 51 K C 1.824 178.557 176.600 0.222 0.000 1.052 51 K CA 0.916 57.260 56.287 0.094 0.000 0.952 51 K CB 0.320 32.849 32.500 0.049 0.000 0.729 51 K HN 0.084 nan 8.250 nan 0.000 0.446 52 V N -1.839 118.204 119.914 0.215 0.000 3.649 52 V HA 0.136 4.256 4.120 -0.000 0.000 0.275 52 V C 0.160 176.485 176.094 0.385 0.000 1.281 52 V CA 0.072 62.571 62.300 0.331 0.000 1.143 52 V CB 0.334 32.258 31.823 0.168 0.000 0.892 52 V HN -0.042 nan 8.190 nan 0.000 0.441 53 T N 4.408 119.200 114.554 0.395 0.000 2.781 53 T HA 0.721 5.071 4.350 -0.000 0.000 0.305 53 T C -0.764 174.173 174.700 0.394 0.000 1.001 53 T CA -0.042 62.284 62.100 0.378 0.000 0.950 53 T CB 0.175 69.327 68.868 0.473 0.000 0.955 53 T HN 0.643 nan 8.240 nan 0.000 0.471 54 F N -0.201 119.863 119.950 0.191 0.000 2.773 54 F HA 0.559 5.086 4.527 -0.000 0.000 0.314 54 F C -1.192 174.663 175.800 0.091 0.000 1.160 54 F CA -1.455 56.616 58.000 0.120 0.000 0.920 54 F CB 0.867 39.923 39.000 0.094 0.000 1.323 54 F HN 0.185 nan 8.300 nan 0.000 0.457 55 D N 0.920 121.483 120.400 0.273 0.000 2.304 55 D HA 0.397 5.037 4.640 -0.000 0.000 0.247 55 D C -0.956 175.480 176.300 0.226 0.000 1.089 55 D CA -0.172 53.911 54.000 0.138 0.000 0.910 55 D CB 1.215 42.085 40.800 0.116 0.000 1.199 55 D HN 0.538 nan 8.370 nan 0.000 0.426 56 R N 2.032 122.586 120.500 0.089 0.000 2.437 56 R HA 0.502 4.842 4.340 -0.000 0.000 0.310 56 R C -0.771 175.566 176.300 0.062 0.000 0.955 56 R CA -0.453 55.717 56.100 0.116 0.000 0.851 56 R CB 1.386 31.709 30.300 0.037 0.000 1.161 56 R HN 0.293 nan 8.270 nan 0.000 0.446 57 L N 2.927 124.188 121.223 0.065 0.000 2.345 57 L HA 0.472 4.812 4.340 -0.000 0.000 0.274 57 L C -0.468 176.410 176.870 0.013 0.000 0.999 57 L CA -0.564 54.293 54.840 0.027 0.000 0.849 57 L CB 1.784 43.858 42.059 0.024 0.000 1.220 57 L HN 0.495 nan 8.230 nan 0.000 0.422 58 Q N 2.782 122.580 119.800 -0.004 0.000 2.312 58 Q HA 0.673 5.013 4.340 -0.000 0.000 0.263 58 Q C -1.591 174.388 176.000 -0.036 0.000 0.995 58 Q CA -0.619 55.173 55.803 -0.018 0.000 0.853 58 Q CB 2.605 31.324 28.738 -0.031 0.000 1.300 58 Q HN 0.452 nan 8.270 nan 0.000 0.448 59 V N 5.441 125.333 119.914 -0.036 0.000 2.524 59 V HA 0.387 4.507 4.120 -0.000 0.000 0.297 59 V C -0.400 175.684 176.094 -0.016 0.000 1.035 59 V CA -0.689 61.588 62.300 -0.038 0.000 0.867 59 V CB 1.301 33.102 31.823 -0.037 0.000 1.004 59 V HN 0.752 nan 8.190 nan 0.000 0.426 60 L N 3.993 125.175 121.223 -0.068 0.000 2.400 60 L HA 0.842 5.182 4.340 -0.000 0.000 0.264 60 L C -0.191 176.710 176.870 0.051 0.000 1.061 60 L CA -0.527 54.261 54.840 -0.088 0.000 0.799 60 L CB 1.493 43.335 42.059 -0.363 0.000 1.240 60 L HN 0.808 nan 8.230 nan 0.000 0.461 61 D N -2.333 118.154 120.400 0.146 0.000 2.744 61 D HA 0.181 4.821 4.640 -0.000 0.000 0.304 61 D C -0.103 176.270 176.300 0.121 0.000 1.179 61 D CA -0.594 53.479 54.000 0.122 0.000 1.024 61 D CB 0.597 41.482 40.800 0.142 0.000 1.453 61 D HN 0.342 nan 8.370 nan 0.000 0.529 62 D N -1.422 118.987 120.400 0.016 0.000 2.144 62 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 62 D C 1.622 177.929 176.300 0.011 0.000 0.984 62 D CA 1.248 55.233 54.000 -0.024 0.000 0.834 62 D CB -0.108 40.623 40.800 -0.115 0.000 0.955 62 D HN 0.366 nan 8.370 nan 0.000 0.465 63 H N -0.901 118.235 119.070 0.110 0.000 2.319 63 H HA -0.187 4.369 4.556 -0.000 0.000 0.297 63 H C 1.966 177.333 175.328 0.065 0.000 1.097 63 H CA 1.397 57.502 56.048 0.096 0.000 1.285 63 H CB -0.796 29.055 29.762 0.148 0.000 1.368 63 H HN 0.323 nan 8.280 nan 0.000 0.495 64 Y N 1.938 122.264 120.300 0.044 0.000 2.114 64 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 64 Y C 2.714 178.564 175.900 -0.084 0.000 1.143 64 Y CA 1.651 59.654 58.100 -0.161 0.000 1.135 64 Y CB -0.098 38.185 38.460 -0.296 0.000 0.980 64 Y HN -0.011 nan 8.280 nan 0.000 0.499 65 R N 0.035 120.607 120.500 0.120 0.000 2.105 65 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 65 R C 1.733 178.005 176.300 -0.046 0.000 1.135 65 R CA 1.550 57.662 56.100 0.021 0.000 0.967 65 R CB -0.437 29.908 30.300 0.075 0.000 0.861 65 R HN 0.420 nan 8.270 nan 0.000 0.442 66 D N 0.205 120.597 120.400 -0.013 0.000 2.117 66 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 66 D C 2.018 178.298 176.300 -0.034 0.000 0.982 66 D CA 0.972 54.967 54.000 -0.010 0.000 0.828 66 D CB -0.162 40.654 40.800 0.027 0.000 0.967 66 D HN 0.004 nan 8.370 nan 0.000 0.464 67 V N 1.145 121.020 119.914 -0.064 0.000 2.358 67 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 67 V C 2.428 178.452 176.094 -0.118 0.000 1.047 67 V CA 0.928 63.178 62.300 -0.083 0.000 1.035 67 V CB -0.393 31.353 31.823 -0.129 0.000 0.658 67 V HN 0.129 nan 8.190 nan 0.000 0.452 68 L N 0.272 121.357 121.223 -0.231 0.000 2.046 68 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 68 L C 2.342 179.140 176.870 -0.120 0.000 1.077 68 L CA 1.956 56.653 54.840 -0.239 0.000 0.747 68 L CB -0.724 41.106 42.059 -0.382 0.000 0.896 68 L HN 0.215 nan 8.230 nan 0.000 0.432 69 K N -0.401 119.947 120.400 -0.087 0.000 2.097 69 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 69 K C 0.832 177.413 176.600 -0.032 0.000 1.050 69 K CA 0.673 56.931 56.287 -0.048 0.000 0.938 69 K CB -0.147 32.335 32.500 -0.031 0.000 0.718 69 K HN 0.501 nan 8.250 nan 0.000 0.442 73 A N 2.562 125.370 122.820 -0.021 0.000 1.892 73 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 73 A C 1.871 179.445 177.584 -0.018 0.000 1.188 73 A CA 1.872 53.900 52.037 -0.015 0.000 0.631 73 A CB -0.400 18.593 19.000 -0.010 0.000 0.822 73 A HN 0.222 nan 8.150 nan 0.000 0.447 74 K N -0.522 119.864 120.400 -0.023 0.000 2.103 74 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 74 K C 2.265 178.842 176.600 -0.038 0.000 1.052 74 K CA 0.939 57.207 56.287 -0.031 0.000 0.945 74 K CB -0.314 32.162 32.500 -0.040 0.000 0.722 74 K HN 0.433 nan 8.250 nan 0.000 0.443 75 A N 1.357 124.155 122.820 -0.037 0.000 1.972 75 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 75 A C 2.082 179.655 177.584 -0.018 0.000 1.169 75 A CA 1.475 53.493 52.037 -0.030 0.000 0.635 75 A CB -0.401 18.587 19.000 -0.020 0.000 0.810 75 A HN 0.139 nan 8.150 nan 0.000 0.446 76 S N -0.446 115.245 115.700 -0.016 0.000 2.595 76 S HA -0.045 4.425 4.470 -0.000 0.000 0.235 76 S C 1.652 176.245 174.600 -0.012 0.000 0.974 76 S CA 1.331 59.525 58.200 -0.010 0.000 0.942 76 S CB -0.405 62.790 63.200 -0.009 0.000 0.766 76 S HN 0.882 nan 8.310 nan 0.000 0.536 77 T N -1.608 112.935 114.554 -0.019 0.000 3.054 77 T HA 0.308 4.658 4.350 -0.000 0.000 0.255 77 T C 0.259 174.945 174.700 -0.024 0.000 1.035 77 T CA -0.249 61.840 62.100 -0.020 0.000 0.941 77 T CB -0.010 68.844 68.868 -0.023 0.000 1.026 77 T HN -0.023 nan 8.240 nan 0.000 0.533 78 V N 1.807 121.706 119.914 -0.025 0.000 2.472 78 V HA 0.488 4.608 4.120 -0.000 0.000 0.290 78 V C -0.201 175.880 176.094 -0.021 0.000 1.037 78 V CA -0.916 61.366 62.300 -0.030 0.000 0.908 78 V CB 1.554 33.354 31.823 -0.039 0.000 0.985 78 V HN 0.306 nan 8.190 nan 0.000 0.454 79 K N 3.209 123.595 120.400 -0.023 0.000 2.376 79 K HA 0.820 5.140 4.320 -0.000 0.000 0.257 79 K C -0.718 175.871 176.600 -0.019 0.000 0.939 79 K CA -0.428 55.850 56.287 -0.015 0.000 0.809 79 K CB 2.329 34.822 32.500 -0.012 0.000 1.121 79 K HN 0.802 nan 8.250 nan 0.000 0.425 80 A N 3.013 125.825 122.820 -0.014 0.000 2.371 80 A HA 0.482 4.802 4.320 -0.000 0.000 0.311 80 A C -0.902 176.681 177.584 -0.002 0.000 1.068 80 A CA -0.918 51.109 52.037 -0.017 0.000 0.744 80 A CB 0.891 19.873 19.000 -0.030 0.000 1.239 80 A HN 0.801 nan 8.150 nan 0.000 0.435 81 K N 2.208 122.608 120.400 0.000 0.000 2.098 81 K HA 0.757 5.077 4.320 -0.000 0.000 0.258 81 K C -1.009 175.597 176.600 0.009 0.000 0.973 81 K CA -0.605 55.685 56.287 0.005 0.000 0.898 81 K CB 1.151 33.650 32.500 -0.002 0.000 1.057 81 K HN 0.512 nan 8.250 nan 0.000 0.447 82 L N 2.752 123.977 121.223 0.004 0.000 2.417 82 L HA 0.238 4.578 4.340 -0.000 0.000 0.268 82 L C -0.087 176.744 176.870 -0.065 0.000 1.158 82 L CA -0.700 54.132 54.840 -0.015 0.000 0.819 82 L CB 0.615 42.666 42.059 -0.014 0.000 1.112 82 L HN 0.525 nan 8.230 nan 0.000 0.458 83 L N 1.656 122.815 121.223 -0.108 0.000 2.360 83 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 83 L C 0.448 177.172 176.870 -0.244 0.000 1.057 83 L CA -0.405 54.348 54.840 -0.145 0.000 0.803 83 L CB 1.890 43.862 42.059 -0.146 0.000 1.207 83 L HN 0.696 nan 8.230 nan 0.000 0.445 84 S N 0.345 115.912 115.700 -0.221 0.000 2.632 84 S HA 0.217 4.687 4.470 -0.000 0.000 0.271 84 S C 1.108 175.521 174.600 -0.312 0.000 1.260 84 S CA -0.904 57.139 58.200 -0.261 0.000 1.010 84 S CB 1.728 64.824 63.200 -0.173 0.000 0.965 84 S HN 0.334 nan 8.310 nan 0.000 0.534 85 V N 1.870 121.549 119.914 -0.391 0.000 2.278 85 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 85 V C 2.596 178.531 176.094 -0.264 0.000 1.062 85 V CA 2.560 64.614 62.300 -0.410 0.000 1.038 85 V CB -1.312 30.160 31.823 -0.585 0.000 0.646 85 V HN 0.902 nan 8.190 nan 0.000 0.447 86 E N -0.027 120.052 120.200 -0.201 0.000 2.051 86 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 86 E C 2.187 178.693 176.600 -0.155 0.000 0.991 86 E CA 1.562 57.873 56.400 -0.149 0.000 0.799 86 E CB -0.301 29.334 29.700 -0.109 0.000 0.748 86 E HN 0.696 nan 8.360 nan 0.000 0.449 87 E N 0.441 120.542 120.200 -0.166 0.000 2.038 87 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 87 E C 2.122 178.593 176.600 -0.216 0.000 1.000 87 E CA 1.140 57.433 56.400 -0.178 0.000 0.803 87 E CB -0.294 29.302 29.700 -0.174 0.000 0.750 87 E HN 0.290 nan 8.360 nan 0.000 0.448 88 A N 0.729 123.414 122.820 -0.226 0.000 1.986 88 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 88 A C 2.375 179.851 177.584 -0.180 0.000 1.171 88 A CA 1.389 53.293 52.037 -0.222 0.000 0.640 88 A CB -0.872 18.007 19.000 -0.202 0.000 0.811 88 A HN 0.380 nan 8.150 nan 0.000 0.451 89 C N -0.859 118.344 119.300 -0.161 0.000 2.476 89 C HA -0.007 4.453 4.460 -0.000 0.000 0.278 89 C C 2.524 177.440 174.990 -0.123 0.000 1.274 89 C CA 1.132 60.077 59.018 -0.122 0.000 1.713 89 C CB -0.912 26.759 27.740 -0.116 0.000 2.039 89 C HN 0.614 nan 8.230 nan 0.000 0.484 90 K N 0.637 120.954 120.400 -0.138 0.000 2.442 90 K HA 0.015 4.335 4.320 -0.000 0.000 0.198 90 K C 1.379 177.885 176.600 -0.157 0.000 1.042 90 K CA 0.780 56.987 56.287 -0.132 0.000 0.958 90 K CB -0.095 32.329 32.500 -0.126 0.000 0.766 90 K HN 0.535 nan 8.250 nan 0.000 0.474 91 L N 0.922 122.028 121.223 -0.195 0.000 2.616 91 L HA 0.037 4.376 4.340 -0.000 0.000 0.229 91 L C 0.347 177.119 176.870 -0.163 0.000 1.110 91 L CA 0.006 54.708 54.840 -0.230 0.000 0.884 91 L CB 0.044 41.855 42.059 -0.413 0.000 1.115 91 L HN 0.132 nan 8.230 nan 0.000 0.481 92 T N -0.125 114.355 114.554 -0.125 0.000 2.851 92 T HA 0.224 4.574 4.350 -0.000 0.000 0.298 92 T C -2.318 172.327 174.700 -0.092 0.000 0.977 92 T CA -1.595 60.455 62.100 -0.083 0.000 1.126 92 T CB 0.484 69.323 68.868 -0.049 0.000 0.916 92 T HN -0.051 nan 8.240 nan 0.000 0.529 93 P HA 0.073 nan 4.420 nan 0.000 0.265 93 P C -1.613 175.602 177.300 -0.143 0.000 1.187 93 P CA -1.337 61.700 63.100 -0.106 0.000 0.766 93 P CB 0.250 31.906 31.700 -0.074 0.000 0.820 94 P HA -0.166 nan 4.420 nan 0.000 0.217 94 P C 0.257 177.238 177.300 -0.531 0.000 1.148 94 P CA 1.836 64.687 63.100 -0.415 0.000 0.828 94 P CB -0.176 31.186 31.700 -0.562 0.000 0.783 95 H N -1.188 117.858 119.070 -0.041 0.000 2.502 95 H HA 0.322 4.878 4.556 -0.000 0.000 0.268 95 H C 0.399 175.693 175.328 -0.057 0.000 1.177 95 H CA -0.483 55.541 56.048 -0.040 0.000 0.961 95 H CB 0.020 29.759 29.762 -0.039 0.000 1.737 95 H HN 0.025 nan 8.280 nan 0.000 0.569 96 S N 0.834 116.529 115.700 -0.008 0.000 2.608 96 S HA 0.445 4.915 4.470 -0.000 0.000 0.261 96 S C 0.799 175.367 174.600 -0.052 0.000 1.314 96 S CA -0.573 57.598 58.200 -0.049 0.000 0.992 96 S CB 0.870 64.040 63.200 -0.051 0.000 0.935 96 S HN 0.563 nan 8.310 nan 0.000 0.564 97 A N 1.939 124.684 122.820 -0.125 0.000 2.477 97 A HA 0.287 4.607 4.320 -0.000 0.000 0.246 97 A C 0.580 178.143 177.584 -0.035 0.000 1.078 97 A CA -0.450 51.528 52.037 -0.099 0.000 0.770 97 A CB -0.023 18.849 19.000 -0.213 0.000 1.011 97 A HN 0.619 nan 8.150 nan 0.000 0.494 98 K N 1.393 121.783 120.400 -0.017 0.000 2.285 98 K HA 0.116 4.436 4.320 -0.000 0.000 0.255 98 K C 0.504 177.057 176.600 -0.078 0.000 1.000 98 K CA 0.096 56.356 56.287 -0.045 0.000 0.887 98 K CB 0.075 32.555 32.500 -0.034 0.000 0.997 98 K HN 0.578 nan 8.250 nan 0.000 0.510 99 S N -0.154 115.406 115.700 -0.234 0.000 2.578 99 S HA 0.151 4.621 4.470 -0.000 0.000 0.283 99 S C 0.464 174.952 174.600 -0.187 0.000 1.195 99 S CA -0.710 57.337 58.200 -0.255 0.000 1.050 99 S CB 0.649 63.408 63.200 -0.734 0.000 1.012 99 S HN 0.412 nan 8.310 nan 0.000 0.511 100 K N 2.490 122.839 120.400 -0.084 0.000 2.616 100 K HA 0.040 4.360 4.320 -0.000 0.000 0.192 100 K C -0.513 175.733 176.600 -0.590 0.000 1.031 100 K CA 0.762 56.871 56.287 -0.297 0.000 1.004 100 K CB -0.168 32.122 32.500 -0.350 0.000 0.810 100 K HN 0.535 nan 8.250 nan 0.000 0.497 101 F N -0.152 119.623 119.950 -0.292 0.000 2.791 101 F HA 0.267 4.794 4.527 -0.000 0.000 0.308 101 F C 1.083 176.787 175.800 -0.161 0.000 1.138 101 F CA -0.595 57.242 58.000 -0.272 0.000 1.294 101 F CB 1.052 39.735 39.000 -0.529 0.000 0.975 101 F HN 0.079 nan 8.300 nan 0.000 0.512 102 G N 0.462 109.235 108.800 -0.045 0.000 2.132 102 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.234 102 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.234 102 G C -0.342 174.652 174.900 0.157 0.000 0.989 102 G CA 0.161 45.294 45.100 0.055 0.000 0.676 102 G HN 0.552 nan 8.290 nan 0.000 0.522 103 Y N -2.396 117.918 120.300 0.023 0.000 2.609 103 Y HA 0.766 5.316 4.550 -0.000 0.000 0.336 103 Y C 0.365 176.286 175.900 0.034 0.000 1.129 103 Y CA -1.006 57.110 58.100 0.026 0.000 1.040 103 Y CB 0.649 39.126 38.460 0.028 0.000 1.310 103 Y HN 0.659 nan 8.280 nan 0.000 0.460 104 G N 0.096 109.009 108.800 0.189 0.000 3.175 104 G HA2 0.550 4.510 3.960 -0.000 0.000 0.255 104 G HA3 0.550 4.510 3.960 -0.000 0.000 0.255 104 G C 0.259 175.244 174.900 0.142 0.000 1.352 104 G CA -0.727 44.432 45.100 0.099 0.000 1.037 104 G HN 1.152 nan 8.290 nan 0.000 0.556 105 A N -0.259 122.600 122.820 0.065 0.000 1.877 105 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 105 A C 2.354 179.946 177.584 0.013 0.000 1.186 105 A CA 1.958 54.013 52.037 0.030 0.000 0.620 105 A CB -0.450 18.534 19.000 -0.027 0.000 0.822 105 A HN 0.430 nan 8.150 nan 0.000 0.443 106 K N 0.560 120.964 120.400 0.007 0.000 2.044 106 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 106 K C 1.503 178.112 176.600 0.015 0.000 1.049 106 K CA 1.578 57.863 56.287 -0.005 0.000 0.927 106 K CB -0.931 31.574 32.500 0.008 0.000 0.713 106 K HN 0.538 nan 8.250 nan 0.000 0.443 107 D N 0.920 121.353 120.400 0.054 0.000 2.116 107 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 107 D C 2.130 178.443 176.300 0.021 0.000 0.998 107 D CA 1.091 55.125 54.000 0.057 0.000 0.836 107 D CB -0.185 40.695 40.800 0.134 0.000 0.951 107 D HN -0.055 nan 8.370 nan 0.000 0.449 108 V N 1.764 121.710 119.914 0.054 0.000 2.261 108 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 108 V C 2.489 178.562 176.094 -0.033 0.000 1.047 108 V CA 1.491 63.795 62.300 0.007 0.000 1.015 108 V CB -0.383 31.473 31.823 0.055 0.000 0.642 108 V HN 0.158 nan 8.190 nan 0.000 0.446 109 R N 0.688 121.168 120.500 -0.033 0.000 2.211 109 R HA -0.138 4.202 4.340 -0.000 0.000 0.240 109 R C 1.508 177.777 176.300 -0.053 0.000 1.144 109 R CA 1.315 57.380 56.100 -0.057 0.000 0.992 109 R CB -0.538 29.722 30.300 -0.067 0.000 0.869 109 R HN 0.535 nan 8.270 nan 0.000 0.462 110 N N 0.616 119.292 118.700 -0.039 0.000 2.336 110 N HA 0.105 4.845 4.740 -0.000 0.000 0.189 110 N C 0.351 175.836 175.510 -0.043 0.000 1.113 110 N CA 0.075 53.103 53.050 -0.036 0.000 0.858 110 N CB 0.328 38.802 38.487 -0.023 0.000 0.970 110 N HN 0.129 nan 8.380 nan 0.000 0.471 111 L N 1.029 122.219 121.223 -0.055 0.000 3.634 111 L HA -0.220 4.120 4.340 -0.000 0.000 0.423 111 L C 0.199 177.034 176.870 -0.057 0.000 1.253 111 L CA -0.044 54.758 54.840 -0.064 0.000 0.885 111 L CB -2.438 39.586 42.059 -0.057 0.000 1.789 111 L HN 0.163 nan 8.230 nan 0.000 0.904 112 S N -2.246 113.418 115.700 -0.060 0.000 2.584 112 S HA 0.320 4.790 4.470 -0.000 0.000 0.270 112 S C 1.380 175.940 174.600 -0.067 0.000 1.346 112 S CA -0.042 58.129 58.200 -0.050 0.000 1.018 112 S CB 1.825 65.005 63.200 -0.033 0.000 0.899 112 S HN 0.274 nan 8.310 nan 0.000 0.542 113 S N 1.725 117.399 115.700 -0.042 0.000 2.359 113 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 113 S C 1.842 176.409 174.600 -0.055 0.000 1.039 113 S CA 1.544 59.723 58.200 -0.035 0.000 1.042 113 S CB -0.582 62.609 63.200 -0.014 0.000 0.915 113 S HN 0.808 nan 8.310 nan 0.000 0.439 114 K N 0.956 121.323 120.400 -0.055 0.000 2.020 114 K HA -0.186 4.134 4.320 -0.000 0.000 0.212 114 K C 2.308 178.750 176.600 -0.263 0.000 1.050 114 K CA 1.436 57.684 56.287 -0.065 0.000 0.929 114 K CB -0.380 32.129 32.500 0.014 0.000 0.714 114 K HN 0.335 nan 8.250 nan 0.000 0.443 115 A N 0.514 123.047 122.820 -0.478 0.000 1.832 115 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 115 A C 2.258 179.581 177.584 -0.436 0.000 1.200 115 A CA 1.716 53.190 52.037 -0.938 0.000 0.610 115 A CB -0.912 17.681 19.000 -0.678 0.000 0.842 115 A HN 0.146 nan 8.150 nan 0.000 0.444 116 V N 1.278 121.055 119.914 -0.229 0.000 2.277 116 V HA -0.362 3.758 4.120 -0.000 0.000 0.253 116 V C 2.435 178.532 176.094 0.005 0.000 1.067 116 V CA 2.423 64.659 62.300 -0.106 0.000 1.047 116 V CB -1.179 30.620 31.823 -0.040 0.000 0.649 116 V HN 0.565 nan 8.190 nan 0.000 0.447 117 N N -0.800 117.908 118.700 0.013 0.000 2.025 117 N HA -0.196 4.544 4.740 -0.000 0.000 0.194 117 N C 1.895 177.456 175.510 0.085 0.000 1.044 117 N CA 1.896 54.989 53.050 0.073 0.000 0.851 117 N CB -0.709 37.803 38.487 0.042 0.000 1.036 117 N HN 0.677 nan 8.380 nan 0.000 0.422 118 H N 1.278 120.312 119.070 -0.060 0.000 2.289 118 H HA -0.114 4.442 4.556 -0.000 0.000 0.296 118 H C 1.909 177.227 175.328 -0.017 0.000 1.091 118 H CA 1.638 57.668 56.048 -0.030 0.000 1.274 118 H CB 0.005 29.784 29.762 0.029 0.000 1.364 118 H HN 0.056 nan 8.280 nan 0.000 0.490 119 I N 0.877 121.391 120.570 -0.092 0.000 2.087 119 I HA -0.365 3.805 4.170 -0.000 0.000 0.240 119 I C 2.530 178.596 176.117 -0.085 0.000 1.054 119 I CA 1.556 62.782 61.300 -0.122 0.000 1.311 119 I CB -1.713 36.193 38.000 -0.156 0.000 1.024 119 I HN 0.458 nan 8.210 nan 0.000 0.402 120 H N 1.326 120.366 119.070 -0.050 0.000 2.357 120 H HA -0.152 4.404 4.556 -0.000 0.000 0.296 120 H C 2.548 177.905 175.328 0.048 0.000 1.108 120 H CA 2.295 58.350 56.048 0.011 0.000 1.273 120 H CB -0.107 29.643 29.762 -0.019 0.000 1.367 120 H HN 0.497 nan 8.280 nan 0.000 0.498 121 S N -0.176 115.573 115.700 0.081 0.000 2.395 121 S HA -0.051 4.419 4.470 -0.000 0.000 0.225 121 S C 2.402 176.961 174.600 -0.068 0.000 1.027 121 S CA 0.930 59.132 58.200 0.002 0.000 0.965 121 S CB -0.725 62.450 63.200 -0.042 0.000 0.812 121 S HN 0.107 nan 8.310 nan 0.000 0.482 122 V N 1.044 120.849 119.914 -0.182 0.000 2.490 122 V HA -0.134 3.986 4.120 -0.000 0.000 0.250 122 V C 2.182 178.254 176.094 -0.038 0.000 1.061 122 V CA 1.785 63.967 62.300 -0.197 0.000 1.064 122 V CB -0.966 30.681 31.823 -0.292 0.000 0.670 122 V HN 0.732 nan 8.190 nan 0.000 0.461 123 W N 1.285 122.506 121.300 -0.131 0.000 2.409 123 W HA -0.139 4.521 4.660 -0.000 0.000 0.299 123 W C 2.400 178.887 176.519 -0.054 0.000 1.203 123 W CA 1.753 59.047 57.345 -0.086 0.000 1.298 123 W CB -0.054 29.354 29.460 -0.087 0.000 1.127 123 W HN 0.229 nan 8.180 nan 0.000 0.528 124 K N 0.698 121.119 120.400 0.035 0.000 2.209 124 K HA -0.242 4.078 4.320 -0.000 0.000 0.204 124 K C 1.639 178.157 176.600 -0.136 0.000 1.048 124 K CA 2.125 58.384 56.287 -0.046 0.000 0.940 124 K CB -0.402 32.126 32.500 0.047 0.000 0.729 124 K HN 0.030 nan 8.250 nan 0.000 0.451 125 D N -0.036 120.286 120.400 -0.129 0.000 2.162 125 D HA -0.083 4.557 4.640 -0.000 0.000 0.203 125 D C 1.869 178.061 176.300 -0.180 0.000 0.967 125 D CA 0.672 54.595 54.000 -0.129 0.000 0.840 125 D CB 0.142 40.880 40.800 -0.103 0.000 0.972 125 D HN 0.153 nan 8.370 nan 0.000 0.482 126 L N 0.130 121.199 121.223 -0.256 0.000 2.012 126 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 126 L C 2.511 179.187 176.870 -0.323 0.000 1.073 126 L CA 0.910 55.569 54.840 -0.302 0.000 0.748 126 L CB -0.436 41.372 42.059 -0.418 0.000 0.891 126 L HN 0.237 nan 8.230 nan 0.000 0.431 127 L N -0.725 120.242 121.223 -0.427 0.000 2.046 127 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 127 L C 2.448 179.201 176.870 -0.194 0.000 1.077 127 L CA 1.469 56.106 54.840 -0.338 0.000 0.747 127 L CB -0.455 41.382 42.059 -0.371 0.000 0.896 127 L HN 0.304 nan 8.230 nan 0.000 0.432 128 E N -0.911 119.192 120.200 -0.161 0.000 2.076 128 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 128 E C 0.479 177.025 176.600 -0.089 0.000 0.979 128 E CA 0.441 56.780 56.400 -0.103 0.000 0.807 128 E CB 0.255 29.907 29.700 -0.080 0.000 0.761 128 E HN 0.215 nan 8.360 nan 0.000 0.454 129 D N 0.058 120.399 120.400 -0.100 0.000 2.349 129 D HA 0.041 4.680 4.640 -0.000 0.000 0.232 129 D C -0.318 175.926 176.300 -0.094 0.000 1.071 129 D CA -0.185 53.767 54.000 -0.080 0.000 0.832 129 D CB 1.348 42.108 40.800 -0.067 0.000 1.086 129 D HN -0.018 nan 8.370 nan 0.000 0.504 130 T N 0.765 115.272 114.554 -0.078 0.000 3.266 130 T HA 0.280 4.630 4.350 -0.000 0.000 0.278 130 T C 0.946 175.609 174.700 -0.062 0.000 1.010 130 T CA -0.013 62.037 62.100 -0.082 0.000 0.909 130 T CB -0.315 68.506 68.868 -0.077 0.000 1.122 130 T HN 0.185 nan 8.240 nan 0.000 0.536 131 V N -3.018 116.865 119.914 -0.052 0.000 3.193 131 V HA 0.311 4.431 4.120 -0.000 0.000 0.237 131 V C 0.800 176.878 176.094 -0.027 0.000 1.447 131 V CA -0.186 62.093 62.300 -0.036 0.000 1.227 131 V CB -0.636 31.170 31.823 -0.028 0.000 1.040 131 V HN 0.343 nan 8.190 nan 0.000 0.458 132 T N 4.736 119.274 114.554 -0.027 0.000 2.778 132 T HA 0.183 4.533 4.350 -0.000 0.000 0.282 132 T C -2.411 172.282 174.700 -0.012 0.000 0.983 132 T CA 0.162 62.254 62.100 -0.013 0.000 1.193 132 T CB 0.228 69.089 68.868 -0.013 0.000 0.938 132 T HN 0.309 nan 8.240 nan 0.000 0.523 133 P HA 0.126 nan 4.420 nan 0.000 0.263 133 P C 0.045 177.343 177.300 -0.003 0.000 1.195 133 P CA -0.045 63.062 63.100 0.011 0.000 0.762 133 P CB 0.222 31.965 31.700 0.071 0.000 0.799 134 I N 2.740 123.292 120.570 -0.029 0.000 2.575 134 I HA 0.072 4.242 4.170 -0.000 0.000 0.285 134 I C 1.138 177.247 176.117 -0.014 0.000 1.085 134 I CA 0.008 61.296 61.300 -0.021 0.000 1.403 134 I CB 0.349 38.324 38.000 -0.042 0.000 1.409 134 I HN 0.272 nan 8.210 nan 0.000 0.557 135 D N 4.462 124.871 120.400 0.014 0.000 2.345 135 D HA 0.191 4.831 4.640 -0.000 0.000 0.247 135 D C -0.380 175.913 176.300 -0.011 0.000 1.108 135 D CA 0.253 54.256 54.000 0.006 0.000 0.894 135 D CB 1.180 42.002 40.800 0.036 0.000 1.203 135 D HN 0.645 nan 8.370 nan 0.000 0.430 136 T N -0.881 113.637 114.554 -0.061 0.000 2.903 136 T HA 0.500 4.850 4.350 -0.000 0.000 0.299 136 T C -0.178 174.399 174.700 -0.204 0.000 1.093 136 T CA -0.935 61.094 62.100 -0.120 0.000 1.002 136 T CB 1.825 70.635 68.868 -0.097 0.000 1.127 136 T HN 0.261 nan 8.240 nan 0.000 0.488 137 T N 1.303 115.595 114.554 -0.437 0.000 2.888 137 T HA 0.698 5.048 4.350 -0.000 0.000 0.284 137 T C -0.360 174.053 174.700 -0.478 0.000 1.017 137 T CA -0.916 60.907 62.100 -0.461 0.000 1.022 137 T CB 0.929 69.465 68.868 -0.553 0.000 1.013 137 T HN 0.813 nan 8.240 nan 0.000 0.465 141 K N 1.557 122.008 120.400 0.084 0.000 2.326 141 K HA 0.233 4.553 4.320 -0.000 0.000 0.275 141 K C -0.275 176.349 176.600 0.039 0.000 1.018 141 K CA 0.045 56.370 56.287 0.063 0.000 0.962 141 K CB 0.267 32.811 32.500 0.072 0.000 0.953 141 K HN 0.749 nan 8.250 nan 0.000 0.475 142 N N 3.723 122.416 118.700 -0.012 0.000 2.546 142 N HA 0.117 4.857 4.740 -0.000 0.000 0.238 142 N C -1.424 173.969 175.510 -0.196 0.000 0.984 142 N CA -0.458 52.553 53.050 -0.066 0.000 0.935 142 N CB 1.106 39.556 38.487 -0.062 0.000 1.122 142 N HN 0.479 nan 8.380 nan 0.000 0.510 143 E N 1.083 121.126 120.200 -0.261 0.000 2.288 143 E HA 0.376 4.726 4.350 -0.000 0.000 0.268 143 E C -0.772 175.226 176.600 -1.004 0.000 0.885 143 E CA -0.941 55.112 56.400 -0.578 0.000 0.767 143 E CB 2.602 31.996 29.700 -0.510 0.000 1.220 143 E HN 0.082 nan 8.360 nan 0.000 0.427 144 V N 3.054 122.287 119.914 -1.136 0.000 2.546 144 V HA 0.409 4.529 4.120 -0.000 0.000 0.284 144 V C -0.592 174.712 176.094 -1.317 0.000 1.050 144 V CA 0.163 61.803 62.300 -1.100 0.000 0.981 144 V CB -0.070 31.236 31.823 -0.862 0.000 0.990 144 V HN 0.534 nan 8.190 nan 0.000 0.474 145 F N 2.225 121.832 119.950 -0.573 0.000 2.754 145 F HA 0.638 5.165 4.527 -0.000 0.000 0.320 145 F C -0.096 175.472 175.800 -0.388 0.000 1.156 145 F CA -0.766 56.945 58.000 -0.483 0.000 0.950 145 F CB 1.528 40.205 39.000 -0.537 0.000 1.388 145 F HN 0.550 nan 8.300 nan 0.000 0.485 146 C N 1.753 121.118 119.300 0.107 0.000 2.507 146 C HA 0.834 5.294 4.460 -0.000 0.000 0.319 146 C C -0.349 174.821 174.990 0.300 0.000 1.208 146 C CA -0.549 58.578 59.018 0.180 0.000 1.619 146 C CB 0.572 28.382 27.740 0.115 0.000 2.230 146 C HN 0.589 nan 8.230 nan 0.000 0.492 147 V N 5.741 125.867 119.914 0.352 0.000 2.901 147 V HA 0.181 4.301 4.120 -0.000 0.000 0.307 147 V C 0.230 176.409 176.094 0.142 0.000 1.084 147 V CA 0.601 63.061 62.300 0.267 0.000 1.184 147 V CB 0.483 32.403 31.823 0.163 0.000 0.941 147 V HN 0.909 nan 8.190 nan 0.000 0.493 148 Q N 4.536 124.392 119.800 0.094 0.000 2.891 148 Q HA 0.237 4.577 4.340 -0.000 0.000 0.242 148 Q C -1.839 174.173 176.000 0.020 0.000 0.959 148 Q CA -1.531 54.299 55.803 0.045 0.000 0.707 148 Q CB 1.921 30.677 28.738 0.029 0.000 1.283 148 Q HN 0.570 nan 8.270 nan 0.000 0.480 149 P HA -0.287 nan 4.420 nan 0.000 0.217 149 P C 0.992 178.289 177.300 -0.004 0.000 1.148 149 P CA 1.470 64.571 63.100 0.002 0.000 0.828 149 P CB 0.302 32.003 31.700 0.002 0.000 0.783 150 E N -0.353 119.845 120.200 -0.003 0.000 2.333 150 E HA -0.160 4.190 4.350 -0.000 0.000 0.200 150 E C 0.932 177.525 176.600 -0.011 0.000 1.010 150 E CA 1.157 57.553 56.400 -0.007 0.000 0.841 150 E CB -0.150 29.546 29.700 -0.008 0.000 0.757 150 E HN 0.246 nan 8.360 nan 0.000 0.508 151 K N -1.394 118.999 120.400 -0.012 0.000 1.740 151 K HA 0.337 4.657 4.320 -0.000 0.000 0.273 151 K C 1.286 177.874 176.600 -0.020 0.000 0.796 151 K CA 0.055 56.332 56.287 -0.017 0.000 0.535 151 K CB -0.534 31.954 32.500 -0.021 0.000 2.513 151 K HN 0.009 nan 8.250 nan 0.000 0.873 152 G N 0.430 109.215 108.800 -0.025 0.000 2.501 152 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.220 152 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.220 152 G C 0.991 175.869 174.900 -0.035 0.000 1.114 152 G CA 2.105 47.186 45.100 -0.031 0.000 0.757 152 G HN 0.792 nan 8.290 nan 0.000 0.559 153 G N 0.009 108.796 108.800 -0.022 0.000 5.426 153 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.297 153 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.297 153 G C 0.619 175.520 174.900 0.002 0.000 1.422 153 G CA 0.337 45.432 45.100 -0.009 0.000 0.938 153 G HN 0.681 nan 8.290 nan 0.000 0.754 154 R N 2.198 122.643 120.500 -0.091 0.000 2.265 154 R HA 0.438 4.778 4.340 -0.000 0.000 0.314 154 R C 0.216 176.497 176.300 -0.032 0.000 1.053 154 R CA -0.148 55.848 56.100 -0.174 0.000 0.931 154 R CB 0.837 30.874 30.300 -0.438 0.000 1.024 154 R HN 0.641 nan 8.270 nan 0.000 0.457 155 K N 3.878 124.345 120.400 0.113 0.000 2.185 155 K HA 0.368 4.687 4.320 -0.000 0.000 0.269 155 K C -2.387 174.264 176.600 0.084 0.000 0.987 155 K CA -1.996 54.297 56.287 0.009 0.000 0.865 155 K CB 1.452 33.850 32.500 -0.170 0.000 1.090 155 K HN 0.284 nan 8.250 nan 0.000 0.450 156 P HA -0.081 nan 4.420 nan 0.000 0.262 156 P C -0.109 177.238 177.300 0.077 0.000 1.182 156 P CA 0.040 63.167 63.100 0.045 0.000 0.761 156 P CB 0.557 32.257 31.700 0.000 0.000 0.795 157 A N 5.233 128.118 122.820 0.108 0.000 2.624 157 A HA -0.097 4.223 4.320 -0.000 0.000 0.231 157 A C 0.770 178.409 177.584 0.092 0.000 1.034 157 A CA 0.364 52.475 52.037 0.124 0.000 0.754 157 A CB -0.316 18.741 19.000 0.095 0.000 0.953 157 A HN 0.540 nan 8.150 nan 0.000 0.509 158 R N 0.650 121.220 120.500 0.117 0.000 2.594 158 R HA 0.374 4.714 4.340 -0.000 0.000 0.272 158 R C -0.638 175.719 176.300 0.095 0.000 1.074 158 R CA -0.193 55.969 56.100 0.104 0.000 1.105 158 R CB 0.397 30.772 30.300 0.125 0.000 1.008 158 R HN 0.673 nan 8.270 nan 0.000 0.472 159 L N 5.062 126.343 121.223 0.096 0.000 2.282 159 L HA 0.481 4.821 4.340 -0.000 0.000 0.288 159 L C 0.056 177.019 176.870 0.155 0.000 1.033 159 L CA -0.644 54.261 54.840 0.108 0.000 0.807 159 L CB 1.169 43.277 42.059 0.081 0.000 1.209 159 L HN 0.534 nan 8.230 nan 0.000 0.423 160 I N 1.305 121.982 120.570 0.178 0.000 2.433 160 I HA 0.630 4.800 4.170 -0.000 0.000 0.292 160 I C -0.759 175.511 176.117 0.255 0.000 1.001 160 I CA -0.863 60.574 61.300 0.229 0.000 1.119 160 I CB 1.958 40.109 38.000 0.253 0.000 1.289 160 I HN 0.144 nan 8.210 nan 0.000 0.438 161 V N 7.114 127.170 119.914 0.237 0.000 2.409 161 V HA 0.578 4.698 4.120 -0.000 0.000 0.291 161 V C -0.520 175.703 176.094 0.214 0.000 1.020 161 V CA -0.390 61.992 62.300 0.137 0.000 0.848 161 V CB 1.136 33.032 31.823 0.122 0.000 0.990 161 V HN 0.703 nan 8.190 nan 0.000 0.430 162 F N 4.628 124.629 119.950 0.085 0.000 2.588 162 F HA 0.705 5.232 4.527 -0.000 0.000 0.310 162 F C -2.230 173.616 175.800 0.077 0.000 1.082 162 F CA -2.495 55.554 58.000 0.083 0.000 0.929 162 F CB 1.715 40.760 39.000 0.076 0.000 1.254 162 F HN 0.289 nan 8.300 nan 0.000 0.455 163 P HA -0.049 nan 4.420 nan 0.000 0.225 163 P C -0.606 176.821 177.300 0.211 0.000 1.156 163 P CA 1.293 64.493 63.100 0.168 0.000 0.787 163 P CB 0.349 32.141 31.700 0.153 0.000 0.802 164 D N -1.867 118.737 120.400 0.339 0.000 10.326 164 D HA -0.109 4.531 4.640 -0.000 0.000 0.284 164 D C 0.643 177.079 176.300 0.227 0.000 2.932 164 D CA -0.192 53.986 54.000 0.296 0.000 2.784 164 D CB -0.523 40.440 40.800 0.271 0.000 1.095 164 D HN -0.113 nan 8.370 nan 0.000 0.831 165 L N 3.268 124.595 121.223 0.174 0.000 2.017 165 L HA -0.293 4.047 4.340 -0.000 0.000 0.234 165 L C 2.571 179.572 176.870 0.218 0.000 1.097 165 L CA 2.879 57.808 54.840 0.148 0.000 0.816 165 L CB -1.001 41.098 42.059 0.067 0.000 0.914 165 L HN 0.749 nan 8.230 nan 0.000 0.444 166 G N -0.945 108.040 108.800 0.308 0.000 2.719 166 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.219 166 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.219 166 G C 1.461 176.455 174.900 0.156 0.000 1.234 166 G CA 1.620 46.923 45.100 0.339 0.000 0.788 166 G HN 0.337 nan 8.290 nan 0.000 0.619 167 V N 0.765 120.753 119.914 0.125 0.000 2.252 167 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 167 V C 2.897 179.063 176.094 0.120 0.000 1.056 167 V CA 2.383 64.739 62.300 0.093 0.000 1.022 167 V CB -0.633 31.240 31.823 0.083 0.000 0.641 167 V HN 0.347 nan 8.190 nan 0.000 0.445 168 R N -0.463 120.122 120.500 0.140 0.000 2.133 168 R HA -0.179 4.161 4.340 -0.000 0.000 0.247 168 R C 2.139 178.504 176.300 0.107 0.000 1.151 168 R CA 1.730 57.910 56.100 0.134 0.000 0.971 168 R CB -0.516 29.861 30.300 0.128 0.000 0.866 168 R HN 0.465 nan 8.270 nan 0.000 0.447 169 V N -0.488 119.484 119.914 0.097 0.000 2.591 169 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 169 V C 2.338 178.459 176.094 0.045 0.000 1.053 169 V CA 1.294 63.624 62.300 0.049 0.000 1.068 169 V CB -0.259 31.584 31.823 0.033 0.000 0.689 169 V HN 0.462 nan 8.190 nan 0.000 0.462 170 C N 0.151 119.513 119.300 0.103 0.000 2.425 170 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 170 C C 2.642 177.773 174.990 0.235 0.000 1.280 170 C CA 0.835 59.981 59.018 0.214 0.000 1.744 170 C CB -0.961 26.959 27.740 0.299 0.000 1.989 170 C HN 0.623 nan 8.230 nan 0.000 0.491 171 E N 0.781 121.085 120.200 0.175 0.000 2.058 171 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 171 E C 1.069 177.761 176.600 0.154 0.000 0.997 171 E CA 0.841 57.352 56.400 0.184 0.000 0.801 171 E CB -0.074 29.743 29.700 0.195 0.000 0.746 171 E HN 0.653 nan 8.360 nan 0.000 0.450 175 L N -1.212 120.050 121.223 0.064 0.000 2.920 175 L HA 0.271 4.611 4.340 -0.000 0.000 0.257 175 L C 1.739 178.573 176.870 -0.059 0.000 1.150 175 L CA 0.314 55.123 54.840 -0.052 0.000 0.959 175 L CB 0.043 42.034 42.059 -0.115 0.000 1.321 175 L HN 0.466 nan 8.230 nan 0.000 0.555 176 Y N 1.793 122.051 120.300 -0.069 0.000 2.081 176 Y HA -0.376 4.174 4.550 -0.000 0.000 0.280 176 Y C 2.221 178.071 175.900 -0.083 0.000 1.163 176 Y CA 2.398 60.453 58.100 -0.075 0.000 1.135 176 Y CB 0.011 38.431 38.460 -0.066 0.000 0.970 176 Y HN 0.226 nan 8.280 nan 0.000 0.498 177 D N -0.977 119.418 120.400 -0.009 0.000 2.264 177 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 177 D C 1.985 178.193 176.300 -0.154 0.000 0.966 177 D CA 1.075 55.030 54.000 -0.074 0.000 0.864 177 D CB -0.031 40.781 40.800 0.019 0.000 0.933 177 D HN 0.290 nan 8.370 nan 0.000 0.499 178 V N -0.684 119.127 119.914 -0.172 0.000 2.300 178 V HA -0.117 4.003 4.120 -0.000 0.000 0.241 178 V C 2.534 178.480 176.094 -0.247 0.000 1.034 178 V CA 0.755 62.939 62.300 -0.194 0.000 1.021 178 V CB -0.301 31.378 31.823 -0.240 0.000 0.662 178 V HN 0.051 nan 8.190 nan 0.000 0.458 179 V N 0.623 120.355 119.914 -0.304 0.000 2.527 179 V HA -0.276 3.844 4.120 -0.000 0.000 0.255 179 V C 2.380 178.305 176.094 -0.281 0.000 1.081 179 V CA 2.295 64.422 62.300 -0.287 0.000 1.092 179 V CB -0.688 30.965 31.823 -0.282 0.000 0.673 179 V HN 0.559 nan 8.190 nan 0.000 0.470 180 S N -0.511 114.986 115.700 -0.338 0.000 2.310 180 S HA -0.128 4.342 4.470 -0.000 0.000 0.201 180 S C 2.041 176.513 174.600 -0.213 0.000 1.032 180 S CA 1.540 59.565 58.200 -0.293 0.000 0.993 180 S CB -0.637 62.347 63.200 -0.360 0.000 0.970 180 S HN 0.612 nan 8.310 nan 0.000 0.446 181 T N 4.214 118.655 114.554 -0.188 0.000 2.580 181 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 181 T C 1.828 176.408 174.700 -0.200 0.000 1.063 181 T CA 1.237 63.242 62.100 -0.160 0.000 1.170 181 T CB -0.808 67.989 68.868 -0.118 0.000 0.863 181 T HN 0.129 nan 8.240 nan 0.000 0.418 182 L N 2.020 123.134 121.223 -0.182 0.000 2.030 182 L HA -0.159 4.181 4.340 -0.000 0.000 0.222 182 L C -0.738 175.969 176.870 -0.272 0.000 1.082 182 L CA 2.552 57.290 54.840 -0.171 0.000 0.785 182 L CB -1.909 40.094 42.059 -0.093 0.000 0.895 182 L HN 0.209 nan 8.230 nan 0.000 0.439 183 P HA -0.230 nan 4.420 nan 0.000 0.214 183 P C 1.595 178.408 177.300 -0.811 0.000 1.163 183 P CA 1.590 64.274 63.100 -0.693 0.000 0.889 183 P CB -0.130 30.911 31.700 -1.098 0.000 0.790 184 Q N -0.496 118.808 119.800 -0.826 0.000 2.226 184 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 184 Q C 1.857 177.705 176.000 -0.253 0.000 0.975 184 Q CA 1.058 56.607 55.803 -0.423 0.000 0.866 184 Q CB -0.338 28.296 28.738 -0.173 0.000 0.915 184 Q HN 0.029 nan 8.270 nan 0.000 0.440 185 V N -0.204 119.571 119.914 -0.233 0.000 2.453 185 V HA -0.111 4.009 4.120 -0.000 0.000 0.247 185 V C 1.355 177.355 176.094 -0.156 0.000 1.048 185 V CA 0.665 62.872 62.300 -0.156 0.000 1.049 185 V CB 0.129 31.878 31.823 -0.123 0.000 0.672 185 V HN 0.110 nan 8.190 nan 0.000 0.457 189 S N 0.426 116.076 115.700 -0.084 0.000 2.500 189 S HA 0.015 4.485 4.470 -0.000 0.000 0.239 189 S C 2.026 176.484 174.600 -0.236 0.000 0.989 189 S CA 2.112 60.183 58.200 -0.216 0.000 0.951 189 S CB -0.133 62.917 63.200 -0.250 0.000 0.759 189 S HN 0.428 nan 8.310 nan 0.000 0.523 190 S N 0.297 115.986 115.700 -0.019 0.000 2.453 190 S HA 0.076 4.546 4.470 -0.000 0.000 0.231 190 S C 0.312 174.956 174.600 0.074 0.000 1.005 190 S CA 0.072 58.341 58.200 0.115 0.000 0.949 190 S CB -0.453 62.909 63.200 0.271 0.000 0.774 190 S HN 0.718 nan 8.310 nan 0.000 0.510 191 Y N 3.239 123.429 120.300 -0.184 0.000 2.674 191 Y HA 0.415 4.965 4.550 -0.000 0.000 0.354 191 Y C 1.290 177.019 175.900 -0.286 0.000 1.089 191 Y CA -1.432 56.547 58.100 -0.201 0.000 1.444 191 Y CB -0.222 38.112 38.460 -0.210 0.000 1.187 191 Y HN 0.063 nan 8.280 nan 0.000 0.523 192 G N 4.613 113.116 108.800 -0.495 0.000 2.432 192 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 192 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 192 G C 1.247 175.713 174.900 -0.723 0.000 1.135 192 G CA 0.437 45.222 45.100 -0.526 0.000 0.767 192 G HN 0.703 nan 8.290 nan 0.000 0.550 193 F N 1.407 120.883 119.950 -0.789 0.000 2.546 193 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 193 F C 2.923 178.419 175.800 -0.506 0.000 1.120 193 F CA 1.207 58.860 58.000 -0.577 0.000 1.456 193 F CB -0.014 38.644 39.000 -0.570 0.000 1.088 193 F HN 0.331 nan 8.300 nan 0.000 0.572 194 Q N 0.096 119.551 119.800 -0.576 0.000 2.311 194 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 194 Q C -0.289 175.471 176.000 -0.400 0.000 0.954 194 Q CA 0.744 56.280 55.803 -0.445 0.000 0.885 194 Q CB -0.405 28.014 28.738 -0.531 0.000 0.963 194 Q HN 0.417 nan 8.270 nan 0.000 0.471 195 Y N 1.903 122.103 120.300 -0.167 0.000 2.334 195 Y HA 0.294 4.844 4.550 -0.000 0.000 0.328 195 Y C 0.661 176.477 175.900 -0.140 0.000 1.130 195 Y CA -0.945 57.072 58.100 -0.139 0.000 1.163 195 Y CB 1.343 39.731 38.460 -0.121 0.000 1.207 195 Y HN 0.072 nan 8.280 nan 0.000 0.471 196 S N 1.582 117.294 115.700 0.021 0.000 2.652 196 S HA 0.303 4.773 4.470 -0.000 0.000 0.270 196 S C -2.113 172.467 174.600 -0.034 0.000 1.243 196 S CA -1.338 56.789 58.200 -0.121 0.000 0.999 196 S CB 1.600 64.680 63.200 -0.199 0.000 0.973 196 S HN 0.413 nan 8.310 nan 0.000 0.544 197 P HA -0.122 nan 4.420 nan 0.000 0.217 197 P C 1.621 178.937 177.300 0.026 0.000 1.158 197 P CA 2.112 65.226 63.100 0.024 0.000 0.887 197 P CB -0.453 31.279 31.700 0.052 0.000 0.792 198 G N -0.930 107.872 108.800 0.002 0.000 2.421 198 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 198 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 198 G C 1.436 176.330 174.900 -0.011 0.000 1.143 198 G CA 0.422 45.534 45.100 0.020 0.000 0.784 198 G HN 0.336 nan 8.290 nan 0.000 0.541 199 Q N -0.465 119.323 119.800 -0.019 0.000 2.230 199 Q HA 0.074 4.414 4.340 -0.000 0.000 0.202 199 Q C 2.532 178.426 176.000 -0.178 0.000 0.963 199 Q CA 0.489 56.273 55.803 -0.033 0.000 0.866 199 Q CB -0.058 28.735 28.738 0.090 0.000 0.931 199 Q HN 0.405 nan 8.270 nan 0.000 0.452 200 R N 0.554 120.990 120.500 -0.108 0.000 2.066 200 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 200 R C 2.128 178.348 176.300 -0.134 0.000 1.131 200 R CA 1.180 57.184 56.100 -0.159 0.000 0.955 200 R CB -0.146 30.147 30.300 -0.012 0.000 0.851 200 R HN 0.096 nan 8.270 nan 0.000 0.432 201 V N 1.492 121.359 119.914 -0.080 0.000 2.287 201 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 201 V C 2.392 178.407 176.094 -0.131 0.000 1.053 201 V CA 2.300 64.548 62.300 -0.087 0.000 1.027 201 V CB -0.625 31.189 31.823 -0.016 0.000 0.646 201 V HN 0.503 nan 8.190 nan 0.000 0.447 202 E N -0.574 119.566 120.200 -0.099 0.000 2.085 202 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 202 E C 2.111 178.639 176.600 -0.120 0.000 0.994 202 E CA 1.758 58.099 56.400 -0.099 0.000 0.801 202 E CB -0.188 29.482 29.700 -0.049 0.000 0.743 202 E HN 0.570 nan 8.360 nan 0.000 0.453 203 F N 1.007 120.761 119.950 -0.327 0.000 2.163 203 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 203 F C 1.858 177.519 175.800 -0.230 0.000 1.094 203 F CA 1.045 58.834 58.000 -0.353 0.000 1.290 203 F CB -0.256 38.307 39.000 -0.728 0.000 1.017 203 F HN -0.012 nan 8.300 nan 0.000 0.483 204 L N -0.690 120.301 121.223 -0.387 0.000 1.994 204 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 204 L C 2.428 179.115 176.870 -0.305 0.000 1.071 204 L CA 1.241 55.847 54.840 -0.389 0.000 0.745 204 L CB -0.891 41.027 42.059 -0.235 0.000 0.892 204 L HN -0.046 nan 8.230 nan 0.000 0.431 205 V N 0.105 119.845 119.914 -0.291 0.000 2.332 205 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 205 V C 2.029 178.001 176.094 -0.204 0.000 1.055 205 V CA 2.320 64.435 62.300 -0.308 0.000 1.038 205 V CB -0.852 30.652 31.823 -0.533 0.000 0.651 205 V HN 0.506 nan 8.190 nan 0.000 0.450 206 N N -0.506 118.066 118.700 -0.213 0.000 2.120 206 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 206 N C 1.859 177.272 175.510 -0.162 0.000 1.024 206 N CA 1.711 54.669 53.050 -0.153 0.000 0.852 206 N CB -0.201 38.218 38.487 -0.112 0.000 1.003 206 N HN 0.442 nan 8.380 nan 0.000 0.424 207 T N 0.416 114.799 114.554 -0.285 0.000 2.708 207 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 207 T C 1.337 175.954 174.700 -0.137 0.000 1.037 207 T CA 0.847 62.781 62.100 -0.277 0.000 1.146 207 T CB -0.338 68.227 68.868 -0.505 0.000 0.865 207 T HN 0.435 nan 8.240 nan 0.000 0.435 208 W N 2.281 123.421 121.300 -0.267 0.000 2.333 208 W HA -0.129 4.531 4.660 -0.000 0.000 0.316 208 W C 1.873 178.308 176.519 -0.142 0.000 1.215 208 W CA 1.325 58.556 57.345 -0.191 0.000 1.278 208 W CB -0.265 29.076 29.460 -0.198 0.000 1.154 208 W HN 0.242 nan 8.180 nan 0.000 0.486 209 K N 0.352 120.767 120.400 0.025 0.000 2.360 209 K HA -0.140 4.180 4.320 -0.000 0.000 0.201 209 K C 1.994 178.531 176.600 -0.106 0.000 1.046 209 K CA 1.525 57.788 56.287 -0.040 0.000 0.945 209 K CB -0.333 32.161 32.500 -0.010 0.000 0.750 209 K HN 0.084 nan 8.250 nan 0.000 0.464 210 S N 0.476 116.102 115.700 -0.123 0.000 2.607 210 S HA 0.014 4.484 4.470 -0.000 0.000 0.224 210 S C 0.361 174.879 174.600 -0.136 0.000 0.969 210 S CA 0.146 58.280 58.200 -0.110 0.000 0.927 210 S CB 0.072 63.216 63.200 -0.093 0.000 0.772 210 S HN -0.025 nan 8.310 nan 0.000 0.533 211 K N 1.275 121.549 120.400 -0.209 0.000 2.156 211 K HA 0.366 4.686 4.320 -0.000 0.000 0.254 211 K C 0.479 176.962 176.600 -0.194 0.000 0.950 211 K CA -0.644 55.514 56.287 -0.216 0.000 0.849 211 K CB 1.626 33.934 32.500 -0.319 0.000 1.100 211 K HN 0.047 nan 8.250 nan 0.000 0.434 212 K N 1.047 121.364 120.400 -0.138 0.000 2.057 212 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 212 K C -0.140 176.388 176.600 -0.119 0.000 1.050 212 K CA 1.197 57.422 56.287 -0.104 0.000 0.935 212 K CB 0.294 32.752 32.500 -0.070 0.000 0.715 212 K HN 0.410 nan 8.250 nan 0.000 0.439 213 N N 1.351 119.965 118.700 -0.143 0.000 2.707 213 N HA 0.203 4.943 4.740 -0.000 0.000 0.249 213 N C -2.785 172.603 175.510 -0.204 0.000 1.299 213 N CA -1.047 51.926 53.050 -0.130 0.000 0.769 213 N CB 1.813 40.263 38.487 -0.062 0.000 1.236 213 N HN 0.133 nan 8.380 nan 0.000 0.524 217 F N -0.253 119.660 119.950 -0.062 0.000 2.650 217 F HA 0.805 5.332 4.527 -0.000 0.000 0.310 217 F C -0.313 175.466 175.800 -0.035 0.000 1.112 217 F CA -1.110 56.848 58.000 -0.070 0.000 0.986 217 F CB 1.409 40.346 39.000 -0.105 0.000 1.285 217 F HN 0.774 nan 8.300 nan 0.000 0.440 218 S N 2.259 117.996 115.700 0.062 0.000 2.541 218 S HA 0.635 5.105 4.470 -0.000 0.000 0.283 218 S C -1.471 173.290 174.600 0.267 0.000 1.196 218 S CA -0.553 57.665 58.200 0.031 0.000 1.062 218 S CB 1.523 64.736 63.200 0.022 0.000 1.009 218 S HN 0.884 nan 8.310 nan 0.000 0.502 219 Y N 1.744 122.128 120.300 0.139 0.000 2.328 219 Y HA 0.498 5.048 4.550 -0.000 0.000 0.336 219 Y C -0.911 175.108 175.900 0.199 0.000 0.960 219 Y CA -0.873 57.391 58.100 0.273 0.000 1.134 219 Y CB 1.407 40.137 38.460 0.451 0.000 1.166 219 Y HN 0.883 nan 8.280 nan 0.000 0.464 220 D N 4.035 124.219 120.400 -0.361 0.000 2.256 220 D HA 0.331 4.971 4.640 -0.000 0.000 0.240 220 D C -1.016 175.034 176.300 -0.416 0.000 1.062 220 D CA -0.196 53.659 54.000 -0.242 0.000 0.832 220 D CB 1.313 42.037 40.800 -0.126 0.000 1.135 220 D HN 0.510 nan 8.370 nan 0.000 0.484 221 T N 3.121 117.635 114.554 -0.067 0.000 2.875 221 T HA 0.288 4.638 4.350 -0.000 0.000 0.284 221 T C 0.368 175.134 174.700 0.110 0.000 0.995 221 T CA -0.749 61.410 62.100 0.098 0.000 1.060 221 T CB 1.048 70.200 68.868 0.474 0.000 0.967 221 T HN 0.320 nan 8.240 nan 0.000 0.476 222 R N 1.469 122.010 120.500 0.068 0.000 2.351 222 R HA 0.191 4.531 4.340 -0.000 0.000 0.318 222 R C -0.192 176.197 176.300 0.148 0.000 1.055 222 R CA -0.261 55.872 56.100 0.055 0.000 0.968 222 R CB -0.539 29.741 30.300 -0.033 0.000 0.974 222 R HN 0.947 nan 8.270 nan 0.000 0.439 223 C N 5.713 125.120 119.300 0.178 0.000 3.744 223 C HA -0.182 4.278 4.460 -0.000 0.000 0.290 223 C C 1.479 176.664 174.990 0.324 0.000 1.385 223 C CA 0.345 59.514 59.018 0.252 0.000 2.099 223 C CB -3.029 24.883 27.740 0.286 0.000 1.359 223 C HN 1.062 nan 8.230 nan 0.000 0.629 224 F N 1.852 121.907 119.950 0.175 0.000 2.063 224 F HA -0.299 4.228 4.527 -0.000 0.000 0.297 224 F C 1.942 177.855 175.800 0.187 0.000 1.099 224 F CA 2.548 60.659 58.000 0.185 0.000 1.220 224 F CB -0.053 39.045 39.000 0.164 0.000 0.972 224 F HN 0.454 nan 8.300 nan 0.000 0.487 225 D N -0.300 120.372 120.400 0.453 0.000 2.149 225 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 225 D C 2.502 178.903 176.300 0.168 0.000 1.001 225 D CA 1.873 56.062 54.000 0.317 0.000 0.849 225 D CB -0.611 40.366 40.800 0.296 0.000 0.939 225 D HN 0.445 nan 8.370 nan 0.000 0.449 226 S N -0.799 115.030 115.700 0.214 0.000 2.522 226 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 226 S C 1.865 176.470 174.600 0.009 0.000 0.986 226 S CA 1.365 59.648 58.200 0.138 0.000 0.929 226 S CB -0.490 62.873 63.200 0.273 0.000 0.769 226 S HN 0.348 nan 8.310 nan 0.000 0.529 227 T N -0.406 114.193 114.554 0.076 0.000 3.088 227 T HA 0.224 4.574 4.350 -0.000 0.000 0.259 227 T C 0.501 175.132 174.700 -0.115 0.000 1.122 227 T CA -0.050 62.079 62.100 0.048 0.000 1.095 227 T CB -0.564 68.306 68.868 0.004 0.000 0.930 227 T HN 0.161 nan 8.240 nan 0.000 0.508 228 V N 4.148 123.959 119.914 -0.171 0.000 2.446 228 V HA 0.307 4.427 4.120 -0.000 0.000 0.276 228 V C 1.131 177.171 176.094 -0.091 0.000 1.030 228 V CA -0.308 61.907 62.300 -0.141 0.000 1.033 228 V CB 0.047 31.820 31.823 -0.084 0.000 0.993 228 V HN 0.705 nan 8.190 nan 0.000 0.477 229 T N 1.004 115.519 114.554 -0.065 0.000 2.899 229 T HA 0.300 4.650 4.350 -0.000 0.000 0.284 229 T C 0.963 175.642 174.700 -0.035 0.000 1.004 229 T CA -0.590 61.478 62.100 -0.054 0.000 1.043 229 T CB 1.291 70.136 68.868 -0.038 0.000 1.013 229 T HN 0.671 nan 8.240 nan 0.000 0.518 230 E N 0.719 120.898 120.200 -0.035 0.000 2.160 230 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 230 E C 1.979 178.577 176.600 -0.003 0.000 0.991 230 E CA 1.371 57.762 56.400 -0.015 0.000 0.810 230 E CB -0.186 29.505 29.700 -0.014 0.000 0.742 230 E HN 0.814 nan 8.360 nan 0.000 0.466 231 N N 1.243 119.939 118.700 -0.006 0.000 2.043 231 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 231 N C 1.401 176.924 175.510 0.020 0.000 1.037 231 N CA 1.975 55.028 53.050 0.006 0.000 0.851 231 N CB -0.050 38.434 38.487 -0.004 0.000 1.027 231 N HN 0.021 nan 8.380 nan 0.000 0.422 232 D N 0.250 120.662 120.400 0.020 0.000 2.106 232 D HA -0.180 4.460 4.640 -0.000 0.000 0.191 232 D C 2.060 178.368 176.300 0.013 0.000 0.997 232 D CA 1.365 55.386 54.000 0.036 0.000 0.834 232 D CB -0.413 40.401 40.800 0.023 0.000 0.956 232 D HN 0.460 nan 8.370 nan 0.000 0.448 233 I N 0.744 121.320 120.570 0.010 0.000 2.226 233 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 233 I C 2.597 178.716 176.117 0.003 0.000 1.100 233 I CA 1.036 62.345 61.300 0.015 0.000 1.374 233 I CB -0.140 37.890 38.000 0.050 0.000 1.057 233 I HN -0.073 nan 8.210 nan 0.000 0.413 234 R N 0.096 120.600 120.500 0.007 0.000 2.092 234 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 234 R C 2.309 178.588 176.300 -0.036 0.000 1.119 234 R CA 1.074 57.174 56.100 0.000 0.000 0.970 234 R CB -0.387 29.918 30.300 0.008 0.000 0.864 234 R HN 0.247 nan 8.270 nan 0.000 0.440 235 V N 1.384 121.279 119.914 -0.033 0.000 2.407 235 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 235 V C 1.988 177.991 176.094 -0.152 0.000 1.055 235 V CA 1.724 63.992 62.300 -0.053 0.000 1.049 235 V CB -0.418 31.409 31.823 0.006 0.000 0.662 235 V HN 0.336 nan 8.190 nan 0.000 0.455 236 E N -0.269 119.806 120.200 -0.209 0.000 2.038 236 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 236 E C 2.396 178.547 176.600 -0.749 0.000 1.000 236 E CA 1.352 57.461 56.400 -0.484 0.000 0.803 236 E CB -0.202 29.238 29.700 -0.434 0.000 0.750 236 E HN 0.528 nan 8.360 nan 0.000 0.448 237 E N 0.638 120.605 120.200 -0.388 0.000 2.070 237 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 237 E C 2.231 178.772 176.600 -0.098 0.000 1.004 237 E CA 1.754 58.067 56.400 -0.145 0.000 0.805 237 E CB -0.110 29.608 29.700 0.030 0.000 0.744 237 E HN 0.241 nan 8.360 nan 0.000 0.451 238 S N 0.400 116.041 115.700 -0.097 0.000 2.383 238 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 238 S C 2.225 176.788 174.600 -0.062 0.000 1.030 238 S CA 1.427 59.595 58.200 -0.054 0.000 1.002 238 S CB -0.700 62.471 63.200 -0.048 0.000 0.829 238 S HN 0.308 nan 8.310 nan 0.000 0.467 239 I N 0.303 120.791 120.570 -0.138 0.000 2.202 239 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 239 I C 2.475 178.599 176.117 0.012 0.000 1.091 239 I CA 1.583 62.824 61.300 -0.098 0.000 1.368 239 I CB -0.668 37.237 38.000 -0.158 0.000 1.058 239 I HN 0.291 nan 8.210 nan 0.000 0.410 240 Y N 0.729 121.022 120.300 -0.011 0.000 2.207 240 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 240 Y C 2.804 178.703 175.900 -0.001 0.000 1.156 240 Y CA 0.251 58.347 58.100 -0.007 0.000 1.182 240 Y CB -0.264 38.205 38.460 0.014 0.000 0.979 240 Y HN 0.234 nan 8.280 nan 0.000 0.521 241 Q N -0.589 119.303 119.800 0.153 0.000 2.291 241 Q HA -0.153 4.186 4.340 -0.000 0.000 0.205 241 Q C 2.290 178.321 176.000 0.053 0.000 0.970 241 Q CA 0.919 56.775 55.803 0.088 0.000 0.876 241 Q CB -0.694 28.079 28.738 0.058 0.000 0.935 241 Q HN 0.545 nan 8.270 nan 0.000 0.455 242 C N 0.204 119.528 119.300 0.039 0.000 2.437 242 C HA -0.043 4.417 4.460 -0.000 0.000 0.283 242 C C 1.601 176.604 174.990 0.020 0.000 1.424 242 C CA -0.744 58.286 59.018 0.019 0.000 1.782 242 C CB -0.963 26.779 27.740 0.004 0.000 1.833 242 C HN 0.385 nan 8.230 nan 0.000 0.532 243 C N 1.408 120.729 119.300 0.034 0.000 2.649 243 C HA 0.151 4.611 4.460 -0.000 0.000 0.377 243 C C 0.652 175.653 174.990 0.018 0.000 1.321 243 C CA -0.187 58.844 59.018 0.022 0.000 2.368 243 C CB -0.035 27.721 27.740 0.026 0.000 2.597 243 C HN 0.477 nan 8.230 nan 0.000 0.678 244 D N 1.754 122.159 120.400 0.009 0.000 2.422 244 D HA 0.417 5.057 4.640 -0.000 0.000 0.227 244 D C -0.561 175.746 176.300 0.013 0.000 1.190 244 D CA 0.275 54.280 54.000 0.009 0.000 0.905 244 D CB -0.083 40.719 40.800 0.002 0.000 1.034 244 D HN 0.370 nan 8.370 nan 0.000 0.507 245 L N 1.595 122.831 121.223 0.021 0.000 2.303 245 L HA 0.706 5.046 4.340 -0.000 0.000 0.266 245 L C 0.648 177.538 176.870 0.032 0.000 1.011 245 L CA -1.462 53.395 54.840 0.028 0.000 0.818 245 L CB 1.530 43.612 42.059 0.039 0.000 1.326 245 L HN 0.225 nan 8.230 nan 0.000 0.435 246 A N 0.996 123.840 122.820 0.041 0.000 2.386 246 A HA 0.416 4.736 4.320 -0.000 0.000 0.248 246 A C -1.843 175.774 177.584 0.054 0.000 1.082 246 A CA -1.050 51.015 52.037 0.046 0.000 0.789 246 A CB 0.005 19.040 19.000 0.058 0.000 1.025 246 A HN 0.622 nan 8.150 nan 0.000 0.490 247 P HA -0.184 nan 4.420 nan 0.000 0.216 247 P C 1.241 178.569 177.300 0.048 0.000 1.153 247 P CA 1.709 64.833 63.100 0.039 0.000 0.858 247 P CB 0.230 31.949 31.700 0.031 0.000 0.789 248 E N -0.593 119.657 120.200 0.083 0.000 2.150 248 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 248 E C 1.921 178.599 176.600 0.130 0.000 0.985 248 E CA 1.003 57.473 56.400 0.117 0.000 0.814 248 E CB -0.499 29.346 29.700 0.242 0.000 0.752 248 E HN 0.079 nan 8.360 nan 0.000 0.466 249 A N 1.079 123.990 122.820 0.151 0.000 1.898 249 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 249 A C 2.108 179.738 177.584 0.077 0.000 1.181 249 A CA 1.284 53.412 52.037 0.153 0.000 0.620 249 A CB -0.363 18.709 19.000 0.119 0.000 0.819 249 A HN 0.153 nan 8.150 nan 0.000 0.442 250 R N -1.034 119.497 120.500 0.053 0.000 2.083 250 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 250 R C 2.492 178.794 176.300 0.004 0.000 1.137 250 R CA 1.700 57.822 56.100 0.036 0.000 0.951 250 R CB -0.342 29.976 30.300 0.030 0.000 0.851 250 R HN 0.618 nan 8.270 nan 0.000 0.434 251 Q N 0.793 120.576 119.800 -0.028 0.000 2.061 251 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 251 Q C 1.951 177.870 176.000 -0.134 0.000 0.984 251 Q CA 2.216 57.970 55.803 -0.082 0.000 0.846 251 Q CB -0.291 28.379 28.738 -0.112 0.000 0.902 251 Q HN 0.357 nan 8.270 nan 0.000 0.421 252 A N -0.026 122.687 122.820 -0.178 0.000 1.873 252 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 252 A C 2.162 179.686 177.584 -0.099 0.000 1.186 252 A CA 1.433 53.325 52.037 -0.241 0.000 0.616 252 A CB -0.736 18.065 19.000 -0.332 0.000 0.823 252 A HN 0.471 nan 8.150 nan 0.000 0.442 253 I N -0.221 120.348 120.570 -0.001 0.000 2.163 253 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 253 I C 2.584 178.740 176.117 0.064 0.000 1.085 253 I CA 2.017 63.366 61.300 0.082 0.000 1.347 253 I CB -0.288 37.792 38.000 0.134 0.000 1.044 253 I HN 0.435 nan 8.210 nan 0.000 0.408 254 K N 0.654 121.071 120.400 0.028 0.000 2.009 254 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 254 K C 2.361 178.937 176.600 -0.040 0.000 1.049 254 K CA 2.118 58.411 56.287 0.011 0.000 0.929 254 K CB -0.217 32.281 32.500 -0.005 0.000 0.714 254 K HN 0.130 nan 8.250 nan 0.000 0.440 255 S N 0.692 116.340 115.700 -0.087 0.000 2.359 255 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 255 S C 2.017 176.513 174.600 -0.173 0.000 1.035 255 S CA 1.297 59.421 58.200 -0.127 0.000 1.018 255 S CB -0.307 62.792 63.200 -0.167 0.000 0.876 255 S HN 0.379 nan 8.310 nan 0.000 0.448 256 L N 1.019 122.107 121.223 -0.226 0.000 2.042 256 L HA -0.118 4.221 4.340 -0.000 0.000 0.210 256 L C 3.001 179.509 176.870 -0.604 0.000 1.076 256 L CA 1.820 56.391 54.840 -0.449 0.000 0.749 256 L CB -1.134 40.622 42.059 -0.505 0.000 0.893 256 L HN 0.559 nan 8.230 nan 0.000 0.432 257 T N -3.581 110.818 114.554 -0.257 0.000 2.821 257 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 257 T C 1.710 176.393 174.700 -0.028 0.000 1.046 257 T CA 0.907 63.007 62.100 -0.001 0.000 1.139 257 T CB -0.131 68.862 68.868 0.209 0.000 0.871 257 T HN 0.239 nan 8.240 nan 0.000 0.454 258 E N 1.286 121.451 120.200 -0.058 0.000 2.112 258 E HA 0.057 4.407 4.350 -0.000 0.000 0.190 258 E C 2.414 178.979 176.600 -0.059 0.000 0.979 258 E CA 0.663 57.039 56.400 -0.040 0.000 0.814 258 E CB -0.083 29.595 29.700 -0.037 0.000 0.762 258 E HN 0.612 nan 8.360 nan 0.000 0.460 259 R N -0.330 120.105 120.500 -0.108 0.000 2.280 259 R HA 0.241 4.581 4.340 -0.000 0.000 0.195 259 R C 1.948 178.177 176.300 -0.119 0.000 0.935 259 R CA 0.207 56.247 56.100 -0.101 0.000 1.033 259 R CB 0.699 30.932 30.300 -0.111 0.000 0.964 259 R HN 0.088 nan 8.270 nan 0.000 0.489 260 L N -2.112 119.003 121.223 -0.179 0.000 2.692 260 L HA 0.132 4.472 4.340 -0.000 0.000 0.175 260 L C 1.180 178.048 176.870 -0.003 0.000 1.112 260 L CA 0.094 54.845 54.840 -0.147 0.000 0.908 260 L CB -0.093 41.814 42.059 -0.253 0.000 1.672 260 L HN -0.040 nan 8.230 nan 0.000 0.500 261 Y N 0.582 120.885 120.300 0.005 0.000 2.114 261 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 261 Y C 2.443 178.332 175.900 -0.018 0.000 1.165 261 Y CA 1.420 59.528 58.100 0.013 0.000 1.148 261 Y CB -0.948 37.544 38.460 0.053 0.000 0.972 261 Y HN 0.168 nan 8.280 nan 0.000 0.504 262 I N -0.918 119.731 120.570 0.132 0.000 2.248 262 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 262 I C 1.301 177.408 176.117 -0.017 0.000 1.107 262 I CA 1.939 63.268 61.300 0.049 0.000 1.373 262 I CB -0.667 37.351 38.000 0.030 0.000 1.055 262 I HN 0.332 nan 8.210 nan 0.000 0.418 263 G N -2.328 106.438 108.800 -0.056 0.000 2.359 263 G HA2 0.491 4.451 3.960 -0.000 0.000 0.293 263 G HA3 0.491 4.451 3.960 -0.000 0.000 0.293 263 G C -0.590 174.132 174.900 -0.297 0.000 1.300 263 G CA -0.323 44.660 45.100 -0.194 0.000 0.888 263 G HN 0.722 nan 8.290 nan 0.000 0.541 264 G N -1.130 107.251 108.800 -0.699 0.000 2.327 264 G HA2 0.723 4.683 3.960 -0.000 0.000 0.291 264 G HA3 0.723 4.683 3.960 -0.000 0.000 0.291 264 G C -3.470 170.803 174.900 -1.046 0.000 1.290 264 G CA 0.237 44.876 45.100 -0.767 0.000 0.857 264 G HN 0.897 nan 8.290 nan 0.000 0.520 265 P HA 0.477 nan 4.420 nan 0.000 0.281 265 P C -0.581 176.638 177.300 -0.136 0.000 1.252 265 P CA -0.153 62.856 63.100 -0.152 0.000 0.778 265 P CB 1.361 33.103 31.700 0.069 0.000 0.895 266 L N 2.980 124.145 121.223 -0.095 0.000 2.295 266 L HA 0.588 4.928 4.340 -0.000 0.000 0.285 266 L C 1.064 177.935 176.870 0.002 0.000 1.035 266 L CA -0.252 54.559 54.840 -0.048 0.000 0.806 266 L CB 1.703 43.754 42.059 -0.012 0.000 1.214 266 L HN 0.412 nan 8.230 nan 0.000 0.426 267 T N -0.028 114.515 114.554 -0.017 0.000 2.912 267 T HA 0.399 4.749 4.350 -0.000 0.000 0.299 267 T C -0.064 174.631 174.700 -0.008 0.000 1.052 267 T CA -0.833 61.267 62.100 -0.000 0.000 0.996 267 T CB 1.355 70.218 68.868 -0.009 0.000 1.070 267 T HN 0.483 nan 8.240 nan 0.000 0.465 268 N N 1.338 120.050 118.700 0.020 0.000 2.178 268 N HA 0.012 4.752 4.740 -0.000 0.000 0.220 268 N C 1.464 176.977 175.510 0.006 0.000 1.292 268 N CA 0.964 54.027 53.050 0.022 0.000 0.871 268 N CB 0.400 38.904 38.487 0.028 0.000 1.085 268 N HN 0.815 nan 8.380 nan 0.000 0.438 269 S N -0.869 114.843 115.700 0.020 0.000 2.558 269 S HA 0.143 4.613 4.470 -0.000 0.000 0.217 269 S C 0.945 175.556 174.600 0.018 0.000 0.975 269 S CA 0.278 58.493 58.200 0.026 0.000 0.912 269 S CB 0.193 63.421 63.200 0.047 0.000 0.776 269 S HN 0.353 nan 8.310 nan 0.000 0.526 270 K N 0.861 121.271 120.400 0.016 0.000 2.308 270 K HA 0.313 4.633 4.320 -0.000 0.000 0.197 270 K C 1.486 178.089 176.600 0.005 0.000 1.049 270 K CA 0.865 57.159 56.287 0.012 0.000 0.991 270 K CB -0.023 32.486 32.500 0.016 0.000 0.836 270 K HN 0.550 nan 8.250 nan 0.000 0.500 271 G N 1.815 110.617 108.800 0.004 0.000 2.192 271 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.193 271 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.193 271 G C -0.264 174.641 174.900 0.007 0.000 0.999 271 G CA -0.263 44.836 45.100 -0.002 0.000 0.659 271 G HN 0.363 nan 8.290 nan 0.000 0.503 272 Q N 0.633 120.444 119.800 0.018 0.000 2.259 272 Q HA 0.498 4.838 4.340 -0.000 0.000 0.246 272 Q C -0.003 176.020 176.000 0.038 0.000 0.920 272 Q CA -0.928 54.891 55.803 0.027 0.000 0.895 272 Q CB 1.104 29.861 28.738 0.031 0.000 1.220 272 Q HN 0.144 nan 8.270 nan 0.000 0.439 273 N N 1.120 119.846 118.700 0.043 0.000 2.411 273 N HA -0.068 4.672 4.740 -0.000 0.000 0.261 273 N C -0.433 175.126 175.510 0.082 0.000 1.248 273 N CA 0.187 53.271 53.050 0.056 0.000 0.885 273 N CB 0.842 39.362 38.487 0.055 0.000 1.062 273 N HN 0.704 nan 8.380 nan 0.000 0.471 274 C N 2.324 121.685 119.300 0.102 0.000 2.791 274 C HA 0.474 4.934 4.460 -0.000 0.000 0.288 274 C C 1.080 176.205 174.990 0.224 0.000 1.271 274 C CA 0.775 59.898 59.018 0.176 0.000 1.726 274 C CB -0.926 26.939 27.740 0.208 0.000 2.145 274 C HN 0.911 nan 8.230 nan 0.000 0.572 275 G N -1.219 107.649 108.800 0.112 0.000 2.350 275 G HA2 0.273 4.233 3.960 -0.000 0.000 0.276 275 G HA3 0.273 4.233 3.960 -0.000 0.000 0.276 275 G C -2.158 172.741 174.900 -0.002 0.000 1.313 275 G CA -0.407 44.713 45.100 0.034 0.000 0.903 275 G HN 0.031 nan 8.290 nan 0.000 0.490 276 Y N 0.716 120.860 120.300 -0.261 0.000 2.477 276 Y HA 0.777 5.327 4.550 -0.000 0.000 0.347 276 Y C 0.178 175.873 175.900 -0.341 0.000 0.981 276 Y CA -0.887 57.074 58.100 -0.232 0.000 1.033 276 Y CB 1.955 40.309 38.460 -0.177 0.000 1.245 276 Y HN 0.711 nan 8.280 nan 0.000 0.455 277 R N 4.788 124.859 120.500 -0.715 0.000 2.460 277 R HA 0.547 4.887 4.340 -0.000 0.000 0.303 277 R C -0.669 175.270 176.300 -0.601 0.000 0.968 277 R CA -0.555 55.112 56.100 -0.723 0.000 0.889 277 R CB 0.930 30.894 30.300 -0.561 0.000 1.123 277 R HN 0.926 nan 8.270 nan 0.000 0.455 278 R N 3.012 123.195 120.500 -0.528 0.000 2.629 278 R HA 0.210 4.550 4.340 -0.000 0.000 0.408 278 R C -0.520 175.608 176.300 -0.287 0.000 1.057 278 R CA -0.256 55.676 56.100 -0.280 0.000 1.119 278 R CB 0.536 30.748 30.300 -0.146 0.000 1.403 278 R HN 0.786 nan 8.270 nan 0.000 0.576 279 C N -1.774 117.300 119.300 -0.378 0.000 3.336 279 C HA 0.614 5.074 4.460 -0.000 0.000 0.352 279 C C -0.104 174.795 174.990 -0.151 0.000 1.567 279 C CA -1.559 57.309 59.018 -0.248 0.000 1.328 279 C CB 1.240 28.809 27.740 -0.285 0.000 1.922 279 C HN 0.332 nan 8.230 nan 0.000 0.439 280 R N 1.121 121.594 120.500 -0.044 0.000 2.583 280 R HA 0.433 4.773 4.340 -0.000 0.000 0.274 280 R C 0.049 176.391 176.300 0.070 0.000 0.998 280 R CA 1.162 57.285 56.100 0.040 0.000 1.081 280 R CB -0.157 30.208 30.300 0.108 0.000 0.940 280 R HN 1.204 nan 8.270 nan 0.000 0.413 281 A N 3.111 125.984 122.820 0.089 0.000 2.310 281 A HA 0.301 4.621 4.320 -0.000 0.000 0.299 281 A C 0.915 178.587 177.584 0.147 0.000 1.147 281 A CA -0.020 52.091 52.037 0.122 0.000 0.818 281 A CB 0.955 20.033 19.000 0.129 0.000 1.096 281 A HN 1.000 nan 8.150 nan 0.000 0.495 282 S N 1.624 117.429 115.700 0.174 0.000 2.470 282 S HA 0.068 4.538 4.470 -0.000 0.000 0.225 282 S C 1.195 175.889 174.600 0.156 0.000 1.006 282 S CA 0.857 59.157 58.200 0.166 0.000 0.934 282 S CB -0.087 63.220 63.200 0.178 0.000 0.778 282 S HN 1.250 nan 8.310 nan 0.000 0.517 283 G N 2.034 110.951 108.800 0.196 0.000 3.591 283 G HA2 0.490 4.450 3.960 -0.000 0.000 0.282 283 G HA3 0.490 4.450 3.960 -0.000 0.000 0.282 283 G C 0.022 175.035 174.900 0.188 0.000 1.238 283 G CA 0.048 45.271 45.100 0.205 0.000 0.993 283 G HN 0.636 nan 8.290 nan 0.000 0.542 284 V N -2.807 117.197 119.914 0.150 0.000 2.919 284 V HA 0.496 4.616 4.120 -0.000 0.000 0.316 284 V C 1.462 177.602 176.094 0.077 0.000 1.077 284 V CA -0.980 61.415 62.300 0.159 0.000 0.977 284 V CB 1.927 33.894 31.823 0.240 0.000 1.039 284 V HN 0.090 nan 8.190 nan 0.000 0.441 285 L N 1.134 122.411 121.223 0.090 0.000 2.081 285 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 285 L C 2.459 179.301 176.870 -0.046 0.000 1.080 285 L CA 2.541 57.402 54.840 0.035 0.000 0.754 285 L CB -0.101 42.002 42.059 0.074 0.000 0.893 285 L HN 1.082 nan 8.230 nan 0.000 0.433 286 T N -1.102 113.378 114.554 -0.123 0.000 3.035 286 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 286 T C 1.601 176.228 174.700 -0.120 0.000 1.109 286 T CA 1.285 63.251 62.100 -0.222 0.000 1.119 286 T CB -0.094 68.386 68.868 -0.647 0.000 0.900 286 T HN 0.500 nan 8.240 nan 0.000 0.503 287 T N 0.813 115.327 114.554 -0.067 0.000 2.580 287 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 287 T C 2.168 176.891 174.700 0.039 0.000 1.063 287 T CA 1.853 63.959 62.100 0.009 0.000 1.170 287 T CB -0.779 68.117 68.868 0.047 0.000 0.863 287 T HN 0.396 nan 8.240 nan 0.000 0.418 288 S N -0.345 115.356 115.700 0.002 0.000 2.368 288 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 288 S C 2.425 177.060 174.600 0.059 0.000 1.030 288 S CA 1.471 59.670 58.200 -0.000 0.000 0.999 288 S CB -0.945 62.153 63.200 -0.171 0.000 0.844 288 S HN 0.659 nan 8.310 nan 0.000 0.459 289 C N 1.059 120.372 119.300 0.023 0.000 2.436 289 C HA 0.104 4.564 4.460 -0.000 0.000 0.277 289 C C 2.878 177.945 174.990 0.129 0.000 1.241 289 C CA 1.091 60.151 59.018 0.070 0.000 1.721 289 C CB -1.761 25.986 27.740 0.013 0.000 2.043 289 C HN 0.709 nan 8.230 nan 0.000 0.472 290 G N -0.014 108.863 108.800 0.127 0.000 2.446 290 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 290 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 290 G C 1.505 176.509 174.900 0.175 0.000 1.168 290 G CA 1.189 46.366 45.100 0.128 0.000 0.771 290 G HN 0.796 nan 8.290 nan 0.000 0.551 291 N N -0.206 118.611 118.700 0.196 0.000 2.120 291 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 291 N C 2.319 177.928 175.510 0.165 0.000 1.024 291 N CA 1.512 54.704 53.050 0.235 0.000 0.852 291 N CB -0.162 38.373 38.487 0.079 0.000 1.003 291 N HN 0.248 nan 8.380 nan 0.000 0.424 292 T N 1.888 116.550 114.554 0.181 0.000 2.674 292 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 292 T C 2.084 176.913 174.700 0.216 0.000 1.039 292 T CA 0.785 63.018 62.100 0.221 0.000 1.150 292 T CB -0.416 68.663 68.868 0.352 0.000 0.864 292 T HN 0.127 nan 8.240 nan 0.000 0.427 293 L N 0.650 121.972 121.223 0.164 0.000 1.990 293 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 293 L C 2.960 179.947 176.870 0.195 0.000 1.072 293 L CA 1.537 56.454 54.840 0.129 0.000 0.755 293 L CB -1.128 40.962 42.059 0.052 0.000 0.889 293 L HN 0.318 nan 8.230 nan 0.000 0.432 294 T N -1.434 113.251 114.554 0.217 0.000 2.708 294 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 294 T C 2.007 176.907 174.700 0.334 0.000 1.037 294 T CA 1.475 63.728 62.100 0.256 0.000 1.146 294 T CB -0.528 68.515 68.868 0.293 0.000 0.865 294 T HN 0.482 nan 8.240 nan 0.000 0.435 295 C N 0.682 120.238 119.300 0.425 0.000 2.413 295 C HA -0.133 4.327 4.460 -0.000 0.000 0.276 295 C C 2.394 177.560 174.990 0.293 0.000 1.236 295 C CA 0.717 59.978 59.018 0.404 0.000 1.735 295 C CB -1.425 26.448 27.740 0.222 0.000 2.031 295 C HN 0.651 nan 8.230 nan 0.000 0.474 296 Y N 0.770 121.159 120.300 0.149 0.000 2.181 296 Y HA -0.105 4.445 4.550 -0.000 0.000 0.288 296 Y C 2.254 178.193 175.900 0.066 0.000 1.146 296 Y CA 2.017 60.179 58.100 0.105 0.000 1.164 296 Y CB -0.517 37.991 38.460 0.080 0.000 0.982 296 Y HN 0.372 nan 8.280 nan 0.000 0.515 297 L N 0.301 121.610 121.223 0.143 0.000 1.955 297 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 297 L C 2.360 179.160 176.870 -0.116 0.000 1.072 297 L CA 2.139 56.953 54.840 -0.043 0.000 0.755 297 L CB -0.478 41.541 42.059 -0.067 0.000 0.888 297 L HN 0.252 nan 8.230 nan 0.000 0.432 298 K N -0.175 120.228 120.400 0.005 0.000 2.001 298 K HA -0.231 4.089 4.320 -0.000 0.000 0.214 298 K C 2.076 178.681 176.600 0.009 0.000 1.050 298 K CA 1.663 57.953 56.287 0.005 0.000 0.934 298 K CB -0.472 32.125 32.500 0.161 0.000 0.718 298 K HN 0.474 nan 8.250 nan 0.000 0.443 299 A N 1.417 124.259 122.820 0.038 0.000 1.917 299 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 299 A C 2.313 179.918 177.584 0.035 0.000 1.182 299 A CA 2.171 54.255 52.037 0.078 0.000 0.633 299 A CB -0.671 18.434 19.000 0.174 0.000 0.819 299 A HN 0.239 nan 8.150 nan 0.000 0.448 300 S N -0.217 115.390 115.700 -0.155 0.000 2.348 300 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 300 S C 2.371 176.928 174.600 -0.071 0.000 1.033 300 S CA 1.318 59.402 58.200 -0.193 0.000 1.010 300 S CB -0.608 62.347 63.200 -0.409 0.000 0.891 300 S HN 0.845 nan 8.310 nan 0.000 0.442 301 A N 1.592 124.373 122.820 -0.066 0.000 1.908 301 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 301 A C 2.350 179.978 177.584 0.073 0.000 1.181 301 A CA 1.829 53.881 52.037 0.025 0.000 0.627 301 A CB -1.113 17.884 19.000 -0.006 0.000 0.818 301 A HN 0.528 nan 8.150 nan 0.000 0.445 302 A N -1.207 121.673 122.820 0.099 0.000 1.933 302 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 302 A C 2.301 179.883 177.584 -0.003 0.000 1.175 302 A CA 1.628 53.595 52.037 -0.117 0.000 0.628 302 A CB -1.248 17.323 19.000 -0.715 0.000 0.814 302 A HN 0.591 nan 8.150 nan 0.000 0.444 303 C N -0.924 118.492 119.300 0.194 0.000 2.432 303 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 303 C C 2.910 177.934 174.990 0.056 0.000 1.249 303 C CA 1.157 60.341 59.018 0.276 0.000 1.725 303 C CB -1.246 26.615 27.740 0.202 0.000 2.028 303 C HN 0.607 nan 8.230 nan 0.000 0.477 304 R N 0.835 121.286 120.500 -0.082 0.000 2.096 304 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 304 R C 2.349 178.396 176.300 -0.423 0.000 1.127 304 R CA 1.516 57.474 56.100 -0.238 0.000 0.968 304 R CB -0.498 29.620 30.300 -0.302 0.000 0.861 304 R HN 0.548 nan 8.270 nan 0.000 0.440 305 A N 1.219 123.753 122.820 -0.477 0.000 1.933 305 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 305 A C 2.172 179.706 177.584 -0.083 0.000 1.175 305 A CA 1.660 53.518 52.037 -0.298 0.000 0.628 305 A CB -0.344 18.575 19.000 -0.135 0.000 0.814 305 A HN 0.379 nan 8.150 nan 0.000 0.444 306 A N -1.305 121.503 122.820 -0.020 0.000 2.251 306 A HA 0.330 4.650 4.320 -0.000 0.000 0.209 306 A C 0.887 178.487 177.584 0.027 0.000 1.187 306 A CA 0.624 52.683 52.037 0.038 0.000 0.823 306 A CB -0.418 18.661 19.000 0.131 0.000 0.846 306 A HN 0.474 nan 8.150 nan 0.000 0.486 307 K N -0.661 119.741 120.400 0.004 0.000 3.148 307 K HA -0.161 4.159 4.320 -0.000 0.000 0.267 307 K C -0.691 175.922 176.600 0.022 0.000 0.996 307 K CA 0.422 56.716 56.287 0.011 0.000 0.737 307 K CB -1.955 30.555 32.500 0.017 0.000 1.308 307 K HN 0.561 nan 8.250 nan 0.000 0.470 308 L N 1.301 122.545 121.223 0.035 0.000 2.397 308 L HA 0.093 4.432 4.340 -0.000 0.000 0.271 308 L C 0.935 177.818 176.870 0.021 0.000 1.148 308 L CA -0.352 54.510 54.840 0.035 0.000 0.825 308 L CB 0.506 42.603 42.059 0.063 0.000 1.117 308 L HN 0.134 nan 8.230 nan 0.000 0.456 309 Q N 1.351 121.157 119.800 0.010 0.000 2.230 309 Q HA 0.179 4.519 4.340 -0.000 0.000 0.253 309 Q C -0.468 175.525 176.000 -0.012 0.000 0.919 309 Q CA -0.562 55.240 55.803 -0.000 0.000 0.908 309 Q CB 1.260 29.994 28.738 -0.006 0.000 1.245 309 Q HN 0.473 nan 8.270 nan 0.000 0.437 310 D N -0.080 120.314 120.400 -0.011 0.000 2.708 310 D HA -0.169 4.470 4.640 -0.000 0.000 0.236 310 D C -0.754 175.534 176.300 -0.020 0.000 1.146 310 D CA 0.409 54.398 54.000 -0.019 0.000 0.662 310 D CB -1.297 39.477 40.800 -0.043 0.000 1.059 310 D HN 0.480 nan 8.370 nan 0.000 0.428 311 C N -0.003 119.296 119.300 -0.002 0.000 2.657 311 C HA 0.455 4.914 4.460 -0.000 0.000 0.420 311 C C 1.336 176.332 174.990 0.010 0.000 1.323 311 C CA 0.200 59.216 59.018 -0.002 0.000 1.894 311 C CB 0.434 28.183 27.740 0.016 0.000 2.681 311 C HN 0.408 nan 8.230 nan 0.000 0.613 315 V N 3.900 123.872 119.914 0.096 0.000 2.540 315 V HA 0.495 4.614 4.120 -0.000 0.000 0.302 315 V C -0.066 175.967 176.094 -0.102 0.000 1.035 315 V CA -0.458 61.877 62.300 0.058 0.000 0.873 315 V CB 1.827 33.766 31.823 0.192 0.000 0.992 315 V HN 0.798 nan 8.190 nan 0.000 0.428 316 N N 2.460 121.046 118.700 -0.190 0.000 2.784 316 N HA 0.370 5.110 4.740 -0.000 0.000 0.227 316 N C 1.429 176.908 175.510 -0.051 0.000 1.109 316 N CA 0.760 53.504 53.050 -0.512 0.000 1.184 316 N CB -0.097 38.035 38.487 -0.592 0.000 1.554 316 N HN 0.693 nan 8.380 nan 0.000 0.589 317 G N 0.197 109.017 108.800 0.032 0.000 2.756 317 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.203 317 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.203 317 G C 0.209 175.012 174.900 -0.161 0.000 2.015 317 G CA 0.585 45.742 45.100 0.094 0.000 0.835 317 G HN 0.474 nan 8.290 nan 0.000 0.648 318 D N 0.000 120.189 120.400 -0.352 0.000 2.350 318 D HA 0.051 4.691 4.640 -0.000 0.000 0.213 318 D C 0.241 176.403 176.300 -0.230 0.000 1.031 318 D CA -0.169 53.372 54.000 -0.766 0.000 0.861 318 D CB -0.146 40.117 40.800 -0.895 0.000 0.926 318 D HN 0.143 nan 8.370 nan 0.000 0.520 319 D N 0.795 121.132 120.400 -0.105 0.000 2.425 319 D HA 0.149 4.789 4.640 -0.000 0.000 0.247 319 D C -0.617 175.692 176.300 0.014 0.000 1.147 319 D CA 0.059 54.045 54.000 -0.024 0.000 0.879 319 D CB 0.902 41.680 40.800 -0.036 0.000 1.179 319 D HN 0.079 nan 8.370 nan 0.000 0.456 320 L N 4.034 125.298 121.223 0.069 0.000 2.464 320 L HA 0.418 4.758 4.340 -0.000 0.000 0.266 320 L C -1.655 175.221 176.870 0.010 0.000 0.965 320 L CA -0.665 54.226 54.840 0.084 0.000 0.833 320 L CB 2.053 44.233 42.059 0.202 0.000 1.296 320 L HN 0.104 nan 8.230 nan 0.000 0.405 321 V N 4.730 124.604 119.914 -0.067 0.000 2.709 321 V HA 0.613 4.733 4.120 -0.000 0.000 0.308 321 V C -0.365 175.549 176.094 -0.301 0.000 1.062 321 V CA -0.670 61.512 62.300 -0.197 0.000 0.901 321 V CB 2.152 33.903 31.823 -0.120 0.000 1.003 321 V HN 0.509 nan 8.190 nan 0.000 0.425 322 V N 5.188 124.720 119.914 -0.638 0.000 2.680 322 V HA 0.621 4.741 4.120 -0.000 0.000 0.309 322 V C -0.565 175.279 176.094 -0.415 0.000 1.052 322 V CA -0.479 61.464 62.300 -0.594 0.000 0.908 322 V CB 2.170 33.403 31.823 -0.984 0.000 1.001 322 V HN 0.748 nan 8.190 nan 0.000 0.431 323 I N 4.167 124.621 120.570 -0.194 0.000 2.534 323 I HA 0.683 4.853 4.170 -0.000 0.000 0.288 323 I C -0.329 175.729 176.117 -0.098 0.000 1.077 323 I CA -0.302 60.942 61.300 -0.093 0.000 1.051 323 I CB 1.882 39.861 38.000 -0.035 0.000 1.234 323 I HN 0.903 nan 8.210 nan 0.000 0.425 324 C N 2.106 121.347 119.300 -0.099 0.000 3.335 324 C HA 0.586 5.046 4.460 -0.000 0.000 0.356 324 C C -0.708 174.208 174.990 -0.123 0.000 1.570 324 C CA -0.904 58.063 59.018 -0.085 0.000 1.271 324 C CB 1.827 29.554 27.740 -0.022 0.000 1.873 324 C HN 0.614 nan 8.230 nan 0.000 0.439 325 E N 1.718 121.867 120.200 -0.086 0.000 2.289 325 E HA 0.318 4.668 4.350 -0.000 0.000 0.278 325 E C -0.058 176.519 176.600 -0.037 0.000 1.032 325 E CA 0.464 56.813 56.400 -0.085 0.000 0.854 325 E CB 1.741 31.404 29.700 -0.062 0.000 1.046 325 E HN 0.710 nan 8.360 nan 0.000 0.409 326 S N 1.833 117.524 115.700 -0.016 0.000 2.549 326 S HA 0.263 4.733 4.470 -0.000 0.000 0.279 326 S C 0.573 175.191 174.600 0.031 0.000 1.321 326 S CA -0.011 58.226 58.200 0.062 0.000 1.054 326 S CB 0.612 63.915 63.200 0.172 0.000 0.899 326 S HN 0.515 nan 8.310 nan 0.000 0.497 327 A N 3.728 126.570 122.820 0.037 0.000 2.423 327 A HA 0.634 4.954 4.320 -0.000 0.000 0.246 327 A C 0.952 178.544 177.584 0.013 0.000 1.278 327 A CA 0.224 52.270 52.037 0.016 0.000 0.903 327 A CB -0.936 18.072 19.000 0.013 0.000 0.997 327 A HN 1.816 nan 8.150 nan 0.000 0.510 328 G N -1.578 107.235 108.800 0.021 0.000 2.592 328 G HA2 0.144 4.104 3.960 -0.000 0.000 0.685 328 G HA3 0.144 4.104 3.960 -0.000 0.000 0.685 328 G C 0.509 175.420 174.900 0.018 0.000 1.278 328 G CA 0.215 45.311 45.100 -0.007 0.000 0.822 328 G HN 1.062 nan 8.290 nan 0.000 0.652 329 T N -1.694 112.842 114.554 -0.030 0.000 2.684 329 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 329 T C 1.998 176.727 174.700 0.049 0.000 1.036 329 T CA 2.289 64.401 62.100 0.021 0.000 1.148 329 T CB -0.191 68.639 68.868 -0.064 0.000 0.863 329 T HN 0.493 nan 8.240 nan 0.000 0.436 330 Q N 0.959 120.768 119.800 0.014 0.000 2.167 330 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 330 Q C 2.270 178.279 176.000 0.015 0.000 0.970 330 Q CA 1.575 57.386 55.803 0.014 0.000 0.855 330 Q CB -0.344 28.395 28.738 0.002 0.000 0.911 330 Q HN 0.717 nan 8.270 nan 0.000 0.438 331 E N 0.315 120.525 120.200 0.016 0.000 2.106 331 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 331 E C 1.523 178.133 176.600 0.017 0.000 0.984 331 E CA 1.142 57.551 56.400 0.014 0.000 0.806 331 E CB 0.007 29.714 29.700 0.012 0.000 0.750 331 E HN 0.313 nan 8.360 nan 0.000 0.458 332 D N 0.282 120.705 120.400 0.039 0.000 2.123 332 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 332 D C 1.904 178.194 176.300 -0.018 0.000 0.976 332 D CA 1.340 55.356 54.000 0.026 0.000 0.831 332 D CB -0.432 40.429 40.800 0.101 0.000 0.974 332 D HN 0.184 nan 8.370 nan 0.000 0.469 333 A N 1.285 124.111 122.820 0.009 0.000 1.948 333 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 333 A C 2.311 179.878 177.584 -0.027 0.000 1.177 333 A CA 2.503 54.533 52.037 -0.012 0.000 0.636 333 A CB -0.696 18.311 19.000 0.012 0.000 0.815 333 A HN 0.261 nan 8.150 nan 0.000 0.449 334 A N -1.144 121.667 122.820 -0.015 0.000 1.872 334 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 334 A C 2.444 180.016 177.584 -0.021 0.000 1.187 334 A CA 1.857 53.886 52.037 -0.013 0.000 0.614 334 A CB -0.935 18.062 19.000 -0.005 0.000 0.826 334 A HN 0.434 nan 8.150 nan 0.000 0.442 335 S N -0.136 115.547 115.700 -0.027 0.000 2.359 335 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 335 S C 1.903 176.473 174.600 -0.050 0.000 1.039 335 S CA 1.444 59.627 58.200 -0.029 0.000 1.042 335 S CB -0.418 62.759 63.200 -0.038 0.000 0.915 335 S HN 0.415 nan 8.310 nan 0.000 0.439 336 L N 1.602 122.736 121.223 -0.148 0.000 1.978 336 L HA -0.166 4.174 4.340 -0.000 0.000 0.218 336 L C 2.491 179.337 176.870 -0.041 0.000 1.075 336 L CA 1.888 56.582 54.840 -0.243 0.000 0.767 336 L CB -1.270 40.604 42.059 -0.308 0.000 0.890 336 L HN 0.363 nan 8.230 nan 0.000 0.434 337 R N -1.250 119.235 120.500 -0.025 0.000 2.091 337 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 337 R C 2.147 178.455 176.300 0.014 0.000 1.136 337 R CA 1.315 57.420 56.100 0.008 0.000 0.959 337 R CB -0.447 29.851 30.300 -0.003 0.000 0.856 337 R HN 0.249 nan 8.270 nan 0.000 0.437 338 V N 0.686 120.607 119.914 0.011 0.000 2.427 338 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 338 V C 1.886 177.976 176.094 -0.008 0.000 1.051 338 V CA 1.602 63.899 62.300 -0.005 0.000 1.048 338 V CB -0.539 31.285 31.823 0.003 0.000 0.666 338 V HN 0.212 nan 8.190 nan 0.000 0.456 339 F N 1.490 121.373 119.950 -0.112 0.000 2.046 339 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 339 F C 2.759 178.471 175.800 -0.147 0.000 1.123 339 F CA 2.440 60.365 58.000 -0.125 0.000 1.199 339 F CB -0.710 38.196 39.000 -0.155 0.000 0.972 339 F HN 0.187 nan 8.300 nan 0.000 0.474 340 T N -0.996 113.598 114.554 0.067 0.000 2.962 340 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 340 T C 1.715 176.367 174.700 -0.080 0.000 1.088 340 T CA 1.782 63.890 62.100 0.014 0.000 1.127 340 T CB -0.496 68.537 68.868 0.275 0.000 0.883 340 T HN 0.548 nan 8.240 nan 0.000 0.493 341 E N 0.833 120.975 120.200 -0.097 0.000 2.028 341 E HA 0.172 4.522 4.350 -0.000 0.000 0.191 341 E C 1.500 177.958 176.600 -0.237 0.000 0.988 341 E CA 0.647 56.975 56.400 -0.120 0.000 0.799 341 E CB -0.185 29.462 29.700 -0.089 0.000 0.755 341 E HN 0.678 nan 8.360 nan 0.000 0.447 345 R N 0.013 120.375 120.500 -0.231 0.000 2.096 345 R HA 0.038 4.378 4.340 -0.000 0.000 0.235 345 R C 0.968 177.166 176.300 -0.170 0.000 1.127 345 R CA 1.541 57.490 56.100 -0.253 0.000 0.968 345 R CB -0.251 29.797 30.300 -0.420 0.000 0.861 345 R HN 0.485 nan 8.270 nan 0.000 0.440 346 Y N -0.122 120.120 120.300 -0.097 0.000 2.502 346 Y HA 0.105 4.655 4.550 -0.000 0.000 0.295 346 Y C 0.987 176.839 175.900 -0.080 0.000 1.193 346 Y CA 0.326 58.352 58.100 -0.123 0.000 1.295 346 Y CB -0.136 38.269 38.460 -0.091 0.000 1.059 346 Y HN 0.044 nan 8.280 nan 0.000 0.514 347 S N -0.613 115.130 115.700 0.070 0.000 3.696 347 S HA -0.157 4.313 4.470 -0.000 0.000 0.302 347 S C 0.016 174.655 174.600 0.064 0.000 1.182 347 S CA 0.461 58.697 58.200 0.061 0.000 0.857 347 S CB -1.490 61.732 63.200 0.037 0.000 0.960 347 S HN 0.697 nan 8.310 nan 0.000 0.559 348 A N 1.617 124.494 122.820 0.095 0.000 3.258 348 A HA 0.610 4.930 4.320 -0.000 0.000 0.318 348 A C -2.083 175.635 177.584 0.224 0.000 0.990 348 A CA -0.900 51.228 52.037 0.152 0.000 0.885 348 A CB 0.802 19.933 19.000 0.219 0.000 1.090 348 A HN 0.457 nan 8.150 nan 0.000 0.479 349 P HA 0.258 nan 4.420 nan 0.000 0.271 349 P C -2.896 174.486 177.300 0.137 0.000 1.218 349 P CA -0.959 62.211 63.100 0.117 0.000 0.780 349 P CB 0.796 32.497 31.700 0.001 0.000 0.901 350 P HA 0.106 nan 4.420 nan 0.000 0.281 350 P C 0.678 177.927 177.300 -0.085 0.000 1.249 350 P CA 0.020 63.073 63.100 -0.078 0.000 0.810 350 P CB 0.974 32.668 31.700 -0.010 0.000 1.008 351 G N 1.934 110.655 108.800 -0.131 0.000 2.624 351 G HA2 0.011 3.971 3.960 -0.000 0.000 0.216 351 G HA3 0.011 3.971 3.960 -0.000 0.000 0.216 351 G C -0.049 174.810 174.900 -0.070 0.000 1.274 351 G CA 0.121 45.173 45.100 -0.079 0.000 0.856 351 G HN 0.674 nan 8.290 nan 0.000 0.555 352 D N 1.374 121.729 120.400 -0.076 0.000 2.217 352 D HA 0.392 5.032 4.640 -0.000 0.000 0.243 352 D C -2.927 173.347 176.300 -0.043 0.000 1.054 352 D CA -1.812 52.160 54.000 -0.047 0.000 0.838 352 D CB 1.655 42.433 40.800 -0.037 0.000 1.162 352 D HN -0.028 nan 8.370 nan 0.000 0.472 353 P HA 0.065 nan 4.420 nan 0.000 0.261 353 P C -2.192 175.131 177.300 0.037 0.000 1.173 353 P CA -0.488 62.628 63.100 0.025 0.000 0.760 353 P CB -0.181 31.532 31.700 0.022 0.000 0.783 354 P HA 0.068 nan 4.420 nan 0.000 0.271 354 P C -0.811 176.500 177.300 0.019 0.000 1.216 354 P CA 0.072 63.238 63.100 0.110 0.000 0.771 354 P CB 0.781 32.626 31.700 0.243 0.000 0.864 355 Q N 2.746 122.566 119.800 0.033 0.000 2.333 355 Q HA 0.447 4.787 4.340 -0.000 0.000 0.267 355 Q C -2.386 173.612 176.000 -0.003 0.000 1.012 355 Q CA -2.095 53.709 55.803 0.002 0.000 0.824 355 Q CB 1.496 30.246 28.738 0.020 0.000 1.290 355 Q HN 0.353 nan 8.270 nan 0.000 0.449 356 P HA 0.118 nan 4.420 nan 0.000 0.271 356 P C -0.494 176.681 177.300 -0.208 0.000 1.216 356 P CA 0.052 63.073 63.100 -0.132 0.000 0.771 356 P CB 0.829 32.443 31.700 -0.143 0.000 0.864 357 E N 1.938 121.978 120.200 -0.267 0.000 2.222 357 E HA 0.211 4.561 4.350 -0.000 0.000 0.267 357 E C -0.480 175.928 176.600 -0.321 0.000 0.884 357 E CA -0.377 55.897 56.400 -0.209 0.000 0.764 357 E CB 1.345 31.015 29.700 -0.050 0.000 1.169 357 E HN 0.451 nan 8.360 nan 0.000 0.413 358 Y N -0.017 120.418 120.300 0.225 0.000 2.481 358 Y HA 0.150 4.700 4.550 -0.000 0.000 0.247 358 Y C 0.425 176.540 175.900 0.359 0.000 1.151 358 Y CA -0.383 57.912 58.100 0.325 0.000 1.238 358 Y CB 0.989 39.552 38.460 0.172 0.000 1.179 358 Y HN 0.269 nan 8.280 nan 0.000 0.524 359 D N 0.668 121.192 120.400 0.206 0.000 2.461 359 D HA 0.140 4.780 4.640 -0.000 0.000 0.240 359 D C 0.960 177.083 176.300 -0.295 0.000 1.094 359 D CA -0.133 53.879 54.000 0.020 0.000 0.868 359 D CB 0.787 41.608 40.800 0.036 0.000 1.062 359 D HN 0.135 nan 8.370 nan 0.000 0.530 360 L N 2.992 123.752 121.223 -0.772 0.000 2.064 360 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 360 L C 1.929 178.489 176.870 -0.516 0.000 1.077 360 L CA 1.772 55.962 54.840 -1.083 0.000 0.766 360 L CB -0.003 41.176 42.059 -1.467 0.000 0.890 360 L HN 0.603 nan 8.230 nan 0.000 0.435 361 E N -0.130 119.869 120.200 -0.335 0.000 2.204 361 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 361 E C 1.994 178.498 176.600 -0.161 0.000 0.990 361 E CA 0.911 57.185 56.400 -0.210 0.000 0.821 361 E CB -0.093 29.524 29.700 -0.137 0.000 0.750 361 E HN 0.619 nan 8.360 nan 0.000 0.477 362 L N 1.070 122.205 121.223 -0.147 0.000 2.599 362 L HA 0.163 4.503 4.340 -0.000 0.000 0.230 362 L C 0.489 177.302 176.870 -0.096 0.000 1.141 362 L CA -0.084 54.699 54.840 -0.094 0.000 0.877 362 L CB 0.033 42.060 42.059 -0.054 0.000 1.009 362 L HN 0.121 nan 8.230 nan 0.000 0.447 363 I N 0.218 120.702 120.570 -0.143 0.000 2.304 363 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 363 I C -0.053 176.006 176.117 -0.097 0.000 1.018 363 I CA 0.082 61.313 61.300 -0.116 0.000 1.260 363 I CB 1.251 39.158 38.000 -0.156 0.000 1.390 363 I HN -0.083 nan 8.210 nan 0.000 0.475 364 T N 4.891 119.409 114.554 -0.061 0.000 2.758 364 T HA 0.382 4.732 4.350 -0.000 0.000 0.285 364 T C -0.040 174.641 174.700 -0.032 0.000 0.981 364 T CA -0.595 61.477 62.100 -0.046 0.000 0.965 364 T CB 1.011 69.857 68.868 -0.037 0.000 0.927 364 T HN 0.707 nan 8.240 nan 0.000 0.448 365 S N 1.007 116.690 115.700 -0.029 0.000 2.526 365 S HA 0.425 4.895 4.470 -0.000 0.000 0.293 365 S C 0.389 174.988 174.600 -0.002 0.000 1.092 365 S CA -0.721 57.467 58.200 -0.020 0.000 0.980 365 S CB 0.733 63.913 63.200 -0.034 0.000 1.048 365 S HN 0.906 nan 8.310 nan 0.000 0.483 366 C N 2.169 121.469 119.300 0.000 0.000 4.268 366 C HA -0.168 4.292 4.460 -0.000 0.000 0.299 366 C C 1.393 176.413 174.990 0.049 0.000 1.429 366 C CA 0.716 59.745 59.018 0.018 0.000 2.018 366 C CB -3.312 24.432 27.740 0.007 0.000 1.277 366 C HN 1.571 nan 8.230 nan 0.000 0.767 367 S N -2.072 113.647 115.700 0.031 0.000 3.261 367 S HA -0.195 4.275 4.470 -0.000 0.000 0.287 367 S C 0.329 174.950 174.600 0.035 0.000 1.281 367 S CA 1.335 59.552 58.200 0.027 0.000 1.053 367 S CB -0.866 62.361 63.200 0.045 0.000 1.251 367 S HN 1.007 nan 8.310 nan 0.000 0.659 368 S N 1.132 116.862 115.700 0.051 0.000 2.709 368 S HA 0.803 5.273 4.470 -0.000 0.000 0.302 368 S C -0.256 174.350 174.600 0.010 0.000 1.127 368 S CA -0.633 57.610 58.200 0.072 0.000 0.905 368 S CB 1.980 65.290 63.200 0.183 0.000 1.151 368 S HN 0.688 nan 8.310 nan 0.000 0.510 369 N N -1.593 117.104 118.700 -0.006 0.000 2.610 369 N HA 0.597 5.336 4.740 -0.000 0.000 0.264 369 N C -1.708 173.736 175.510 -0.111 0.000 1.348 369 N CA -0.839 52.167 53.050 -0.073 0.000 0.819 369 N CB 0.652 39.085 38.487 -0.090 0.000 1.521 369 N HN 0.310 nan 8.380 nan 0.000 0.497 370 V N 0.007 119.820 119.914 -0.168 0.000 2.644 370 V HA 0.755 4.875 4.120 -0.000 0.000 0.295 370 V C 0.113 176.054 176.094 -0.255 0.000 1.053 370 V CA -0.328 61.846 62.300 -0.209 0.000 0.987 370 V CB 1.036 32.740 31.823 -0.199 0.000 1.006 370 V HN 0.864 nan 8.190 nan 0.000 0.472 371 S N 2.286 117.749 115.700 -0.396 0.000 2.638 371 S HA 0.819 5.289 4.470 -0.000 0.000 0.274 371 S C -1.310 173.091 174.600 -0.333 0.000 1.157 371 S CA -0.489 57.485 58.200 -0.378 0.000 0.826 371 S CB 2.053 64.981 63.200 -0.453 0.000 1.139 371 S HN 0.452 nan 8.310 nan 0.000 0.474 372 V N 1.256 121.066 119.914 -0.173 0.000 2.815 372 V HA 1.032 5.152 4.120 -0.000 0.000 0.314 372 V C 0.329 176.303 176.094 -0.200 0.000 1.064 372 V CA -0.121 62.009 62.300 -0.283 0.000 0.952 372 V CB 1.158 32.702 31.823 -0.464 0.000 1.020 372 V HN 1.264 nan 8.190 nan 0.000 0.439 373 A N 1.504 124.047 122.820 -0.462 0.000 2.515 373 A HA 0.849 5.169 4.320 -0.000 0.000 0.299 373 A C -1.515 175.539 177.584 -0.884 0.000 1.179 373 A CA -0.614 51.002 52.037 -0.702 0.000 0.656 373 A CB 1.732 20.196 19.000 -0.894 0.000 1.306 373 A HN 0.857 nan 8.150 nan 0.000 0.459 374 H N 0.583 119.350 119.070 -0.506 0.000 2.690 374 H HA 0.431 4.987 4.556 -0.000 0.000 0.368 374 H C -1.028 174.112 175.328 -0.313 0.000 1.150 374 H CA -0.256 55.541 56.048 -0.418 0.000 1.174 374 H CB 1.895 31.355 29.762 -0.503 0.000 1.684 374 H HN 0.925 nan 8.280 nan 0.000 0.538 375 D N 0.482 120.887 120.400 0.008 0.000 2.506 375 D HA 0.212 4.852 4.640 -0.000 0.000 0.272 375 D C 1.114 177.564 176.300 0.250 0.000 1.214 375 D CA -0.320 53.739 54.000 0.099 0.000 1.067 375 D CB 0.883 41.713 40.800 0.049 0.000 1.117 375 D HN 0.454 nan 8.370 nan 0.000 0.578 376 A N 0.626 123.548 122.820 0.170 0.000 1.869 376 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 376 A C 2.217 179.865 177.584 0.108 0.000 1.203 376 A CA 3.590 55.693 52.037 0.109 0.000 0.638 376 A CB -1.517 17.513 19.000 0.050 0.000 0.831 376 A HN 0.766 nan 8.150 nan 0.000 0.450 377 S N -1.313 114.435 115.700 0.081 0.000 2.493 377 S HA 0.207 4.677 4.470 -0.000 0.000 0.243 377 S C 1.559 176.198 174.600 0.065 0.000 0.991 377 S CA 1.574 59.810 58.200 0.060 0.000 0.957 377 S CB -0.672 62.557 63.200 0.048 0.000 0.756 377 S HN 2.226 nan 8.310 nan 0.000 0.521 378 G N 1.124 109.987 108.800 0.104 0.000 2.176 378 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.232 378 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.232 378 G C -0.007 174.923 174.900 0.049 0.000 0.986 378 G CA 0.168 45.306 45.100 0.063 0.000 0.643 378 G HN 1.004 nan 8.290 nan 0.000 0.522 379 K N 0.616 121.058 120.400 0.070 0.000 2.180 379 K HA 0.525 4.845 4.320 -0.000 0.000 0.251 379 K C 0.285 176.942 176.600 0.095 0.000 1.014 379 K CA -0.572 55.760 56.287 0.075 0.000 0.913 379 K CB 0.798 33.328 32.500 0.049 0.000 1.008 379 K HN 0.240 nan 8.250 nan 0.000 0.490 380 R N 0.932 121.459 120.500 0.045 0.000 2.389 380 R HA 0.215 4.554 4.340 -0.000 0.000 0.295 380 R C -0.817 175.350 176.300 -0.223 0.000 1.075 380 R CA -0.567 55.431 56.100 -0.169 0.000 1.005 380 R CB 1.072 31.245 30.300 -0.210 0.000 0.987 380 R HN 0.366 nan 8.270 nan 0.000 0.452 381 V N 4.802 124.500 119.914 -0.360 0.000 2.443 381 V HA 0.232 4.352 4.120 -0.000 0.000 0.293 381 V C -1.014 174.944 176.094 -0.228 0.000 1.021 381 V CA -0.901 61.278 62.300 -0.201 0.000 0.848 381 V CB 1.161 32.901 31.823 -0.138 0.000 0.998 381 V HN 0.599 nan 8.190 nan 0.000 0.424 382 Y N 5.580 125.883 120.300 0.006 0.000 2.313 382 Y HA 0.618 5.168 4.550 -0.000 0.000 0.332 382 Y C 0.167 176.122 175.900 0.091 0.000 1.071 382 Y CA -0.244 57.858 58.100 0.003 0.000 1.169 382 Y CB 0.967 39.387 38.460 -0.067 0.000 1.192 382 Y HN 0.741 nan 8.280 nan 0.000 0.487 383 Y N 0.750 121.085 120.300 0.058 0.000 2.705 383 Y HA 0.806 5.356 4.550 -0.000 0.000 0.332 383 Y C -1.991 173.956 175.900 0.078 0.000 1.157 383 Y CA -1.915 56.213 58.100 0.048 0.000 1.091 383 Y CB 1.089 39.544 38.460 -0.009 0.000 1.301 383 Y HN 0.428 nan 8.280 nan 0.000 0.488 384 L N 1.594 122.849 121.223 0.055 0.000 2.307 384 L HA 0.777 5.116 4.340 -0.000 0.000 0.284 384 L C -0.740 176.274 176.870 0.240 0.000 1.023 384 L CA 0.187 55.050 54.840 0.039 0.000 0.810 384 L CB 1.851 43.986 42.059 0.128 0.000 1.231 384 L HN 0.995 nan 8.230 nan 0.000 0.423 385 T N 3.534 118.176 114.554 0.147 0.000 2.742 385 T HA 0.821 5.171 4.350 -0.000 0.000 0.282 385 T C -1.157 173.625 174.700 0.137 0.000 1.025 385 T CA -0.918 61.347 62.100 0.275 0.000 1.020 385 T CB 1.842 70.850 68.868 0.234 0.000 1.317 385 T HN 0.758 nan 8.240 nan 0.000 0.538 386 R N -0.152 120.358 120.500 0.017 0.000 2.712 386 R HA 0.463 4.803 4.340 -0.000 0.000 0.272 386 R C -1.897 174.208 176.300 -0.325 0.000 1.032 386 R CA -0.961 55.046 56.100 -0.156 0.000 0.874 386 R CB 0.759 30.915 30.300 -0.239 0.000 1.256 386 R HN 0.586 nan 8.270 nan 0.000 0.468 387 D N 2.461 122.681 120.400 -0.300 0.000 2.458 387 D HA 0.040 4.680 4.640 -0.000 0.000 0.243 387 D C -1.370 174.551 176.300 -0.632 0.000 1.146 387 D CA -1.324 52.452 54.000 -0.373 0.000 0.877 387 D CB 1.270 41.933 40.800 -0.229 0.000 1.176 387 D HN 0.415 nan 8.370 nan 0.000 0.461 388 P HA -0.012 nan 4.420 nan 0.000 0.249 388 P C 1.094 178.072 177.300 -0.537 0.000 1.229 388 P CA 0.128 62.562 63.100 -1.109 0.000 0.788 388 P CB 0.295 31.189 31.700 -1.343 0.000 1.072 389 T N 0.205 114.554 114.554 -0.342 0.000 2.580 389 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 389 T C 1.843 176.466 174.700 -0.128 0.000 1.063 389 T CA 2.533 64.527 62.100 -0.177 0.000 1.170 389 T CB -1.297 67.508 68.868 -0.105 0.000 0.863 389 T HN 0.180 nan 8.240 nan 0.000 0.418 390 T N 2.363 116.850 114.554 -0.113 0.000 2.684 390 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 390 T C -0.559 174.098 174.700 -0.071 0.000 1.036 390 T CA 1.396 63.462 62.100 -0.056 0.000 1.148 390 T CB -1.179 67.687 68.868 -0.002 0.000 0.863 390 T HN 0.342 nan 8.240 nan 0.000 0.436 391 P HA 0.020 nan 4.420 nan 0.000 0.216 391 P C 1.463 178.779 177.300 0.028 0.000 1.150 391 P CA 0.833 63.919 63.100 -0.023 0.000 0.837 391 P CB -0.125 31.539 31.700 -0.060 0.000 0.786 392 L N -1.141 120.054 121.223 -0.048 0.000 2.023 392 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 392 L C 2.518 179.409 176.870 0.035 0.000 1.073 392 L CA 1.545 56.380 54.840 -0.008 0.000 0.745 392 L CB -1.332 40.689 42.059 -0.062 0.000 0.900 392 L HN -0.067 nan 8.230 nan 0.000 0.435 393 A N 0.455 123.290 122.820 0.024 0.000 1.873 393 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 393 A C 2.361 180.011 177.584 0.111 0.000 1.193 393 A CA 2.054 54.133 52.037 0.069 0.000 0.629 393 A CB -0.647 18.373 19.000 0.035 0.000 0.826 393 A HN 0.355 nan 8.150 nan 0.000 0.447 394 R N -0.679 119.852 120.500 0.052 0.000 2.096 394 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 394 R C 2.485 178.908 176.300 0.205 0.000 1.127 394 R CA 1.056 57.198 56.100 0.070 0.000 0.968 394 R CB -0.509 29.773 30.300 -0.030 0.000 0.861 394 R HN 0.538 nan 8.270 nan 0.000 0.440 395 A N 1.702 124.648 122.820 0.209 0.000 1.883 395 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 395 A C 2.408 180.142 177.584 0.249 0.000 1.186 395 A CA 1.828 54.056 52.037 0.318 0.000 0.624 395 A CB -0.806 18.352 19.000 0.263 0.000 0.822 395 A HN 0.397 nan 8.150 nan 0.000 0.444 396 A N -0.967 121.942 122.820 0.148 0.000 1.842 396 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 396 A C 2.087 179.797 177.584 0.210 0.000 1.206 396 A CA 1.733 53.843 52.037 0.121 0.000 0.630 396 A CB -1.333 17.742 19.000 0.127 0.000 0.839 396 A HN 0.832 nan 8.150 nan 0.000 0.447 397 W N 0.933 122.271 121.300 0.064 0.000 2.290 397 W HA -0.242 4.418 4.660 -0.000 0.000 0.328 397 W C 1.832 178.409 176.519 0.097 0.000 1.272 397 W CA 2.383 59.766 57.345 0.063 0.000 1.262 397 W CB -0.769 28.705 29.460 0.025 0.000 1.151 397 W HN 0.592 nan 8.180 nan 0.000 0.473 398 E N -1.068 119.437 120.200 0.508 0.000 2.510 398 E HA -0.127 4.223 4.350 -0.000 0.000 0.202 398 E C 1.783 178.598 176.600 0.359 0.000 1.072 398 E CA 1.309 57.968 56.400 0.431 0.000 0.883 398 E CB -0.022 29.947 29.700 0.449 0.000 0.818 398 E HN 0.180 nan 8.360 nan 0.000 0.548 399 T N -0.414 114.303 114.554 0.272 0.000 3.044 399 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 399 T C 1.436 176.209 174.700 0.122 0.000 1.073 399 T CA 0.652 62.865 62.100 0.189 0.000 1.125 399 T CB 0.433 69.370 68.868 0.115 0.000 0.908 399 T HN 0.127 nan 8.240 nan 0.000 0.480 400 A N 1.371 124.240 122.820 0.081 0.000 2.507 400 A HA 0.485 4.805 4.320 -0.000 0.000 0.270 400 A C 0.500 178.090 177.584 0.010 0.000 1.318 400 A CA -0.262 51.776 52.037 0.002 0.000 0.924 400 A CB 0.171 19.112 19.000 -0.098 0.000 1.061 400 A HN 0.068 nan 8.150 nan 0.000 0.516 401 R N -0.977 119.596 120.500 0.122 0.000 2.634 401 R HA 0.151 4.491 4.340 -0.000 0.000 0.263 401 R C 0.228 176.690 176.300 0.271 0.000 1.060 401 R CA -0.364 55.856 56.100 0.201 0.000 0.898 401 R CB 0.442 30.886 30.300 0.240 0.000 1.253 401 R HN 0.547 nan 8.270 nan 0.000 0.461 402 H N 0.342 119.487 119.070 0.125 0.000 2.457 402 H HA -0.050 4.506 4.556 -0.000 0.000 0.294 402 H C -0.228 175.186 175.328 0.143 0.000 1.064 402 H CA 1.424 57.547 56.048 0.125 0.000 1.330 402 H CB -0.429 29.385 29.762 0.087 0.000 1.395 402 H HN 0.688 nan 8.280 nan 0.000 0.541 403 T N 0.470 114.810 114.554 -0.357 0.000 2.054 403 T HA -0.103 4.247 4.350 -0.000 0.000 0.613 403 T C -1.855 172.673 174.700 -0.288 0.000 0.937 403 T CA 0.261 62.177 62.100 -0.307 0.000 3.560 403 T CB -0.952 67.938 68.868 0.035 0.000 1.457 403 T HN 0.272 nan 8.240 nan 0.000 0.293 404 P HA 0.080 nan 4.420 nan 0.000 0.229 404 P C 0.462 177.670 177.300 -0.153 0.000 1.147 404 P CA 0.564 63.526 63.100 -0.230 0.000 0.766 404 P CB 0.171 31.721 31.700 -0.249 0.000 0.775 405 V N 0.287 120.124 119.914 -0.127 0.000 2.531 405 V HA 0.342 4.462 4.120 -0.000 0.000 0.301 405 V C -0.912 175.123 176.094 -0.099 0.000 1.034 405 V CA -0.911 61.322 62.300 -0.112 0.000 0.865 405 V CB 1.681 33.435 31.823 -0.116 0.000 0.995 405 V HN -0.162 nan 8.190 nan 0.000 0.424 406 N N 4.764 123.344 118.700 -0.200 0.000 2.949 406 N HA 0.115 4.855 4.740 -0.000 0.000 0.243 406 N C 1.230 176.445 175.510 -0.492 0.000 1.113 406 N CA 0.516 53.304 53.050 -0.438 0.000 0.980 406 N CB 1.646 39.639 38.487 -0.824 0.000 1.256 406 N HN 0.877 nan 8.380 nan 0.000 0.508 407 S N 1.592 117.160 115.700 -0.219 0.000 2.383 407 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 407 S C 1.890 176.415 174.600 -0.125 0.000 1.026 407 S CA 0.184 58.301 58.200 -0.138 0.000 0.981 407 S CB -0.428 62.746 63.200 -0.043 0.000 0.818 407 S HN 0.747 nan 8.310 nan 0.000 0.472 408 W N 1.543 122.768 121.300 -0.125 0.000 2.335 408 W HA -0.103 4.557 4.660 -0.000 0.000 0.311 408 W C 1.784 178.172 176.519 -0.218 0.000 1.213 408 W CA 0.712 57.930 57.345 -0.211 0.000 1.274 408 W CB -1.251 27.858 29.460 -0.586 0.000 1.148 408 W HN 0.388 nan 8.180 nan 0.000 0.498 409 L N 3.012 123.529 121.223 -1.178 0.000 2.191 409 L HA 0.108 4.448 4.340 -0.000 0.000 0.212 409 L C 2.549 179.180 176.870 -0.398 0.000 1.103 409 L CA 2.571 56.804 54.840 -1.012 0.000 0.769 409 L CB -1.243 39.940 42.059 -1.461 0.000 0.908 409 L HN 0.057 nan 8.230 nan 0.000 0.438 410 G N -0.698 107.904 108.800 -0.329 0.000 2.404 410 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 410 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 410 G C 1.447 176.312 174.900 -0.058 0.000 1.174 410 G CA 0.662 45.654 45.100 -0.179 0.000 0.780 410 G HN 0.444 nan 8.290 nan 0.000 0.537 411 N N 0.585 119.319 118.700 0.056 0.000 2.244 411 N HA -0.011 4.729 4.740 -0.000 0.000 0.183 411 N C 2.216 177.817 175.510 0.152 0.000 1.016 411 N CA 0.549 53.755 53.050 0.259 0.000 0.866 411 N CB -0.105 38.621 38.487 0.399 0.000 0.980 411 N HN 0.310 nan 8.380 nan 0.000 0.430 412 I N 1.057 121.673 120.570 0.076 0.000 2.286 412 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 412 I C 1.167 177.270 176.117 -0.024 0.000 1.115 412 I CA 0.687 62.005 61.300 0.029 0.000 1.392 412 I CB 0.008 38.090 38.000 0.137 0.000 1.065 412 I HN 0.008 nan 8.210 nan 0.000 0.418 416 A N 0.740 123.310 122.820 -0.417 0.000 1.903 416 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 416 A C -0.586 176.663 177.584 -0.558 0.000 1.191 416 A CA 2.163 53.904 52.037 -0.493 0.000 0.638 416 A CB -1.354 17.333 19.000 -0.521 0.000 0.823 416 A HN 0.328 nan 8.150 nan 0.000 0.451 417 P HA -0.030 nan 4.420 nan 0.000 0.222 417 P C 0.776 177.775 177.300 -0.500 0.000 1.147 417 P CA 1.402 64.196 63.100 -0.511 0.000 0.790 417 P CB -0.476 30.988 31.700 -0.393 0.000 0.780 418 T N -2.684 111.612 114.554 -0.430 0.000 2.900 418 T HA 0.046 4.396 4.350 -0.000 0.000 0.307 418 T C 1.209 175.477 174.700 -0.721 0.000 1.065 418 T CA -0.526 61.293 62.100 -0.468 0.000 1.105 418 T CB 0.456 68.906 68.868 -0.696 0.000 0.979 418 T HN -0.084 nan 8.240 nan 0.000 0.544 419 L N 2.115 122.830 121.223 -0.846 0.000 2.017 419 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 419 L C 2.536 179.022 176.870 -0.639 0.000 1.073 419 L CA 1.602 55.820 54.840 -1.036 0.000 0.745 419 L CB -0.424 40.916 42.059 -1.197 0.000 0.894 419 L HN 0.946 nan 8.230 nan 0.000 0.432 420 W N -0.273 120.785 121.300 -0.404 0.000 2.409 420 W HA -0.019 4.641 4.660 -0.000 0.000 0.299 420 W C 2.145 178.491 176.519 -0.289 0.000 1.203 420 W CA 0.695 57.845 57.345 -0.325 0.000 1.298 420 W CB -1.423 27.889 29.460 -0.247 0.000 1.127 420 W HN 0.252 nan 8.180 nan 0.000 0.528 421 A N 1.486 123.728 122.820 -0.963 0.000 1.933 421 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 421 A C 1.737 179.077 177.584 -0.407 0.000 1.175 421 A CA 1.174 52.806 52.037 -0.674 0.000 0.628 421 A CB -0.780 17.665 19.000 -0.925 0.000 0.814 421 A HN 0.266 nan 8.150 nan 0.000 0.444 428 H N 0.769 119.984 119.070 0.241 0.000 2.321 428 H HA -0.074 4.482 4.556 -0.000 0.000 0.295 428 H C 1.745 176.982 175.328 -0.151 0.000 1.102 428 H CA 2.169 58.248 56.048 0.052 0.000 1.266 428 H CB -0.380 29.234 29.762 -0.247 0.000 1.363 428 H HN 0.407 nan 8.280 nan 0.000 0.492 429 F N -0.842 119.238 119.950 0.218 0.000 2.270 429 F HA -0.028 4.499 4.527 -0.000 0.000 0.295 429 F C 2.439 178.306 175.800 0.110 0.000 1.087 429 F CA 0.230 58.217 58.000 -0.022 0.000 1.365 429 F CB -0.556 38.158 39.000 -0.477 0.000 1.056 429 F HN 0.049 nan 8.300 nan 0.000 0.506 430 F N -0.026 120.100 119.950 0.293 0.000 2.365 430 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 430 F C 2.613 178.464 175.800 0.085 0.000 1.090 430 F CA 1.018 59.163 58.000 0.241 0.000 1.408 430 F CB -0.877 38.344 39.000 0.368 0.000 1.060 430 F HN -0.064 nan 8.300 nan 0.000 0.534 431 S N 0.507 116.319 115.700 0.187 0.000 2.336 431 S HA -0.173 4.297 4.470 -0.000 0.000 0.214 431 S C 2.246 176.816 174.600 -0.050 0.000 1.032 431 S CA 1.482 59.695 58.200 0.022 0.000 1.001 431 S CB -0.500 62.672 63.200 -0.047 0.000 0.953 431 S HN 0.302 nan 8.310 nan 0.000 0.430 432 I N 1.640 122.132 120.570 -0.129 0.000 2.248 432 I HA -0.210 3.959 4.170 -0.000 0.000 0.248 432 I C 2.185 178.277 176.117 -0.040 0.000 1.107 432 I CA 1.214 62.445 61.300 -0.114 0.000 1.373 432 I CB -0.411 37.495 38.000 -0.157 0.000 1.055 432 I HN 0.360 nan 8.210 nan 0.000 0.418 433 L N -0.123 121.087 121.223 -0.022 0.000 2.141 433 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 433 L C 2.454 179.299 176.870 -0.040 0.000 1.094 433 L CA 1.012 55.833 54.840 -0.033 0.000 0.763 433 L CB -0.357 41.638 42.059 -0.107 0.000 0.908 433 L HN 0.299 nan 8.230 nan 0.000 0.437 434 L N -0.639 120.565 121.223 -0.033 0.000 2.068 434 L HA -0.101 4.239 4.340 -0.000 0.000 0.204 434 L C 2.893 179.748 176.870 -0.024 0.000 1.076 434 L CA 0.897 55.723 54.840 -0.024 0.000 0.753 434 L CB -0.600 41.450 42.059 -0.014 0.000 0.910 434 L HN 0.203 nan 8.230 nan 0.000 0.439 435 A N -0.083 122.719 122.820 -0.031 0.000 1.849 435 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 435 A C 1.506 179.078 177.584 -0.020 0.000 1.202 435 A CA 1.302 53.320 52.037 -0.032 0.000 0.629 435 A CB -0.650 18.323 19.000 -0.045 0.000 0.834 435 A HN 0.438 nan 8.150 nan 0.000 0.447 436 Q N -1.405 118.386 119.800 -0.015 0.000 2.335 436 Q HA 0.248 4.588 4.340 -0.000 0.000 0.180 436 Q C 0.437 176.435 176.000 -0.002 0.000 1.101 436 Q CA 0.183 55.984 55.803 -0.003 0.000 1.165 436 Q CB 0.108 28.852 28.738 0.009 0.000 1.220 436 Q HN 0.623 nan 8.270 nan 0.000 0.626 437 E N -0.309 119.895 120.200 0.006 0.000 2.498 437 E HA -0.013 4.337 4.350 -0.000 0.000 0.203 437 E C 0.146 176.751 176.600 0.008 0.000 1.013 437 E CA -0.037 56.365 56.400 0.005 0.000 0.927 437 E CB 0.515 30.219 29.700 0.007 0.000 1.012 437 E HN 0.399 nan 8.360 nan 0.000 0.482 438 Q N 1.080 120.891 119.800 0.018 0.000 2.185 438 Q HA -0.007 4.333 4.340 -0.000 0.000 0.179 438 Q C 1.352 177.361 176.000 0.014 0.000 0.810 438 Q CA 0.122 55.943 55.803 0.029 0.000 1.021 438 Q CB -0.195 28.576 28.738 0.056 0.000 1.244 438 Q HN 0.326 nan 8.270 nan 0.000 0.404 439 L N -0.379 120.839 121.223 -0.009 0.000 2.270 439 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 439 L C 0.850 177.709 176.870 -0.018 0.000 1.104 439 L CA 0.952 55.767 54.840 -0.042 0.000 0.804 439 L CB 0.458 42.489 42.059 -0.047 0.000 0.937 439 L HN 0.215 nan 8.230 nan 0.000 0.450 440 E N -0.666 119.538 120.200 0.006 0.000 2.481 440 E HA 0.012 4.362 4.350 -0.000 0.000 0.198 440 E C 0.037 176.654 176.600 0.028 0.000 1.027 440 E CA -0.039 56.371 56.400 0.018 0.000 0.900 440 E CB 0.202 29.913 29.700 0.019 0.000 0.993 440 E HN -0.065 nan 8.360 nan 0.000 0.482 441 K N 1.885 122.305 120.400 0.034 0.000 2.363 441 K HA 0.312 4.632 4.320 -0.000 0.000 0.289 441 K C -0.267 176.365 176.600 0.054 0.000 1.063 441 K CA -0.178 56.136 56.287 0.046 0.000 0.967 441 K CB 0.045 32.578 32.500 0.056 0.000 0.987 441 K HN 0.045 nan 8.250 nan 0.000 0.473 442 A N 4.769 127.618 122.820 0.048 0.000 2.448 442 A HA 0.408 4.728 4.320 -0.000 0.000 0.239 442 A C -0.520 177.095 177.584 0.051 0.000 1.080 442 A CA -0.035 52.030 52.037 0.047 0.000 0.779 442 A CB 0.003 19.029 19.000 0.043 0.000 1.026 442 A HN 0.731 nan 8.150 nan 0.000 0.499 443 L N 0.831 122.074 121.223 0.034 0.000 2.422 443 L HA 0.357 4.697 4.340 -0.000 0.000 0.264 443 L C -1.041 175.823 176.870 -0.010 0.000 0.984 443 L CA -0.964 53.886 54.840 0.018 0.000 0.819 443 L CB 2.117 44.175 42.059 -0.001 0.000 1.330 443 L HN 0.575 nan 8.230 nan 0.000 0.410 444 D N 1.893 122.289 120.400 -0.006 0.000 2.325 444 D HA 0.187 4.827 4.640 -0.000 0.000 0.251 444 D C -0.694 175.571 176.300 -0.059 0.000 1.196 444 D CA 0.168 54.168 54.000 0.001 0.000 0.866 444 D CB 1.683 42.500 40.800 0.029 0.000 1.101 444 D HN 0.392 nan 8.370 nan 0.000 0.476 445 C N 3.820 123.097 119.300 -0.038 0.000 2.441 445 C HA 0.319 4.779 4.460 -0.000 0.000 0.318 445 C C -0.463 174.536 174.990 0.015 0.000 1.222 445 C CA -0.617 58.345 59.018 -0.094 0.000 1.474 445 C CB 1.108 28.742 27.740 -0.177 0.000 2.125 445 C HN 0.508 nan 8.230 nan 0.000 0.479 446 Q N 4.254 124.037 119.800 -0.029 0.000 2.230 446 Q HA 0.786 5.126 4.340 -0.000 0.000 0.253 446 Q C -0.752 175.234 176.000 -0.024 0.000 0.919 446 Q CA -0.179 55.633 55.803 0.016 0.000 0.908 446 Q CB 1.740 30.464 28.738 -0.024 0.000 1.245 446 Q HN 0.822 nan 8.270 nan 0.000 0.437 447 I N -0.728 119.867 120.570 0.042 0.000 2.984 447 I HA 0.141 4.311 4.170 -0.000 0.000 0.303 447 I C -0.931 175.164 176.117 -0.037 0.000 1.381 447 I CA -1.258 59.943 61.300 -0.166 0.000 0.988 447 I CB 1.145 39.027 38.000 -0.197 0.000 1.307 447 I HN 0.611 nan 8.210 nan 0.000 0.460 448 Y N 3.552 123.899 120.300 0.079 0.000 2.935 448 Y HA -0.212 4.338 4.550 -0.000 0.000 0.218 448 Y C 1.528 177.471 175.900 0.071 0.000 1.121 448 Y CA 1.328 59.475 58.100 0.079 0.000 1.022 448 Y CB -1.843 36.662 38.460 0.075 0.000 1.179 448 Y HN 1.140 nan 8.280 nan 0.000 0.541 449 G N -1.521 107.321 108.800 0.071 0.000 3.909 449 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 449 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 449 G C 0.754 175.668 174.900 0.023 0.000 1.404 449 G CA 0.049 45.170 45.100 0.036 0.000 0.905 449 G HN 1.501 nan 8.290 nan 0.000 0.589 450 A N -0.212 122.632 122.820 0.041 0.000 2.521 450 A HA 0.425 4.745 4.320 -0.000 0.000 0.237 450 A C 0.942 178.457 177.584 -0.113 0.000 1.087 450 A CA 1.238 53.205 52.037 -0.117 0.000 0.777 450 A CB 0.202 18.999 19.000 -0.339 0.000 1.035 450 A HN 2.117 nan 8.150 nan 0.000 0.510 451 C N 2.149 121.304 119.300 -0.241 0.000 2.291 451 C HA 0.739 5.199 4.460 -0.000 0.000 0.322 451 C C -0.996 173.871 174.990 -0.205 0.000 1.205 451 C CA -0.985 57.967 59.018 -0.110 0.000 1.495 451 C CB -1.761 25.948 27.740 -0.052 0.000 2.127 451 C HN 0.596 nan 8.230 nan 0.000 0.452 452 Y N 2.851 123.140 120.300 -0.018 0.000 2.403 452 Y HA 0.495 5.045 4.550 -0.000 0.000 0.323 452 Y C 0.914 176.802 175.900 -0.020 0.000 1.226 452 Y CA -0.379 57.712 58.100 -0.016 0.000 1.235 452 Y CB 1.345 39.798 38.460 -0.012 0.000 1.248 452 Y HN 0.593 nan 8.280 nan 0.000 0.489 453 S N 3.065 118.852 115.700 0.145 0.000 2.488 453 S HA 0.518 4.988 4.470 -0.000 0.000 0.310 453 S C -0.803 173.847 174.600 0.083 0.000 1.093 453 S CA -0.505 57.745 58.200 0.082 0.000 1.129 453 S CB -0.964 62.269 63.200 0.055 0.000 0.989 453 S HN 0.514 nan 8.310 nan 0.000 0.479 454 I N 3.914 124.516 120.570 0.054 0.000 2.353 454 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 454 I C 0.261 176.397 176.117 0.032 0.000 0.992 454 I CA -0.522 60.797 61.300 0.033 0.000 1.268 454 I CB 1.538 39.531 38.000 -0.013 0.000 1.387 454 I HN 0.511 nan 8.210 nan 0.000 0.478 455 E N 7.680 127.906 120.200 0.044 0.000 2.081 455 E HA 0.183 4.533 4.350 -0.000 0.000 0.281 455 E C -1.749 174.890 176.600 0.064 0.000 0.986 455 E CA -1.590 54.839 56.400 0.048 0.000 0.796 455 E CB 1.260 30.988 29.700 0.046 0.000 1.085 455 E HN 0.351 nan 8.360 nan 0.000 0.398 456 P HA -0.239 nan 4.420 nan 0.000 0.218 456 P C 0.764 178.155 177.300 0.151 0.000 1.154 456 P CA 1.248 64.400 63.100 0.087 0.000 0.872 456 P CB 0.205 31.879 31.700 -0.044 0.000 0.790 457 L N -1.253 120.031 121.223 0.101 0.000 2.633 457 L HA -0.094 4.245 4.340 -0.000 0.000 0.235 457 L C 1.401 178.349 176.870 0.130 0.000 1.163 457 L CA 0.934 55.855 54.840 0.136 0.000 0.859 457 L CB -0.519 41.591 42.059 0.084 0.000 0.973 457 L HN 0.003 nan 8.230 nan 0.000 0.451 458 D N -0.785 119.688 120.400 0.122 0.000 2.379 458 D HA 0.066 4.706 4.640 -0.000 0.000 0.208 458 D C 2.196 178.562 176.300 0.110 0.000 1.065 458 D CA 0.109 54.163 54.000 0.089 0.000 0.848 458 D CB 0.546 41.383 40.800 0.060 0.000 0.949 458 D HN 0.254 nan 8.370 nan 0.000 0.509 459 L N 1.232 122.563 121.223 0.180 0.000 2.021 459 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 459 L C -0.519 176.468 176.870 0.196 0.000 1.074 459 L CA 1.702 56.661 54.840 0.198 0.000 0.760 459 L CB -1.557 40.684 42.059 0.304 0.000 0.889 459 L HN 0.042 nan 8.230 nan 0.000 0.433 460 P HA -0.211 nan 4.420 nan 0.000 0.214 460 P C 1.450 178.825 177.300 0.126 0.000 1.163 460 P CA 1.312 64.487 63.100 0.126 0.000 0.889 460 P CB 0.043 31.654 31.700 -0.149 0.000 0.790 461 Q N -0.932 118.886 119.800 0.030 0.000 2.096 461 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 461 Q C 2.153 178.183 176.000 0.049 0.000 0.982 461 Q CA 1.433 57.246 55.803 0.018 0.000 0.850 461 Q CB -0.976 27.760 28.738 -0.004 0.000 0.901 461 Q HN 0.277 nan 8.270 nan 0.000 0.422 462 I N -0.363 120.240 120.570 0.056 0.000 2.133 462 I HA -0.261 3.909 4.170 -0.000 0.000 0.238 462 I C 2.017 178.161 176.117 0.046 0.000 1.074 462 I CA 1.057 62.371 61.300 0.024 0.000 1.342 462 I CB -0.358 37.646 38.000 0.007 0.000 1.053 462 I HN 0.175 nan 8.210 nan 0.000 0.404 463 I N 0.644 121.284 120.570 0.117 0.000 2.194 463 I HA -0.364 3.806 4.170 -0.000 0.000 0.246 463 I C 2.671 178.849 176.117 0.100 0.000 1.093 463 I CA 1.689 63.073 61.300 0.141 0.000 1.355 463 I CB -0.476 37.576 38.000 0.087 0.000 1.046 463 I HN 0.382 nan 8.210 nan 0.000 0.413 464 E N 1.285 121.602 120.200 0.195 0.000 2.038 464 E HA -0.308 4.042 4.350 -0.000 0.000 0.195 464 E C 2.390 179.024 176.600 0.057 0.000 1.000 464 E CA 1.524 58.035 56.400 0.186 0.000 0.803 464 E CB -0.126 29.717 29.700 0.239 0.000 0.750 464 E HN 0.311 nan 8.360 nan 0.000 0.448 465 R N -0.054 120.458 120.500 0.020 0.000 2.159 465 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 465 R C 2.341 178.578 176.300 -0.106 0.000 1.131 465 R CA 1.062 57.142 56.100 -0.033 0.000 0.982 465 R CB -0.083 30.194 30.300 -0.038 0.000 0.868 465 R HN 0.224 nan 8.270 nan 0.000 0.453 466 L N -0.769 120.353 121.223 -0.169 0.000 2.168 466 L HA -0.020 4.320 4.340 -0.000 0.000 0.203 466 L C 1.645 178.170 176.870 -0.575 0.000 1.078 466 L CA 1.502 56.096 54.840 -0.409 0.000 0.780 466 L CB 0.025 41.755 42.059 -0.548 0.000 0.939 466 L HN 0.247 nan 8.230 nan 0.000 0.451 467 H N -2.602 116.411 119.070 -0.095 0.000 2.855 467 H HA 0.412 4.968 4.556 -0.000 0.000 0.259 467 H C 1.494 176.773 175.328 -0.083 0.000 0.972 467 H CA 0.821 56.807 56.048 -0.103 0.000 1.213 467 H CB 1.087 30.751 29.762 -0.163 0.000 1.451 467 H HN 0.337 nan 8.280 nan 0.000 0.484 468 G N 0.541 109.358 108.800 0.030 0.000 2.278 468 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.210 468 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.210 468 G C 0.751 175.709 174.900 0.096 0.000 1.000 468 G CA 0.196 45.324 45.100 0.046 0.000 0.635 468 G HN 0.382 nan 8.290 nan 0.000 0.495 469 L N -1.660 119.608 121.223 0.075 0.000 1.824 469 L HA -0.230 4.110 4.340 -0.000 0.000 0.499 469 L C 2.327 179.285 176.870 0.148 0.000 0.731 469 L CA 1.238 56.259 54.840 0.301 0.000 3.033 469 L CB -1.785 40.470 42.059 0.326 0.000 0.823 469 L HN 0.287 nan 8.230 nan 0.000 0.718 470 S N 0.705 116.434 115.700 0.048 0.000 2.392 470 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 470 S C 1.798 176.344 174.600 -0.089 0.000 1.041 470 S CA 1.954 60.158 58.200 0.006 0.000 1.026 470 S CB -0.355 62.834 63.200 -0.018 0.000 0.845 470 S HN 0.636 nan 8.310 nan 0.000 0.465 471 A N 0.248 122.920 122.820 -0.247 0.000 2.139 471 A HA -0.047 4.273 4.320 -0.000 0.000 0.221 471 A C 1.610 178.933 177.584 -0.435 0.000 1.159 471 A CA 1.195 52.968 52.037 -0.440 0.000 0.662 471 A CB -0.771 17.857 19.000 -0.620 0.000 0.796 471 A HN 0.585 nan 8.150 nan 0.000 0.463 472 F N -0.482 119.489 119.950 0.035 0.000 2.746 472 F HA 0.086 4.613 4.527 -0.000 0.000 0.297 472 F C 1.632 177.476 175.800 0.073 0.000 1.113 472 F CA 0.672 58.718 58.000 0.076 0.000 1.367 472 F CB 0.450 39.541 39.000 0.152 0.000 1.111 472 F HN 0.236 nan 8.300 nan 0.000 0.590 473 S N -0.111 115.698 115.700 0.182 0.000 2.835 473 S HA 0.383 4.853 4.470 -0.000 0.000 0.248 473 S C -0.350 174.321 174.600 0.117 0.000 1.070 473 S CA -0.496 57.785 58.200 0.136 0.000 1.090 473 S CB -0.732 62.535 63.200 0.111 0.000 0.978 473 S HN 0.039 nan 8.310 nan 0.000 0.510 474 L N 3.598 124.842 121.223 0.036 0.000 2.375 474 L HA 0.615 4.955 4.340 -0.000 0.000 0.271 474 L C 0.429 177.315 176.870 0.027 0.000 1.107 474 L CA -0.477 54.320 54.840 -0.072 0.000 0.806 474 L CB 0.639 42.485 42.059 -0.355 0.000 1.146 474 L HN 0.618 nan 8.230 nan 0.000 0.447 475 H N -0.306 118.596 119.070 -0.281 0.000 2.967 475 H HA 0.250 4.806 4.556 -0.000 0.000 0.318 475 H C -0.606 174.610 175.328 -0.186 0.000 1.375 475 H CA -1.137 54.821 56.048 -0.149 0.000 1.132 475 H CB 1.480 31.252 29.762 0.016 0.000 1.848 475 H HN 0.472 nan 8.280 nan 0.000 0.524 476 S N -0.088 115.578 115.700 -0.057 0.000 3.978 476 S HA -0.179 4.291 4.470 -0.000 0.000 0.402 476 S C -0.702 173.836 174.600 -0.103 0.000 0.927 476 S CA 0.154 58.335 58.200 -0.032 0.000 1.197 476 S CB -2.436 60.754 63.200 -0.017 0.000 0.855 476 S HN 0.518 nan 8.310 nan 0.000 0.524 477 Y N 2.255 122.540 120.300 -0.025 0.000 2.480 477 Y HA 0.285 4.835 4.550 -0.000 0.000 0.338 477 Y C 1.412 177.316 175.900 0.008 0.000 1.220 477 Y CA 0.380 58.471 58.100 -0.016 0.000 1.430 477 Y CB 0.424 38.882 38.460 -0.002 0.000 1.311 477 Y HN 0.548 nan 8.280 nan 0.000 0.575 478 S N 4.515 120.294 115.700 0.131 0.000 2.561 478 S HA -0.040 4.430 4.470 -0.000 0.000 0.294 478 S C -1.536 173.120 174.600 0.093 0.000 1.294 478 S CA -1.000 57.244 58.200 0.073 0.000 1.055 478 S CB 0.745 63.969 63.200 0.040 0.000 0.819 478 S HN 0.591 nan 8.310 nan 0.000 0.503 479 P HA -0.106 nan 4.420 nan 0.000 0.216 479 P C 1.638 178.968 177.300 0.050 0.000 1.150 479 P CA 1.957 65.092 63.100 0.059 0.000 0.843 479 P CB -0.604 31.123 31.700 0.044 0.000 0.787 480 G N 0.152 108.976 108.800 0.039 0.000 2.418 480 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 480 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 480 G C 1.695 176.613 174.900 0.031 0.000 1.158 480 G CA 0.902 46.017 45.100 0.026 0.000 0.771 480 G HN 0.283 nan 8.290 nan 0.000 0.545 481 E N 0.970 121.205 120.200 0.059 0.000 2.017 481 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 481 E C 2.478 179.116 176.600 0.062 0.000 0.997 481 E CA 0.972 57.422 56.400 0.083 0.000 0.804 481 E CB -0.501 29.308 29.700 0.182 0.000 0.757 481 E HN 0.475 nan 8.360 nan 0.000 0.448 482 I N 1.198 121.812 120.570 0.074 0.000 2.151 482 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 482 I C 2.570 178.702 176.117 0.025 0.000 1.080 482 I CA 1.452 62.777 61.300 0.041 0.000 1.339 482 I CB -0.696 37.343 38.000 0.065 0.000 1.039 482 I HN 0.282 nan 8.210 nan 0.000 0.409 483 N N 1.647 120.364 118.700 0.028 0.000 2.043 483 N HA -0.255 4.485 4.740 -0.000 0.000 0.193 483 N C 2.062 177.572 175.510 0.000 0.000 1.037 483 N CA 1.813 54.873 53.050 0.016 0.000 0.851 483 N CB -0.202 38.295 38.487 0.017 0.000 1.027 483 N HN 0.295 nan 8.380 nan 0.000 0.422 484 R N 0.494 120.989 120.500 -0.009 0.000 2.083 484 R HA -0.099 4.241 4.340 -0.000 0.000 0.237 484 R C 2.262 178.528 176.300 -0.057 0.000 1.137 484 R CA 1.621 57.700 56.100 -0.036 0.000 0.951 484 R CB -0.342 29.928 30.300 -0.050 0.000 0.851 484 R HN 0.059 nan 8.270 nan 0.000 0.434 485 V N 1.240 121.122 119.914 -0.052 0.000 2.219 485 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 485 V C 2.557 178.630 176.094 -0.035 0.000 1.053 485 V CA 2.136 64.395 62.300 -0.068 0.000 1.009 485 V CB -1.051 30.759 31.823 -0.021 0.000 0.636 485 V HN 0.629 nan 8.190 nan 0.000 0.445 486 A N -0.254 122.563 122.820 -0.005 0.000 1.903 486 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 486 A C 2.584 180.172 177.584 0.006 0.000 1.191 486 A CA 2.938 54.983 52.037 0.015 0.000 0.638 486 A CB -1.101 17.913 19.000 0.022 0.000 0.823 486 A HN 0.594 nan 8.150 nan 0.000 0.451 487 S N -1.158 114.539 115.700 -0.005 0.000 2.359 487 S HA -0.272 4.198 4.470 -0.000 0.000 0.222 487 S C 2.107 176.700 174.600 -0.012 0.000 1.038 487 S CA 1.899 60.096 58.200 -0.006 0.000 1.051 487 S CB -1.270 61.923 63.200 -0.012 0.000 0.944 487 S HN 0.877 nan 8.310 nan 0.000 0.433 488 C N 1.516 120.793 119.300 -0.038 0.000 2.391 488 C HA -0.102 4.358 4.460 -0.000 0.000 0.276 488 C C 2.618 177.591 174.990 -0.029 0.000 1.217 488 C CA 1.429 60.414 59.018 -0.054 0.000 1.766 488 C CB -1.886 25.782 27.740 -0.120 0.000 2.046 488 C HN 0.731 nan 8.230 nan 0.000 0.475 489 L N 0.189 121.403 121.223 -0.015 0.000 2.046 489 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 489 L C 2.991 179.862 176.870 0.002 0.000 1.077 489 L CA 1.883 56.730 54.840 0.012 0.000 0.747 489 L CB -0.834 41.258 42.059 0.056 0.000 0.896 489 L HN 0.396 nan 8.230 nan 0.000 0.432 490 R N 0.454 120.960 120.500 0.010 0.000 2.080 490 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 490 R C 2.329 178.656 176.300 0.044 0.000 1.137 490 R CA 1.662 57.770 56.100 0.015 0.000 0.943 490 R CB -0.440 29.877 30.300 0.029 0.000 0.846 490 R HN 0.273 nan 8.270 nan 0.000 0.431 491 K N 0.896 121.332 120.400 0.060 0.000 2.034 491 K HA -0.152 4.168 4.320 -0.000 0.000 0.214 491 K C 1.871 178.578 176.600 0.178 0.000 1.051 491 K CA 1.379 57.732 56.287 0.110 0.000 0.931 491 K CB -0.028 32.507 32.500 0.058 0.000 0.715 491 K HN 0.115 nan 8.250 nan 0.000 0.446 492 L N 0.119 121.381 121.223 0.066 0.000 2.552 492 L HA 0.035 4.375 4.340 -0.000 0.000 0.227 492 L C 0.977 177.753 176.870 -0.156 0.000 1.146 492 L CA 1.251 56.115 54.840 0.040 0.000 0.858 492 L CB -0.729 41.340 42.059 0.017 0.000 0.969 492 L HN 0.714 nan 8.230 nan 0.000 0.451 493 G N 1.329 109.912 108.800 -0.361 0.000 2.272 493 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.280 493 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.280 493 G C 0.124 174.871 174.900 -0.255 0.000 1.067 493 G CA 0.526 45.230 45.100 -0.659 0.000 0.902 493 G HN 0.324 nan 8.290 nan 0.000 0.500 494 V N -1.919 117.948 119.914 -0.080 0.000 2.732 494 V HA 0.912 5.032 4.120 -0.000 0.000 0.310 494 V C -1.812 174.343 176.094 0.101 0.000 1.053 494 V CA -2.535 59.806 62.300 0.070 0.000 0.957 494 V CB 1.811 33.738 31.823 0.174 0.000 1.018 494 V HN 0.079 nan 8.190 nan 0.000 0.452 495 P HA 0.157 nan 4.420 nan 0.000 0.264 495 P C -2.599 174.742 177.300 0.067 0.000 1.179 495 P CA -0.330 62.712 63.100 -0.096 0.000 0.763 495 P CB -0.231 31.148 31.700 -0.535 0.000 0.806 496 P HA 0.056 nan 4.420 nan 0.000 0.272 496 P C 0.901 178.308 177.300 0.180 0.000 1.223 496 P CA -0.071 63.080 63.100 0.085 0.000 0.784 496 P CB 0.817 32.526 31.700 0.014 0.000 0.923 497 L N 1.318 122.687 121.223 0.244 0.000 2.197 497 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 497 L C 2.810 179.834 176.870 0.258 0.000 1.095 497 L CA 1.940 56.959 54.840 0.297 0.000 0.764 497 L CB -0.733 41.423 42.059 0.162 0.000 0.897 497 L HN 0.513 nan 8.230 nan 0.000 0.436 498 R N -0.911 119.675 120.500 0.143 0.000 2.090 498 R HA -0.057 4.283 4.340 -0.000 0.000 0.228 498 R C 1.977 178.312 176.300 0.058 0.000 1.110 498 R CA 1.041 57.211 56.100 0.116 0.000 0.973 498 R CB -0.874 29.448 30.300 0.037 0.000 0.869 498 R HN 0.075 nan 8.270 nan 0.000 0.440 499 V N 0.605 120.473 119.914 -0.078 0.000 2.358 499 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 499 V C 1.884 177.900 176.094 -0.129 0.000 1.047 499 V CA 1.758 63.916 62.300 -0.237 0.000 1.035 499 V CB -0.659 30.913 31.823 -0.418 0.000 0.658 499 V HN 0.392 nan 8.190 nan 0.000 0.452 500 W N 0.041 121.434 121.300 0.154 0.000 2.374 500 W HA -0.114 4.546 4.660 -0.000 0.000 0.288 500 W C 2.724 179.450 176.519 0.346 0.000 1.218 500 W CA 1.326 58.811 57.345 0.234 0.000 1.245 500 W CB -0.252 29.341 29.460 0.222 0.000 1.126 500 W HN 0.049 nan 8.180 nan 0.000 0.545 501 R N -0.463 120.373 120.500 0.561 0.000 2.105 501 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 501 R C 1.801 178.299 176.300 0.332 0.000 1.135 501 R CA 1.854 58.273 56.100 0.532 0.000 0.967 501 R CB -0.375 30.203 30.300 0.465 0.000 0.861 501 R HN 0.230 nan 8.270 nan 0.000 0.442 502 H N -0.237 118.909 119.070 0.127 0.000 2.284 502 H HA 0.049 4.605 4.556 -0.000 0.000 0.304 502 H C 2.097 177.443 175.328 0.030 0.000 1.069 502 H CA 1.727 57.798 56.048 0.039 0.000 1.327 502 H CB -0.093 29.665 29.762 -0.007 0.000 1.387 502 H HN 0.114 nan 8.280 nan 0.000 0.498 503 R N 0.195 120.806 120.500 0.186 0.000 2.154 503 R HA -0.163 4.177 4.340 -0.000 0.000 0.248 503 R C 2.354 178.727 176.300 0.122 0.000 1.155 503 R CA 1.131 57.306 56.100 0.125 0.000 0.979 503 R CB -0.332 30.053 30.300 0.142 0.000 0.869 503 R HN 0.310 nan 8.270 nan 0.000 0.452 504 A N 1.003 123.946 122.820 0.204 0.000 1.898 504 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 504 A C 2.078 179.564 177.584 -0.163 0.000 1.181 504 A CA 1.024 53.118 52.037 0.095 0.000 0.620 504 A CB -0.371 18.751 19.000 0.204 0.000 0.819 504 A HN 0.194 nan 8.150 nan 0.000 0.442 505 R N 0.255 120.675 120.500 -0.133 0.000 2.113 505 R HA -0.197 4.143 4.340 -0.000 0.000 0.244 505 R C 2.705 178.900 176.300 -0.176 0.000 1.142 505 R CA 2.141 58.132 56.100 -0.182 0.000 0.953 505 R CB -0.389 29.799 30.300 -0.186 0.000 0.860 505 R HN 0.759 nan 8.270 nan 0.000 0.438 506 S N -0.076 115.542 115.700 -0.136 0.000 2.355 506 S HA -0.099 4.371 4.470 -0.000 0.000 0.222 506 S C 2.150 176.648 174.600 -0.169 0.000 1.031 506 S CA 1.339 59.465 58.200 -0.123 0.000 0.993 506 S CB -0.727 62.425 63.200 -0.080 0.000 0.859 506 S HN 0.094 nan 8.310 nan 0.000 0.453 507 V N 3.088 122.865 119.914 -0.228 0.000 2.278 507 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 507 V C 2.967 178.803 176.094 -0.430 0.000 1.062 507 V CA 2.421 64.512 62.300 -0.347 0.000 1.038 507 V CB -0.995 30.490 31.823 -0.563 0.000 0.646 507 V HN 0.562 nan 8.190 nan 0.000 0.447 508 R N -0.031 120.161 120.500 -0.513 0.000 2.117 508 R HA -0.210 4.130 4.340 -0.000 0.000 0.243 508 R C 2.189 178.380 176.300 -0.182 0.000 1.143 508 R CA 1.873 57.767 56.100 -0.343 0.000 0.968 508 R CB -0.352 29.798 30.300 -0.250 0.000 0.863 508 R HN 0.526 nan 8.270 nan 0.000 0.444 509 A N 0.676 123.399 122.820 -0.162 0.000 1.843 509 A HA 0.035 4.355 4.320 -0.000 0.000 0.213 509 A C 2.391 179.926 177.584 -0.081 0.000 1.202 509 A CA 1.279 53.253 52.037 -0.105 0.000 0.607 509 A CB -0.946 17.996 19.000 -0.097 0.000 0.847 509 A HN 0.485 nan 8.150 nan 0.000 0.445 510 A N -0.450 122.318 122.820 -0.086 0.000 1.958 510 A HA -0.147 4.173 4.320 -0.000 0.000 0.221 510 A C 2.204 179.765 177.584 -0.038 0.000 1.178 510 A CA 1.793 53.795 52.037 -0.058 0.000 0.642 510 A CB -0.631 18.333 19.000 -0.060 0.000 0.816 510 A HN 0.484 nan 8.150 nan 0.000 0.453 511 L N -1.204 119.991 121.223 -0.046 0.000 2.049 511 L HA -0.079 4.261 4.340 -0.000 0.000 0.203 511 L C 2.550 179.427 176.870 0.011 0.000 1.074 511 L CA 0.946 55.789 54.840 0.005 0.000 0.749 511 L CB -0.417 41.663 42.059 0.035 0.000 0.907 511 L HN 0.359 nan 8.230 nan 0.000 0.439 512 L N -0.354 120.862 121.223 -0.012 0.000 2.081 512 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 512 L C 2.709 179.576 176.870 -0.006 0.000 1.080 512 L CA 1.711 56.548 54.840 -0.006 0.000 0.754 512 L CB -0.494 41.548 42.059 -0.029 0.000 0.893 512 L HN 0.430 nan 8.230 nan 0.000 0.433 513 S N -1.698 113.993 115.700 -0.015 0.000 2.470 513 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 513 S C 1.722 176.319 174.600 -0.005 0.000 1.006 513 S CA 0.230 58.422 58.200 -0.013 0.000 0.934 513 S CB -0.170 63.017 63.200 -0.021 0.000 0.778 513 S HN 0.466 nan 8.310 nan 0.000 0.517 514 Q N 1.497 121.298 119.800 0.001 0.000 2.431 514 Q HA 0.380 4.720 4.340 -0.000 0.000 0.210 514 Q C 0.726 176.734 176.000 0.014 0.000 0.958 514 Q CA 0.306 56.113 55.803 0.006 0.000 0.957 514 Q CB -0.445 28.298 28.738 0.008 0.000 1.007 514 Q HN 0.745 nan 8.270 nan 0.000 0.511 515 G N -2.116 106.694 108.800 0.016 0.000 2.247 515 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.229 515 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.229 515 G C 0.148 175.064 174.900 0.026 0.000 1.345 515 G CA -0.352 44.760 45.100 0.020 0.000 1.100 515 G HN 0.228 nan 8.290 nan 0.000 0.473 516 G N -1.032 107.787 108.800 0.031 0.000 2.808 516 G HA2 0.268 4.228 3.960 -0.000 0.000 0.210 516 G HA3 0.268 4.228 3.960 -0.000 0.000 0.210 516 G C 1.521 176.450 174.900 0.049 0.000 1.177 516 G CA 1.126 46.247 45.100 0.035 0.000 0.853 516 G HN 0.556 nan 8.290 nan 0.000 0.625 517 R N 1.033 121.562 120.500 0.048 0.000 2.097 517 R HA -0.080 4.260 4.340 -0.000 0.000 0.236 517 R C 2.896 179.252 176.300 0.094 0.000 1.135 517 R CA 1.629 57.764 56.100 0.060 0.000 0.934 517 R CB -1.101 29.230 30.300 0.052 0.000 0.846 517 R HN 0.325 nan 8.270 nan 0.000 0.431 518 A N 1.086 123.961 122.820 0.092 0.000 1.978 518 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 518 A C 2.402 180.067 177.584 0.135 0.000 1.170 518 A CA 1.868 53.981 52.037 0.127 0.000 0.636 518 A CB -0.517 18.535 19.000 0.086 0.000 0.810 518 A HN 0.413 nan 8.150 nan 0.000 0.448 519 A N -1.101 121.774 122.820 0.092 0.000 1.877 519 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 519 A C 2.284 179.935 177.584 0.112 0.000 1.186 519 A CA 2.249 54.332 52.037 0.078 0.000 0.620 519 A CB -1.355 17.675 19.000 0.050 0.000 0.822 519 A HN 0.404 nan 8.150 nan 0.000 0.443 520 T N -0.692 113.936 114.554 0.124 0.000 2.737 520 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 520 T C 1.873 176.709 174.700 0.228 0.000 1.040 520 T CA 1.644 63.846 62.100 0.169 0.000 1.142 520 T CB -0.691 68.227 68.868 0.084 0.000 0.861 520 T HN 0.597 nan 8.240 nan 0.000 0.456 521 C N 0.992 120.426 119.300 0.224 0.000 2.462 521 C HA 0.075 4.535 4.460 -0.000 0.000 0.278 521 C C 3.106 178.267 174.990 0.285 0.000 1.253 521 C CA 0.434 59.625 59.018 0.288 0.000 1.713 521 C CB -1.481 26.560 27.740 0.502 0.000 2.049 521 C HN 0.710 nan 8.230 nan 0.000 0.477 522 G N 0.289 109.231 108.800 0.236 0.000 2.469 522 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 522 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 522 G C 1.635 176.597 174.900 0.104 0.000 1.150 522 G CA 1.355 46.550 45.100 0.158 0.000 0.763 522 G HN 0.658 nan 8.290 nan 0.000 0.561 523 K N -0.879 119.560 120.400 0.066 0.000 2.001 523 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 523 K C 2.236 178.700 176.600 -0.226 0.000 1.048 523 K CA 1.253 57.487 56.287 -0.088 0.000 0.932 523 K CB -0.268 32.174 32.500 -0.098 0.000 0.715 523 K HN 0.402 nan 8.250 nan 0.000 0.437 524 Y N 0.811 121.028 120.300 -0.137 0.000 2.177 524 Y HA -0.009 4.541 4.550 -0.000 0.000 0.291 524 Y C 2.103 177.985 175.900 -0.031 0.000 1.117 524 Y CA 0.889 58.804 58.100 -0.308 0.000 1.114 524 Y CB -0.268 37.692 38.460 -0.833 0.000 1.017 524 Y HN -0.063 nan 8.280 nan 0.000 0.505 525 L N -1.677 119.645 121.223 0.166 0.000 2.131 525 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 525 L C 0.815 177.542 176.870 -0.238 0.000 1.092 525 L CA 1.385 56.229 54.840 0.007 0.000 0.759 525 L CB -0.417 41.464 42.059 -0.297 0.000 0.903 525 L HN 0.177 nan 8.230 nan 0.000 0.435 526 F N -1.167 118.755 119.950 -0.047 0.000 2.735 526 F HA 0.166 4.693 4.527 -0.000 0.000 0.304 526 F C 1.823 177.323 175.800 -0.500 0.000 1.119 526 F CA -0.338 57.425 58.000 -0.396 0.000 1.280 526 F CB -0.472 38.308 39.000 -0.366 0.000 0.994 526 F HN 0.041 nan 8.300 nan 0.000 0.520 527 N N 1.506 120.140 118.700 -0.110 0.000 2.205 527 N HA -0.203 4.537 4.740 -0.000 0.000 0.186 527 N C 1.902 177.361 175.510 -0.085 0.000 1.015 527 N CA 1.951 54.940 53.050 -0.101 0.000 0.862 527 N CB -0.142 38.306 38.487 -0.066 0.000 0.986 527 N HN 0.604 nan 8.380 nan 0.000 0.429 528 W N 0.600 121.918 121.300 0.030 0.000 2.436 528 W HA 0.130 4.790 4.660 -0.000 0.000 0.284 528 W C 1.921 178.475 176.519 0.060 0.000 1.225 528 W CA 0.618 57.982 57.345 0.032 0.000 1.271 528 W CB -1.078 28.402 29.460 0.033 0.000 1.114 528 W HN 0.011 nan 8.180 nan 0.000 0.559 529 A N 1.542 123.728 122.820 -1.056 0.000 1.915 529 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 529 A C 1.196 178.618 177.584 -0.269 0.000 1.198 529 A CA 2.369 53.870 52.037 -0.894 0.000 0.647 529 A CB -1.078 17.426 19.000 -0.827 0.000 0.825 529 A HN 0.102 nan 8.150 nan 0.000 0.456 530 V N 0.235 120.031 119.914 -0.198 0.000 2.326 530 V HA 0.466 4.586 4.120 -0.000 0.000 0.281 530 V C -0.263 175.798 176.094 -0.054 0.000 1.015 530 V CA -0.889 61.348 62.300 -0.105 0.000 0.823 530 V CB 0.717 32.469 31.823 -0.118 0.000 1.009 530 V HN 0.638 nan 8.190 nan 0.000 0.436 531 K N 0.000 120.394 120.400 -0.011 0.000 2.780 531 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 531 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 531 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 531 K HN 0.000 nan 8.250 nan 0.000 0.543