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 3ln1_1_B DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.631 177.584 0.079 0.000 1.274 18 A CA 0.000 52.079 52.037 0.071 0.000 0.836 18 A CB 0.000 19.052 19.000 0.086 0.000 0.831 19 N N 2.591 121.328 118.700 0.061 0.000 2.315 19 N HA 0.041 4.782 4.740 0.001 0.000 0.270 19 N C -1.688 173.843 175.510 0.036 0.000 1.329 19 N CA -0.086 52.991 53.050 0.046 0.000 0.860 19 N CB 1.055 39.557 38.487 0.025 0.000 1.095 19 N HN 0.289 nan 8.380 nan 0.000 0.487 20 P HA 0.022 nan 4.420 nan 0.000 0.239 20 P C 0.481 177.755 177.300 -0.043 0.000 1.184 20 P CA 0.465 63.606 63.100 0.069 0.000 0.760 20 P CB 0.103 31.901 31.700 0.163 0.000 0.884 21 c N -1.815 116.743 118.600 -0.069 0.000 3.038 21 c HA 0.172 4.742 4.570 0.001 0.000 0.279 21 c C 2.467 176.475 174.090 -0.137 0.000 1.276 21 c CA -0.136 56.097 56.329 -0.160 0.000 1.697 21 c CB -1.854 40.599 42.510 -0.094 0.000 2.032 21 c HN 0.312 nan 8.230 nan 0.000 0.636 22 c N 1.779 120.329 118.600 -0.084 0.000 2.413 22 c HA -0.076 4.495 4.570 0.001 0.000 0.292 22 c C 2.696 176.740 174.090 -0.078 0.000 1.435 22 c CA 1.908 58.200 56.329 -0.061 0.000 1.791 22 c CB -1.597 40.898 42.510 -0.025 0.000 1.784 22 c HN 0.839 nan 8.230 nan 0.000 0.548 23 S N -0.568 115.061 115.700 -0.118 0.000 2.535 23 S HA 0.061 4.532 4.470 0.001 0.000 0.214 23 S C 0.443 174.961 174.600 -0.136 0.000 0.980 23 S CA 0.148 58.281 58.200 -0.111 0.000 0.907 23 S CB -0.317 62.816 63.200 -0.111 0.000 0.790 23 S HN 0.606 nan 8.310 nan 0.000 0.510 24 N N 1.509 120.108 118.700 -0.168 0.000 2.758 24 N HA -0.083 4.657 4.740 0.001 0.000 0.248 24 N C -2.199 173.197 175.510 -0.190 0.000 1.076 24 N CA 0.973 53.919 53.050 -0.173 0.000 0.696 24 N CB -1.854 36.544 38.487 -0.148 0.000 0.979 24 N HN 0.391 nan 8.380 nan 0.000 0.550 25 P HA -0.077 nan 4.420 nan 0.000 0.216 25 P C 0.389 177.594 177.300 -0.157 0.000 1.150 25 P CA 1.058 63.989 63.100 -0.280 0.000 0.843 25 P CB 0.185 31.460 31.700 -0.707 0.000 0.787 26 c N 1.697 120.208 118.600 -0.150 0.000 2.499 26 c HA 0.307 4.878 4.570 0.001 0.000 0.386 26 c C 0.706 174.733 174.090 -0.106 0.000 1.293 26 c CA -0.635 55.649 56.329 -0.075 0.000 1.884 26 c CB -0.496 41.990 42.510 -0.038 0.000 2.509 26 c HN 0.249 nan 8.230 nan 0.000 0.566 27 Q N 1.643 121.370 119.800 -0.122 0.000 2.286 27 Q HA 0.354 4.694 4.340 0.001 0.000 0.250 27 Q C 0.254 176.102 176.000 -0.253 0.000 1.021 27 Q CA -0.618 55.073 55.803 -0.186 0.000 0.930 27 Q CB 0.408 29.018 28.738 -0.213 0.000 1.266 27 Q HN 0.742 nan 8.270 nan 0.000 0.491 28 N N 0.960 119.465 118.700 -0.325 0.000 2.696 28 N HA -0.250 4.490 4.740 0.001 0.000 0.249 28 N C -0.398 175.006 175.510 -0.177 0.000 1.090 28 N CA 1.137 53.965 53.050 -0.370 0.000 0.716 28 N CB -0.398 37.553 38.487 -0.893 0.000 1.020 28 N HN 0.667 nan 8.380 nan 0.000 0.548 29 R N -4.414 116.010 120.500 -0.126 0.000 3.584 29 R HA -0.104 4.236 4.340 0.001 0.000 0.488 29 R C 0.881 177.166 176.300 -0.024 0.000 0.869 29 R CA 1.050 57.112 56.100 -0.063 0.000 1.325 29 R CB -2.117 28.161 30.300 -0.036 0.000 2.015 29 R HN 0.419 nan 8.270 nan 0.000 0.489 30 G N 1.683 110.463 108.800 -0.034 0.000 2.391 30 G HA2 0.153 4.114 3.960 0.001 0.000 0.234 30 G HA3 0.153 4.114 3.960 0.001 0.000 0.234 30 G C -0.012 174.897 174.900 0.015 0.000 1.284 30 G CA -0.051 45.053 45.100 0.006 0.000 0.873 30 G HN 0.205 nan 8.290 nan 0.000 0.549 31 E N 0.234 120.463 120.200 0.048 0.000 2.197 31 E HA 0.253 4.604 4.350 0.001 0.000 0.281 31 E C -0.504 176.133 176.600 0.063 0.000 0.995 31 E CA -0.586 55.853 56.400 0.065 0.000 0.808 31 E CB 1.786 31.549 29.700 0.105 0.000 1.093 31 E HN 0.395 nan 8.360 nan 0.000 0.394 32 c N 5.041 123.662 118.600 0.036 0.000 2.347 32 c HA 0.537 5.108 4.570 0.001 0.000 0.353 32 c C -0.211 173.917 174.090 0.063 0.000 1.273 32 c CA -0.344 56.006 56.329 0.036 0.000 1.861 32 c CB -0.683 41.789 42.510 -0.063 0.000 2.420 32 c HN 0.784 nan 8.230 nan 0.000 0.542 33 M N 5.814 125.472 119.600 0.097 0.000 2.393 33 M HA 0.432 4.912 4.480 0.001 0.000 0.299 33 M C -0.083 176.271 176.300 0.089 0.000 1.103 33 M CA -0.089 55.256 55.300 0.074 0.000 0.910 33 M CB 2.048 34.684 32.600 0.061 0.000 1.659 33 M HN 0.756 nan 8.290 nan 0.000 0.445 34 S N 2.353 118.080 115.700 0.045 0.000 2.499 34 S HA 0.394 4.865 4.470 0.001 0.000 0.275 34 S C 0.091 174.689 174.600 -0.004 0.000 1.257 34 S CA -0.210 58.013 58.200 0.039 0.000 1.050 34 S CB 0.332 63.528 63.200 -0.007 0.000 0.937 34 S HN 0.731 nan 8.310 nan 0.000 0.490 35 T N -0.009 114.548 114.554 0.005 0.000 3.390 35 T HA 0.667 5.018 4.350 0.001 0.000 0.315 35 T C 0.562 175.235 174.700 -0.046 0.000 1.799 35 T CA -0.165 61.917 62.100 -0.030 0.000 1.553 35 T CB -0.555 68.300 68.868 -0.023 0.000 1.002 35 T HN 1.852 nan 8.240 nan 0.000 0.715 36 G N 1.029 109.768 108.800 -0.103 0.000 2.570 36 G HA2 -0.035 3.925 3.960 0.001 0.000 0.686 36 G HA3 -0.035 3.925 3.960 0.001 0.000 0.686 36 G C -0.167 174.676 174.900 -0.096 0.000 1.257 36 G CA -0.765 44.264 45.100 -0.119 0.000 0.846 36 G HN 0.238 nan 8.290 nan 0.000 0.627 37 F N -0.078 119.884 119.950 0.020 0.000 2.333 37 F HA 0.065 4.592 4.527 0.001 0.000 0.300 37 F C 2.152 177.973 175.800 0.034 0.000 1.083 37 F CA 1.918 59.932 58.000 0.023 0.000 1.395 37 F CB 0.221 39.232 39.000 0.017 0.000 1.056 37 F HN 0.394 nan 8.300 nan 0.000 0.529 38 D N -1.859 118.665 120.400 0.208 0.000 2.514 38 D HA 0.114 4.754 4.640 0.001 0.000 0.225 38 D C 0.254 176.629 176.300 0.124 0.000 1.159 38 D CA 0.249 54.340 54.000 0.151 0.000 0.823 38 D CB 0.316 41.192 40.800 0.126 0.000 1.097 38 D HN 0.233 nan 8.370 nan 0.000 0.519 39 Q N -0.176 119.682 119.800 0.097 0.000 2.378 39 Q HA 0.582 4.923 4.340 0.001 0.000 0.276 39 Q C -0.923 175.147 176.000 0.115 0.000 1.083 39 Q CA -0.969 54.868 55.803 0.057 0.000 0.856 39 Q CB 2.164 30.886 28.738 -0.026 0.000 1.383 39 Q HN 0.138 nan 8.270 nan 0.000 0.458 40 Y N -2.034 118.269 120.300 0.006 0.000 2.655 40 Y HA 0.831 5.382 4.550 0.001 0.000 0.336 40 Y C -1.494 174.407 175.900 0.003 0.000 1.154 40 Y CA -1.345 56.755 58.100 -0.000 0.000 1.055 40 Y CB 1.578 40.038 38.460 0.001 0.000 1.295 40 Y HN 0.575 nan 8.280 nan 0.000 0.465 41 K N 0.902 121.420 120.400 0.196 0.000 2.523 41 K HA 0.743 5.064 4.320 0.001 0.000 0.257 41 K C -2.249 174.476 176.600 0.208 0.000 0.932 41 K CA -0.378 55.966 56.287 0.095 0.000 0.812 41 K CB 1.949 34.459 32.500 0.016 0.000 1.326 41 K HN 0.947 nan 8.250 nan 0.000 0.433 42 c N 2.668 121.374 118.600 0.176 0.000 2.295 42 c HA 0.410 4.980 4.570 0.001 0.000 0.331 42 c C -0.750 173.398 174.090 0.097 0.000 1.280 42 c CA -0.682 55.734 56.329 0.145 0.000 1.746 42 c CB 0.478 43.077 42.510 0.148 0.000 2.328 42 c HN 0.790 nan 8.230 nan 0.000 0.521 43 D N 1.751 122.201 120.400 0.083 0.000 2.347 43 D HA 0.231 4.872 4.640 0.001 0.000 0.235 43 D C 0.290 176.634 176.300 0.073 0.000 1.149 43 D CA -0.268 53.775 54.000 0.071 0.000 0.850 43 D CB 0.843 41.681 40.800 0.062 0.000 1.061 43 D HN 0.655 nan 8.370 nan 0.000 0.487 44 c N 2.652 121.303 118.600 0.086 0.000 2.906 44 c HA 0.157 4.727 4.570 0.001 0.000 0.274 44 c C 0.741 174.892 174.090 0.102 0.000 1.257 44 c CA -0.357 56.035 56.329 0.105 0.000 1.695 44 c CB -1.342 41.258 42.510 0.149 0.000 1.958 44 c HN 0.578 nan 8.230 nan 0.000 0.619 45 T N 1.990 116.590 114.554 0.076 0.000 2.718 45 T HA -0.059 4.291 4.350 0.001 0.000 0.265 45 T C 1.006 175.745 174.700 0.066 0.000 1.014 45 T CA 0.890 63.028 62.100 0.062 0.000 1.172 45 T CB -0.129 68.764 68.868 0.043 0.000 1.007 45 T HN 0.654 nan 8.240 nan 0.000 0.500 46 R N -0.009 120.531 120.500 0.068 0.000 4.000 46 R HA -0.247 4.094 4.340 0.001 0.000 0.362 46 R C 1.824 178.175 176.300 0.085 0.000 1.183 46 R CA 1.363 57.501 56.100 0.062 0.000 1.011 46 R CB -2.280 28.045 30.300 0.041 0.000 1.501 46 R HN 0.946 nan 8.270 nan 0.000 0.553 47 T N -4.552 110.076 114.554 0.123 0.000 2.985 47 T HA 0.159 4.510 4.350 0.001 0.000 0.266 47 T C 1.548 176.413 174.700 0.275 0.000 1.076 47 T CA 1.229 63.434 62.100 0.176 0.000 1.135 47 T CB 0.504 69.482 68.868 0.183 0.000 0.890 47 T HN 0.696 nan 8.240 nan 0.000 0.480 48 G N 0.514 109.439 108.800 0.207 0.000 2.176 48 G HA2 -0.113 3.848 3.960 0.001 0.000 0.232 48 G HA3 -0.113 3.848 3.960 0.001 0.000 0.232 48 G C -0.142 174.710 174.900 -0.079 0.000 0.986 48 G CA -0.103 45.039 45.100 0.069 0.000 0.643 48 G HN 0.544 nan 8.290 nan 0.000 0.522 49 F N -0.264 119.716 119.950 0.051 0.000 2.620 49 F HA 0.821 5.348 4.527 0.001 0.000 0.320 49 F C 0.326 176.190 175.800 0.107 0.000 1.069 49 F CA -1.271 56.732 58.000 0.004 0.000 0.953 49 F CB 1.337 40.303 39.000 -0.056 0.000 1.322 49 F HN 0.242 nan 8.300 nan 0.000 0.479 50 Y N -1.109 119.316 120.300 0.207 0.000 2.876 50 Y HA 0.951 5.502 4.550 0.001 0.000 0.317 50 Y C 0.091 176.062 175.900 0.119 0.000 1.369 50 Y CA -1.792 56.385 58.100 0.127 0.000 1.101 50 Y CB 1.045 39.550 38.460 0.074 0.000 1.346 50 Y HN 1.032 nan 8.280 nan 0.000 0.505 51 G N 0.050 109.025 108.800 0.291 0.000 2.612 51 G HA2 -0.190 3.771 3.960 0.001 0.000 0.686 51 G HA3 -0.190 3.771 3.960 0.001 0.000 0.686 51 G C 0.137 175.104 174.900 0.113 0.000 1.274 51 G CA -0.150 45.045 45.100 0.157 0.000 0.849 51 G HN 1.090 nan 8.290 nan 0.000 0.595 52 E N -0.372 119.876 120.200 0.079 0.000 2.171 52 E HA -0.171 4.179 4.350 0.001 0.000 0.197 52 E C 1.333 177.999 176.600 0.109 0.000 0.997 52 E CA 1.576 58.011 56.400 0.058 0.000 0.810 52 E CB -0.055 29.658 29.700 0.020 0.000 0.738 52 E HN 0.395 nan 8.360 nan 0.000 0.467 53 N N -1.039 117.720 118.700 0.099 0.000 2.197 53 N HA 0.077 4.817 4.740 0.001 0.000 0.228 53 N C -0.617 174.909 175.510 0.027 0.000 1.212 53 N CA 0.358 53.464 53.050 0.094 0.000 0.883 53 N CB 0.684 39.215 38.487 0.074 0.000 1.107 53 N HN 0.092 nan 8.380 nan 0.000 0.519 54 c N 1.004 119.632 118.600 0.047 0.000 4.300 54 c HA -0.117 4.453 4.570 0.001 0.000 0.304 54 c C 1.738 175.791 174.090 -0.062 0.000 1.367 54 c CA 1.148 57.499 56.329 0.037 0.000 2.032 54 c CB -3.099 39.414 42.510 0.005 0.000 1.285 54 c HN 0.576 nan 8.230 nan 0.000 0.737 55 T N -4.946 109.605 114.554 -0.004 0.000 2.985 55 T HA 0.161 4.511 4.350 0.001 0.000 0.254 55 T C 0.336 175.135 174.700 0.165 0.000 1.021 55 T CA 0.570 62.670 62.100 -0.000 0.000 0.957 55 T CB 0.225 69.076 68.868 -0.027 0.000 1.047 55 T HN 0.541 nan 8.240 nan 0.000 0.511 56 T N 5.686 120.246 114.554 0.011 0.000 2.728 56 T HA 0.416 4.766 4.350 0.001 0.000 0.296 56 T C -2.682 171.789 174.700 -0.382 0.000 0.940 56 T CA -1.228 60.729 62.100 -0.238 0.000 1.013 56 T CB 1.262 69.786 68.868 -0.574 0.000 0.912 56 T HN 0.200 nan 8.240 nan 0.000 0.484 57 P HA 0.267 nan 4.420 nan 0.000 0.278 57 P C -0.234 176.861 177.300 -0.341 0.000 1.238 57 P CA -0.526 62.177 63.100 -0.662 0.000 0.794 57 P CB 1.046 32.420 31.700 -0.543 0.000 0.955 58 E N 0.810 120.862 120.200 -0.247 0.000 2.373 58 E HA 0.063 4.413 4.350 0.001 0.000 0.263 58 E C 0.769 177.380 176.600 0.018 0.000 1.073 58 E CA -0.415 56.025 56.400 0.067 0.000 0.894 58 E CB 0.196 29.948 29.700 0.087 0.000 1.008 58 E HN 0.356 nan 8.360 nan 0.000 0.420 59 F N 2.493 122.433 119.950 -0.017 0.000 2.043 59 F HA -0.278 4.250 4.527 0.001 0.000 0.297 59 F C 1.800 177.564 175.800 -0.061 0.000 1.118 59 F CA 1.753 59.732 58.000 -0.035 0.000 1.202 59 F CB -0.378 38.614 39.000 -0.014 0.000 0.965 59 F HN 0.489 nan 8.300 nan 0.000 0.482 60 L N 0.221 121.324 121.223 -0.200 0.000 2.187 60 L HA -0.174 4.166 4.340 0.001 0.000 0.213 60 L C 2.080 178.774 176.870 -0.294 0.000 1.100 60 L CA 2.534 57.186 54.840 -0.312 0.000 0.765 60 L CB -1.421 40.565 42.059 -0.122 0.000 0.904 60 L HN 0.261 nan 8.230 nan 0.000 0.437 61 T N -0.217 114.183 114.554 -0.256 0.000 2.904 61 T HA -0.100 4.250 4.350 0.001 0.000 0.267 61 T C 1.857 176.393 174.700 -0.273 0.000 1.059 61 T CA 1.436 63.363 62.100 -0.289 0.000 1.137 61 T CB -0.153 68.428 68.868 -0.478 0.000 0.879 61 T HN 0.477 nan 8.240 nan 0.000 0.467 62 R N 0.459 120.794 120.500 -0.274 0.000 2.090 62 R HA 0.056 4.397 4.340 0.001 0.000 0.228 62 R C 2.146 178.325 176.300 -0.203 0.000 1.110 62 R CA 0.893 56.871 56.100 -0.205 0.000 0.973 62 R CB -0.636 29.574 30.300 -0.149 0.000 0.869 62 R HN 0.302 nan 8.270 nan 0.000 0.440 63 I N 1.936 122.325 120.570 -0.302 0.000 2.099 63 I HA -0.298 3.873 4.170 0.001 0.000 0.239 63 I C 2.234 178.254 176.117 -0.161 0.000 1.066 63 I CA 1.715 62.866 61.300 -0.249 0.000 1.324 63 I CB -0.354 37.457 38.000 -0.315 0.000 1.037 63 I HN 0.039 nan 8.210 nan 0.000 0.401 64 K N 0.170 120.472 120.400 -0.163 0.000 2.074 64 K HA -0.159 4.161 4.320 0.001 0.000 0.209 64 K C 2.033 178.587 176.600 -0.078 0.000 1.048 64 K CA 1.395 57.614 56.287 -0.114 0.000 0.926 64 K CB -0.446 31.983 32.500 -0.120 0.000 0.713 64 K HN 0.304 nan 8.250 nan 0.000 0.444 65 L N 0.517 121.693 121.223 -0.079 0.000 2.456 65 L HA -0.138 4.203 4.340 0.001 0.000 0.224 65 L C 1.698 178.550 176.870 -0.030 0.000 1.148 65 L CA 0.364 55.183 54.840 -0.034 0.000 0.825 65 L CB -0.098 41.949 42.059 -0.020 0.000 0.937 65 L HN 0.144 nan 8.230 nan 0.000 0.450 66 L N -1.460 119.733 121.223 -0.050 0.000 2.470 66 L HA 0.028 4.368 4.340 0.001 0.000 0.219 66 L C 1.365 178.213 176.870 -0.037 0.000 1.071 66 L CA 0.863 55.679 54.840 -0.039 0.000 0.850 66 L CB 0.007 42.038 42.059 -0.047 0.000 1.040 66 L HN 0.085 nan 8.230 nan 0.000 0.475 67 L N -0.437 120.757 121.223 -0.048 0.000 2.653 67 L HA 0.187 4.528 4.340 0.001 0.000 0.232 67 L C 0.635 177.488 176.870 -0.028 0.000 1.169 67 L CA 0.364 55.178 54.840 -0.042 0.000 0.951 67 L CB -0.817 41.208 42.059 -0.056 0.000 1.181 67 L HN 0.026 nan 8.230 nan 0.000 0.460 68 K N 2.252 122.643 120.400 -0.015 0.000 2.367 68 K HA 0.396 4.716 4.320 0.001 0.000 0.263 68 K C -2.335 174.278 176.600 0.022 0.000 1.000 68 K CA -1.533 54.760 56.287 0.009 0.000 0.891 68 K CB 1.399 33.907 32.500 0.013 0.000 1.117 68 K HN -0.081 nan 8.250 nan 0.000 0.443 69 P HA 0.027 nan 4.420 nan 0.000 0.272 69 P C -0.328 177.009 177.300 0.062 0.000 1.223 69 P CA -0.261 62.864 63.100 0.042 0.000 0.784 69 P CB 0.708 32.437 31.700 0.049 0.000 0.923 70 T N -0.986 113.603 114.554 0.057 0.000 2.898 70 T HA 0.166 4.516 4.350 0.001 0.000 0.301 70 T C -1.758 173.000 174.700 0.096 0.000 1.049 70 T CA -1.265 60.873 62.100 0.065 0.000 1.095 70 T CB 0.023 68.919 68.868 0.048 0.000 0.976 70 T HN 0.169 nan 8.240 nan 0.000 0.539 71 P HA -0.077 nan 4.420 nan 0.000 0.218 71 P C 1.426 178.823 177.300 0.162 0.000 1.148 71 P CA 0.831 64.008 63.100 0.129 0.000 0.822 71 P CB -0.002 31.759 31.700 0.101 0.000 0.784 72 N N -1.393 117.387 118.700 0.133 0.000 2.244 72 N HA -0.077 4.663 4.740 0.001 0.000 0.183 72 N C 1.609 177.247 175.510 0.212 0.000 1.016 72 N CA 1.354 54.505 53.050 0.167 0.000 0.866 72 N CB -0.884 37.670 38.487 0.113 0.000 0.980 72 N HN 0.169 nan 8.380 nan 0.000 0.430 73 T N 1.019 115.666 114.554 0.155 0.000 2.701 73 T HA -0.034 4.316 4.350 0.001 0.000 0.263 73 T C 2.218 177.059 174.700 0.235 0.000 1.040 73 T CA 0.829 63.022 62.100 0.154 0.000 1.147 73 T CB -0.324 68.595 68.868 0.085 0.000 0.865 73 T HN -0.060 nan 8.240 nan 0.000 0.426 74 V N 1.497 121.530 119.914 0.199 0.000 2.287 74 V HA -0.247 3.874 4.120 0.001 0.000 0.248 74 V C 2.388 178.599 176.094 0.195 0.000 1.053 74 V CA 1.897 64.310 62.300 0.189 0.000 1.027 74 V CB -0.780 31.151 31.823 0.180 0.000 0.646 74 V HN 0.650 nan 8.190 nan 0.000 0.447 75 H N -1.316 117.846 119.070 0.153 0.000 2.387 75 H HA -0.259 4.297 4.556 0.001 0.000 0.299 75 H C 2.308 177.757 175.328 0.201 0.000 1.099 75 H CA 2.413 58.553 56.048 0.153 0.000 1.315 75 H CB -0.109 29.772 29.762 0.199 0.000 1.380 75 H HN 0.556 nan 8.280 nan 0.000 0.513 76 Y N 1.215 121.612 120.300 0.162 0.000 2.165 76 Y HA -0.190 4.360 4.550 0.001 0.000 0.286 76 Y C 2.544 178.619 175.900 0.292 0.000 1.155 76 Y CA 1.851 60.061 58.100 0.182 0.000 1.164 76 Y CB -0.382 38.134 38.460 0.093 0.000 0.978 76 Y HN 0.139 nan 8.280 nan 0.000 0.513 77 I N -0.742 120.062 120.570 0.390 0.000 2.439 77 I HA -0.242 3.928 4.170 0.001 0.000 0.251 77 I C 1.656 178.059 176.117 0.477 0.000 1.139 77 I CA 0.432 62.033 61.300 0.501 0.000 1.438 77 I CB -0.290 37.930 38.000 0.367 0.000 1.085 77 I HN 0.242 nan 8.210 nan 0.000 0.427 78 L N 0.517 121.761 121.223 0.035 0.000 2.291 78 L HA -0.066 4.275 4.340 0.001 0.000 0.214 78 L C 2.264 178.883 176.870 -0.418 0.000 1.120 78 L CA 1.884 56.451 54.840 -0.454 0.000 0.799 78 L CB -1.367 39.987 42.059 -1.174 0.000 0.925 78 L HN 0.396 nan 8.230 nan 0.000 0.446 79 T N -5.366 109.030 114.554 -0.264 0.000 3.129 79 T HA 0.232 4.583 4.350 0.001 0.000 0.267 79 T C 0.490 174.958 174.700 -0.387 0.000 1.018 79 T CA -0.261 61.565 62.100 -0.458 0.000 0.903 79 T CB 0.041 68.562 68.868 -0.579 0.000 1.067 79 T HN 0.195 nan 8.240 nan 0.000 0.549 80 H N -0.506 118.572 119.070 0.014 0.000 3.196 80 H HA 0.614 5.170 4.556 0.001 0.000 0.303 80 H C -0.472 175.027 175.328 0.286 0.000 1.605 80 H CA -1.789 54.206 56.048 -0.088 0.000 1.351 80 H CB 0.237 29.494 29.762 -0.842 0.000 1.860 80 H HN 0.028 nan 8.280 nan 0.000 0.697 81 F N -0.550 119.540 119.950 0.233 0.000 3.027 81 F HA -0.271 4.257 4.527 0.001 0.000 0.276 81 F C 1.652 177.501 175.800 0.081 0.000 0.967 81 F CA 0.736 58.791 58.000 0.090 0.000 0.929 81 F CB -1.174 37.816 39.000 -0.017 0.000 0.873 81 F HN 0.514 nan 8.300 nan 0.000 0.787 82 K N 1.062 121.472 120.400 0.017 0.000 2.173 82 K HA -0.174 4.146 4.320 0.001 0.000 0.207 82 K C 2.235 178.824 176.600 -0.019 0.000 1.046 82 K CA 1.801 57.936 56.287 -0.254 0.000 0.929 82 K CB -0.537 31.630 32.500 -0.555 0.000 0.720 82 K HN 0.580 nan 8.250 nan 0.000 0.453 83 G N -0.013 108.793 108.800 0.010 0.000 2.402 83 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 83 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 83 G C 1.439 176.348 174.900 0.016 0.000 1.162 83 G CA 0.842 45.951 45.100 0.016 0.000 0.777 83 G HN 0.202 nan 8.290 nan 0.000 0.539 84 V N -0.328 119.573 119.914 -0.021 0.000 2.358 84 V HA -0.156 3.964 4.120 0.001 0.000 0.246 84 V C 2.426 178.431 176.094 -0.150 0.000 1.047 84 V CA 1.633 63.839 62.300 -0.157 0.000 1.035 84 V CB -0.750 30.860 31.823 -0.355 0.000 0.658 84 V HN 0.584 nan 8.190 nan 0.000 0.452 85 W N 0.291 121.638 121.300 0.078 0.000 2.374 85 W HA -0.143 4.518 4.660 0.001 0.000 0.288 85 W C 2.435 179.013 176.519 0.099 0.000 1.218 85 W CA 1.292 58.710 57.345 0.121 0.000 1.245 85 W CB -0.534 29.041 29.460 0.191 0.000 1.126 85 W HN 0.256 nan 8.180 nan 0.000 0.545 86 N N 0.550 119.396 118.700 0.243 0.000 2.149 86 N HA -0.173 4.568 4.740 0.001 0.000 0.188 86 N C 1.486 177.067 175.510 0.118 0.000 1.019 86 N CA 1.640 54.780 53.050 0.149 0.000 0.857 86 N CB -0.275 38.260 38.487 0.080 0.000 0.997 86 N HN 0.063 nan 8.380 nan 0.000 0.426 87 I N -0.937 119.684 120.570 0.084 0.000 2.333 87 I HA -0.165 4.006 4.170 0.001 0.000 0.246 87 I C 1.836 178.002 176.117 0.081 0.000 1.106 87 I CA 0.474 61.807 61.300 0.056 0.000 1.411 87 I CB -0.098 37.906 38.000 0.008 0.000 1.082 87 I HN 0.000 nan 8.210 nan 0.000 0.420 88 V N 1.328 121.303 119.914 0.103 0.000 2.343 88 V HA -0.273 3.847 4.120 0.001 0.000 0.247 88 V C 2.007 178.240 176.094 0.232 0.000 1.051 88 V CA 1.791 64.182 62.300 0.152 0.000 1.036 88 V CB -0.837 31.108 31.823 0.204 0.000 0.654 88 V HN 0.462 nan 8.190 nan 0.000 0.451 89 N N 0.777 119.639 118.700 0.269 0.000 2.443 89 N HA -0.104 4.637 4.740 0.001 0.000 0.184 89 N C 1.264 176.851 175.510 0.128 0.000 1.037 89 N CA 0.933 54.104 53.050 0.202 0.000 0.896 89 N CB -0.309 38.274 38.487 0.161 0.000 0.959 89 N HN 0.530 nan 8.380 nan 0.000 0.442 90 N N -0.036 118.734 118.700 0.117 0.000 2.184 90 N HA 0.185 4.925 4.740 0.001 0.000 0.206 90 N C -0.263 175.303 175.510 0.093 0.000 1.151 90 N CA -0.002 53.102 53.050 0.090 0.000 0.878 90 N CB 1.375 39.906 38.487 0.073 0.000 1.014 90 N HN 0.195 nan 8.380 nan 0.000 0.512 91 I N 2.237 122.872 120.570 0.108 0.000 2.361 91 I HA 0.206 4.377 4.170 0.001 0.000 0.282 91 I C -1.524 174.676 176.117 0.139 0.000 1.075 91 I CA -1.881 59.493 61.300 0.124 0.000 1.205 91 I CB 1.749 39.822 38.000 0.121 0.000 1.406 91 I HN -0.315 nan 8.210 nan 0.000 0.481 92 P HA -0.272 nan 4.420 nan 0.000 0.218 92 P C 1.544 178.952 177.300 0.180 0.000 1.152 92 P CA 1.651 64.839 63.100 0.147 0.000 0.857 92 P CB 0.041 31.823 31.700 0.137 0.000 0.787 93 F N -1.062 118.934 119.950 0.075 0.000 2.456 93 F HA 0.003 4.530 4.527 0.001 0.000 0.298 93 F C 1.785 177.633 175.800 0.080 0.000 1.104 93 F CA 0.959 59.002 58.000 0.070 0.000 1.435 93 F CB -0.819 38.212 39.000 0.053 0.000 1.078 93 F HN -0.214 nan 8.300 nan 0.000 0.546 94 L N 0.159 121.123 121.223 -0.432 0.000 2.127 94 L HA -0.018 4.322 4.340 0.001 0.000 0.203 94 L C 2.833 179.635 176.870 -0.114 0.000 1.080 94 L CA 0.961 55.523 54.840 -0.463 0.000 0.768 94 L CB -0.520 41.404 42.059 -0.225 0.000 0.924 94 L HN 0.075 nan 8.230 nan 0.000 0.444 95 R N -0.528 120.024 120.500 0.087 0.000 2.103 95 R HA -0.192 4.148 4.340 0.001 0.000 0.242 95 R C 2.300 178.755 176.300 0.258 0.000 1.142 95 R CA 1.966 58.254 56.100 0.313 0.000 0.960 95 R CB -0.105 30.338 30.300 0.239 0.000 0.858 95 R HN 0.223 nan 8.270 nan 0.000 0.439 96 S N 0.756 116.522 115.700 0.111 0.000 2.368 96 S HA -0.088 4.383 4.470 0.001 0.000 0.224 96 S C 1.767 176.398 174.600 0.052 0.000 1.029 96 S CA 0.921 59.178 58.200 0.094 0.000 0.988 96 S CB -0.160 63.096 63.200 0.094 0.000 0.838 96 S HN 0.361 nan 8.310 nan 0.000 0.462 97 L N 1.154 122.342 121.223 -0.058 0.000 2.083 97 L HA -0.088 4.253 4.340 0.001 0.000 0.209 97 L C 1.781 178.640 176.870 -0.019 0.000 1.083 97 L CA 1.098 55.890 54.840 -0.079 0.000 0.752 97 L CB -0.202 41.699 42.059 -0.265 0.000 0.899 97 L HN 0.282 nan 8.230 nan 0.000 0.433 98 I N -0.934 119.615 120.570 -0.036 0.000 2.333 98 I HA -0.253 3.917 4.170 0.001 0.000 0.246 98 I C 2.450 178.585 176.117 0.029 0.000 1.106 98 I CA 1.191 62.421 61.300 -0.117 0.000 1.411 98 I CB -0.844 36.837 38.000 -0.531 0.000 1.082 98 I HN 0.389 nan 8.210 nan 0.000 0.420 99 M N 1.453 121.189 119.600 0.227 0.000 2.159 99 M HA -0.210 4.270 4.480 0.001 0.000 0.263 99 M C 2.219 178.606 176.300 0.144 0.000 1.063 99 M CA 1.786 57.272 55.300 0.310 0.000 1.110 99 M CB -0.593 32.204 32.600 0.329 0.000 1.374 99 M HN 0.104 nan 8.290 nan 0.000 0.411 100 K N -1.354 119.109 120.400 0.104 0.000 2.097 100 K HA -0.248 4.072 4.320 0.001 0.000 0.206 100 K C 2.109 178.751 176.600 0.070 0.000 1.049 100 K CA 1.742 58.062 56.287 0.055 0.000 0.933 100 K CB -0.581 31.951 32.500 0.053 0.000 0.717 100 K HN 0.516 nan 8.250 nan 0.000 0.442 101 Y N 1.094 121.392 120.300 -0.004 0.000 2.263 101 Y HA -0.143 4.407 4.550 0.001 0.000 0.292 101 Y C 1.869 177.782 175.900 0.023 0.000 1.130 101 Y CA 1.320 59.418 58.100 -0.004 0.000 1.179 101 Y CB -0.224 38.215 38.460 -0.035 0.000 0.998 101 Y HN -0.015 nan 8.280 nan 0.000 0.532 102 V N -1.061 118.756 119.914 -0.162 0.000 2.427 102 V HA -0.166 3.955 4.120 0.001 0.000 0.248 102 V C 1.997 178.011 176.094 -0.132 0.000 1.051 102 V CA 1.624 63.803 62.300 -0.201 0.000 1.048 102 V CB -0.880 30.990 31.823 0.078 0.000 0.666 102 V HN 0.363 nan 8.190 nan 0.000 0.456 103 L N 2.062 123.246 121.223 -0.064 0.000 1.976 103 L HA -0.084 4.256 4.340 0.001 0.000 0.209 103 L C 3.030 179.856 176.870 -0.074 0.000 1.071 103 L CA 2.984 57.786 54.840 -0.063 0.000 0.746 103 L CB -1.519 40.486 42.059 -0.091 0.000 0.890 103 L HN 0.715 nan 8.230 nan 0.000 0.432 104 T N -4.115 110.390 114.554 -0.080 0.000 2.985 104 T HA -0.088 4.262 4.350 0.001 0.000 0.266 104 T C 2.008 176.703 174.700 -0.008 0.000 1.076 104 T CA 0.910 63.000 62.100 -0.017 0.000 1.135 104 T CB -0.641 68.236 68.868 0.015 0.000 0.890 104 T HN 0.372 nan 8.240 nan 0.000 0.480 105 S N 1.769 117.378 115.700 -0.153 0.000 2.400 105 S HA -0.099 4.372 4.470 0.001 0.000 0.232 105 S C 2.186 176.850 174.600 0.105 0.000 1.025 105 S CA 0.797 58.930 58.200 -0.110 0.000 0.993 105 S CB -0.419 62.486 63.200 -0.492 0.000 0.808 105 S HN 0.410 nan 8.310 nan 0.000 0.478 106 R N 0.860 121.362 120.500 0.004 0.000 2.161 106 R HA 0.290 4.630 4.340 0.001 0.000 0.213 106 R C 2.643 178.900 176.300 -0.071 0.000 1.055 106 R CA 0.810 56.890 56.100 -0.034 0.000 0.996 106 R CB -0.653 29.616 30.300 -0.051 0.000 0.901 106 R HN 0.403 nan 8.270 nan 0.000 0.456 107 S N 0.181 115.909 115.700 0.047 0.000 2.381 107 S HA -0.272 4.199 4.470 0.001 0.000 0.230 107 S C 1.585 176.171 174.600 -0.023 0.000 1.052 107 S CA 1.993 60.231 58.200 0.065 0.000 1.068 107 S CB -0.437 62.867 63.200 0.172 0.000 0.918 107 S HN 0.621 nan 8.310 nan 0.000 0.448 108 Y N 0.028 120.299 120.300 -0.048 0.000 2.716 108 Y HA 0.121 4.672 4.550 0.001 0.000 0.302 108 Y C 1.422 177.249 175.900 -0.123 0.000 1.160 108 Y CA 0.329 58.387 58.100 -0.069 0.000 1.362 108 Y CB -0.175 38.256 38.460 -0.049 0.000 0.988 108 Y HN 0.141 nan 8.280 nan 0.000 0.546 109 L N 0.866 121.607 121.223 -0.804 0.000 2.567 109 L HA 0.191 4.531 4.340 0.001 0.000 0.225 109 L C 0.135 176.669 176.870 -0.561 0.000 1.119 109 L CA 0.159 54.481 54.840 -0.863 0.000 0.871 109 L CB -0.395 41.156 42.059 -0.846 0.000 1.036 109 L HN 0.277 nan 8.230 nan 0.000 0.459 110 I N 0.025 120.385 120.570 -0.349 0.000 2.433 110 I HA 0.237 4.407 4.170 0.001 0.000 0.292 110 I C -0.357 175.671 176.117 -0.148 0.000 1.001 110 I CA -0.995 60.172 61.300 -0.223 0.000 1.119 110 I CB 1.620 39.524 38.000 -0.160 0.000 1.289 110 I HN -0.115 nan 8.210 nan 0.000 0.438 111 D N 4.108 124.447 120.400 -0.102 0.000 2.343 111 D HA 0.254 4.895 4.640 0.001 0.000 0.255 111 D C 0.067 176.312 176.300 -0.092 0.000 1.187 111 D CA 0.453 54.397 54.000 -0.094 0.000 0.875 111 D CB 1.171 41.917 40.800 -0.089 0.000 1.136 111 D HN 0.401 nan 8.370 nan 0.000 0.469 112 S N 2.406 118.041 115.700 -0.109 0.000 2.689 112 S HA 0.391 4.862 4.470 0.001 0.000 0.274 112 S C -2.765 171.767 174.600 -0.113 0.000 1.176 112 S CA -1.267 56.862 58.200 -0.118 0.000 1.014 112 S CB 0.830 63.927 63.200 -0.171 0.000 1.071 112 S HN 0.011 nan 8.310 nan 0.000 0.478 113 P HA 0.175 nan 4.420 nan 0.000 0.266 113 P C -2.497 174.770 177.300 -0.055 0.000 1.186 113 P CA -0.602 62.478 63.100 -0.032 0.000 0.767 113 P CB -0.169 31.517 31.700 -0.024 0.000 0.820 114 P HA -0.011 nan 4.420 nan 0.000 0.270 114 P C 0.196 177.426 177.300 -0.116 0.000 1.223 114 P CA 0.105 63.156 63.100 -0.082 0.000 0.785 114 P CB 0.668 32.300 31.700 -0.114 0.000 0.923 115 T N -1.374 113.064 114.554 -0.193 0.000 3.479 115 T HA 0.199 4.549 4.350 0.001 0.000 0.197 115 T C 0.579 175.070 174.700 -0.349 0.000 0.912 115 T CA 0.139 62.011 62.100 -0.380 0.000 1.281 115 T CB -0.744 67.717 68.868 -0.678 0.000 1.588 115 T HN 0.263 nan 8.240 nan 0.000 0.389 116 Y N 3.341 123.595 120.300 -0.076 0.000 2.340 116 Y HA 0.631 5.181 4.550 0.001 0.000 0.327 116 Y C 0.784 176.611 175.900 -0.123 0.000 1.321 116 Y CA -0.561 57.482 58.100 -0.095 0.000 1.433 116 Y CB 0.668 39.092 38.460 -0.061 0.000 1.373 116 Y HN 0.775 nan 8.280 nan 0.000 0.538 117 N N -2.816 115.904 118.700 0.033 0.000 3.243 117 N HA 0.091 4.831 4.740 0.001 0.000 0.280 117 N C -0.327 175.118 175.510 -0.109 0.000 1.545 117 N CA -0.670 52.315 53.050 -0.109 0.000 0.854 117 N CB 0.521 38.770 38.487 -0.396 0.000 1.612 117 N HN 0.423 nan 8.380 nan 0.000 0.577 118 V N -0.139 119.683 119.914 -0.155 0.000 2.546 118 V HA -0.208 3.913 4.120 0.001 0.000 0.254 118 V C 1.118 177.186 176.094 -0.043 0.000 1.076 118 V CA 2.058 64.299 62.300 -0.100 0.000 1.087 118 V CB -0.927 30.791 31.823 -0.174 0.000 0.674 118 V HN 0.714 nan 8.190 nan 0.000 0.470 119 H N -3.217 115.766 119.070 -0.145 0.000 2.622 119 H HA 0.243 4.799 4.556 0.001 0.000 0.269 119 H C -0.531 174.401 175.328 -0.660 0.000 0.977 119 H CA -0.119 55.743 56.048 -0.310 0.000 1.179 119 H CB 0.467 30.061 29.762 -0.280 0.000 1.458 119 H HN 0.471 nan 8.280 nan 0.000 0.531 120 Y N -0.197 120.027 120.300 -0.127 0.000 2.332 120 Y HA 0.325 4.875 4.550 0.001 0.000 0.326 120 Y C 0.798 176.595 175.900 -0.172 0.000 0.978 120 Y CA -0.811 57.109 58.100 -0.300 0.000 1.205 120 Y CB 2.007 40.217 38.460 -0.418 0.000 1.131 120 Y HN 0.068 nan 8.280 nan 0.000 0.462 121 G N 2.417 111.178 108.800 -0.066 0.000 3.233 121 G HA2 0.157 4.117 3.960 0.001 0.000 0.234 121 G HA3 0.157 4.117 3.960 0.001 0.000 0.234 121 G C -0.571 174.443 174.900 0.191 0.000 1.137 121 G CA 0.121 45.200 45.100 -0.035 0.000 0.763 121 G HN 0.568 nan 8.290 nan 0.000 0.549 122 Y N -1.947 118.574 120.300 0.367 0.000 2.553 122 Y HA 0.698 5.248 4.550 0.001 0.000 0.347 122 Y C -0.183 175.894 175.900 0.294 0.000 1.019 122 Y CA -2.170 56.158 58.100 0.381 0.000 1.032 122 Y CB 0.991 39.578 38.460 0.211 0.000 1.284 122 Y HN -0.223 nan 8.280 nan 0.000 0.466 123 K N 2.188 122.703 120.400 0.192 0.000 2.489 123 K HA 0.424 4.744 4.320 0.001 0.000 0.278 123 K C -0.301 176.332 176.600 0.054 0.000 1.000 123 K CA 0.444 56.707 56.287 -0.040 0.000 1.012 123 K CB 0.437 32.882 32.500 -0.092 0.000 0.903 123 K HN 0.897 nan 8.250 nan 0.000 0.485 124 S N 1.054 116.681 115.700 -0.123 0.000 2.607 124 S HA 0.212 4.683 4.470 0.001 0.000 0.273 124 S C 0.026 174.580 174.600 -0.077 0.000 1.148 124 S CA -1.132 57.021 58.200 -0.077 0.000 0.833 124 S CB 0.683 63.684 63.200 -0.331 0.000 1.130 124 S HN 0.883 nan 8.310 nan 0.000 0.470 125 W N 1.091 122.339 121.300 -0.087 0.000 2.425 125 W HA -0.051 4.609 4.660 0.001 0.000 0.277 125 W C 1.470 177.971 176.519 -0.030 0.000 1.231 125 W CA 2.047 59.390 57.345 -0.003 0.000 1.248 125 W CB -0.074 29.397 29.460 0.019 0.000 1.117 125 W HN 1.031 nan 8.180 nan 0.000 0.568 126 E N 0.920 121.060 120.200 -0.100 0.000 2.072 126 E HA -0.139 4.211 4.350 0.001 0.000 0.191 126 E C 2.222 178.606 176.600 -0.361 0.000 0.985 126 E CA 2.259 58.547 56.400 -0.187 0.000 0.801 126 E CB -0.620 28.924 29.700 -0.260 0.000 0.750 126 E HN 0.078 nan 8.360 nan 0.000 0.452 127 A N -0.067 122.407 122.820 -0.577 0.000 1.898 127 A HA -0.087 4.233 4.320 0.001 0.000 0.216 127 A C 2.199 179.561 177.584 -0.370 0.000 1.181 127 A CA 1.355 53.090 52.037 -0.504 0.000 0.620 127 A CB -0.953 17.768 19.000 -0.466 0.000 0.819 127 A HN 0.479 nan 8.150 nan 0.000 0.442 128 F N 2.005 121.640 119.950 -0.525 0.000 2.146 128 F HA -0.151 4.377 4.527 0.001 0.000 0.298 128 F C 2.483 177.946 175.800 -0.562 0.000 1.096 128 F CA 2.113 59.771 58.000 -0.571 0.000 1.275 128 F CB -0.250 38.296 39.000 -0.757 0.000 1.008 128 F HN 0.274 nan 8.300 nan 0.000 0.480 129 S N -0.906 114.296 115.700 -0.829 0.000 2.503 129 S HA 0.029 4.499 4.470 0.001 0.000 0.217 129 S C 0.837 175.213 174.600 -0.375 0.000 0.999 129 S CA -0.111 57.633 58.200 -0.759 0.000 0.914 129 S CB -0.693 62.255 63.200 -0.419 0.000 0.782 129 S HN 0.361 nan 8.310 nan 0.000 0.520 130 N N 1.993 120.572 118.700 -0.202 0.000 2.415 130 N HA 0.252 4.993 4.740 0.001 0.000 0.246 130 N C 0.464 175.987 175.510 0.023 0.000 1.078 130 N CA -0.154 52.908 53.050 0.020 0.000 0.942 130 N CB 0.526 39.184 38.487 0.285 0.000 1.140 130 N HN 0.357 nan 8.380 nan 0.000 0.501 131 L N 1.696 122.902 121.223 -0.029 0.000 2.551 131 L HA -0.025 4.315 4.340 0.001 0.000 0.228 131 L C 1.651 178.606 176.870 0.142 0.000 1.153 131 L CA 0.414 55.264 54.840 0.016 0.000 0.851 131 L CB -0.016 42.042 42.059 -0.001 0.000 0.959 131 L HN 0.422 nan 8.230 nan 0.000 0.451 132 S N -1.616 114.118 115.700 0.057 0.000 2.527 132 S HA 0.028 4.498 4.470 0.001 0.000 0.222 132 S C 0.312 174.890 174.600 -0.037 0.000 0.985 132 S CA 0.146 58.340 58.200 -0.009 0.000 0.921 132 S CB -0.101 63.083 63.200 -0.025 0.000 0.772 132 S HN 0.228 nan 8.310 nan 0.000 0.529 133 Y N 0.629 120.908 120.300 -0.034 0.000 2.308 133 Y HA 0.327 4.877 4.550 0.001 0.000 0.329 133 Y C 0.051 175.880 175.900 -0.118 0.000 1.111 133 Y CA -1.085 56.880 58.100 -0.225 0.000 1.179 133 Y CB 0.418 38.743 38.460 -0.225 0.000 1.201 133 Y HN 0.058 nan 8.280 nan 0.000 0.483 134 Y N 1.280 121.631 120.300 0.084 0.000 2.497 134 Y HA 0.046 4.596 4.550 0.001 0.000 0.334 134 Y C 1.040 176.965 175.900 0.041 0.000 1.199 134 Y CA 0.117 58.276 58.100 0.099 0.000 1.425 134 Y CB 0.539 39.020 38.460 0.035 0.000 1.291 134 Y HN 0.539 nan 8.280 nan 0.000 0.562 135 T N 3.261 117.926 114.554 0.185 0.000 2.770 135 T HA 0.449 4.800 4.350 0.001 0.000 0.281 135 T C -0.364 174.386 174.700 0.082 0.000 0.981 135 T CA -0.697 61.440 62.100 0.061 0.000 0.955 135 T CB 0.356 69.224 68.868 -0.001 0.000 1.060 135 T HN 0.436 nan 8.240 nan 0.000 0.531 136 R N 0.821 121.375 120.500 0.089 0.000 2.532 136 R HA 0.538 4.878 4.340 0.001 0.000 0.297 136 R C 0.629 177.049 176.300 0.201 0.000 0.984 136 R CA -0.444 55.726 56.100 0.117 0.000 0.884 136 R CB 1.413 31.772 30.300 0.097 0.000 1.182 136 R HN 0.717 nan 8.270 nan 0.000 0.442 137 A N 3.689 126.668 122.820 0.266 0.000 1.969 137 A HA 0.100 4.420 4.320 0.001 0.000 0.218 137 A C 0.663 178.383 177.584 0.227 0.000 1.169 137 A CA 1.051 53.300 52.037 0.353 0.000 0.635 137 A CB 0.214 19.604 19.000 0.651 0.000 0.810 137 A HN 0.478 nan 8.150 nan 0.000 0.445 138 L N 0.294 121.604 121.223 0.145 0.000 2.408 138 L HA 0.367 4.707 4.340 0.001 0.000 0.268 138 L C -2.575 174.186 176.870 -0.180 0.000 0.986 138 L CA -2.529 52.241 54.840 -0.117 0.000 0.820 138 L CB 2.750 44.531 42.059 -0.464 0.000 1.303 138 L HN 0.000 nan 8.230 nan 0.000 0.411 139 P HA 0.128 nan 4.420 nan 0.000 0.269 139 P C -2.670 174.489 177.300 -0.235 0.000 1.215 139 P CA -1.130 61.681 63.100 -0.483 0.000 0.780 139 P CB -0.328 30.838 31.700 -0.891 0.000 0.898 140 P HA -0.014 nan 4.420 nan 0.000 0.269 140 P C -0.192 177.074 177.300 -0.057 0.000 1.215 140 P CA 0.090 63.168 63.100 -0.038 0.000 0.780 140 P CB 0.247 31.953 31.700 0.010 0.000 0.898 141 V N 1.899 121.806 119.914 -0.012 0.000 2.529 141 V HA 0.137 4.258 4.120 0.001 0.000 0.292 141 V C 1.245 177.340 176.094 0.002 0.000 1.028 141 V CA -0.168 62.124 62.300 -0.013 0.000 1.074 141 V CB -0.293 31.538 31.823 0.014 0.000 0.958 141 V HN 0.747 nan 8.190 nan 0.000 0.481 142 A N 3.941 126.758 122.820 -0.005 0.000 2.586 142 A HA 0.012 4.332 4.320 0.001 0.000 0.231 142 A C 1.228 178.825 177.584 0.022 0.000 1.055 142 A CA -0.068 51.977 52.037 0.013 0.000 0.756 142 A CB -0.108 18.902 19.000 0.016 0.000 0.988 142 A HN 0.905 nan 8.150 nan 0.000 0.509 143 D N 0.284 120.700 120.400 0.027 0.000 2.263 143 D HA -0.110 4.531 4.640 0.001 0.000 0.208 143 D C 0.890 177.208 176.300 0.029 0.000 0.971 143 D CA 1.850 55.867 54.000 0.029 0.000 0.867 143 D CB 0.108 40.923 40.800 0.025 0.000 0.929 143 D HN 0.749 nan 8.370 nan 0.000 0.492 144 D N -0.620 119.798 120.400 0.029 0.000 2.463 144 D HA -0.002 4.638 4.640 0.001 0.000 0.224 144 D C -0.209 176.108 176.300 0.029 0.000 1.174 144 D CA -0.410 53.609 54.000 0.031 0.000 0.829 144 D CB -0.938 39.885 40.800 0.038 0.000 0.993 144 D HN -0.036 nan 8.370 nan 0.000 0.497 145 c N 2.148 120.763 118.600 0.024 0.000 2.605 145 c HA 0.230 4.800 4.570 0.001 0.000 0.404 145 c C -0.342 173.761 174.090 0.023 0.000 1.284 145 c CA -0.947 55.393 56.329 0.019 0.000 2.199 145 c CB 1.401 43.918 42.510 0.012 0.000 2.647 145 c HN 0.302 nan 8.230 nan 0.000 0.604 146 P HA -0.016 nan 4.420 nan 0.000 0.223 146 P C 0.416 177.731 177.300 0.025 0.000 1.151 146 P CA 1.331 64.444 63.100 0.023 0.000 0.787 146 P CB -0.038 31.675 31.700 0.021 0.000 0.788 147 T N -5.710 108.860 114.554 0.027 0.000 2.907 147 T HA 0.487 4.837 4.350 0.001 0.000 0.290 147 T C -2.442 172.282 174.700 0.039 0.000 1.066 147 T CA -2.111 60.009 62.100 0.034 0.000 1.012 147 T CB 1.976 70.867 68.868 0.038 0.000 1.184 147 T HN -0.343 nan 8.240 nan 0.000 0.522 148 P HA 0.083 nan 4.420 nan 0.000 0.219 148 P C 1.304 178.643 177.300 0.066 0.000 1.150 148 P CA 0.824 63.960 63.100 0.061 0.000 0.814 148 P CB 0.042 31.786 31.700 0.072 0.000 0.787 149 M N -2.040 117.600 119.600 0.066 0.000 2.495 149 M HA 0.282 4.763 4.480 0.001 0.000 0.237 149 M C 1.275 177.589 176.300 0.023 0.000 1.131 149 M CA 0.521 55.855 55.300 0.058 0.000 1.032 149 M CB -0.697 31.945 32.600 0.070 0.000 1.513 149 M HN 0.081 nan 8.290 nan 0.000 0.488 150 G N 0.351 109.162 108.800 0.018 0.000 2.130 150 G HA2 -0.224 3.737 3.960 0.001 0.000 0.222 150 G HA3 -0.224 3.737 3.960 0.001 0.000 0.222 150 G C 0.312 175.214 174.900 0.004 0.000 1.694 150 G CA 0.277 45.375 45.100 -0.002 0.000 1.432 150 G HN 0.356 nan 8.290 nan 0.000 0.476 151 V N -1.093 118.821 119.914 -0.000 0.000 3.612 151 V HA 0.519 4.640 4.120 0.001 0.000 0.268 151 V C 0.747 176.852 176.094 0.018 0.000 1.365 151 V CA 1.168 63.472 62.300 0.007 0.000 1.044 151 V CB 0.140 31.962 31.823 -0.001 0.000 0.820 151 V HN 0.475 nan 8.190 nan 0.000 0.444 152 K N 1.542 121.955 120.400 0.021 0.000 2.090 152 K HA 0.640 4.960 4.320 0.001 0.000 0.250 152 K C 0.676 177.308 176.600 0.053 0.000 1.004 152 K CA 0.307 56.614 56.287 0.034 0.000 0.919 152 K CB 1.100 33.618 32.500 0.030 0.000 1.045 152 K HN 0.643 nan 8.250 nan 0.000 0.471 153 G N 1.138 109.977 108.800 0.065 0.000 2.681 153 G HA2 -0.221 3.740 3.960 0.001 0.000 0.220 153 G HA3 -0.221 3.740 3.960 0.001 0.000 0.220 153 G C -0.845 174.092 174.900 0.061 0.000 1.353 153 G CA -0.763 44.387 45.100 0.083 0.000 0.872 153 G HN 0.616 nan 8.290 nan 0.000 0.557 154 N N 0.285 119.021 118.700 0.060 0.000 2.476 154 N HA 0.406 5.147 4.740 0.001 0.000 0.276 154 N C 1.300 176.831 175.510 0.035 0.000 1.204 154 N CA -0.648 52.425 53.050 0.039 0.000 0.974 154 N CB 1.030 39.533 38.487 0.027 0.000 1.204 154 N HN 0.473 nan 8.380 nan 0.000 0.543 155 K N 0.712 121.127 120.400 0.026 0.000 2.286 155 K HA -0.082 4.238 4.320 0.001 0.000 0.203 155 K C -0.161 176.454 176.600 0.025 0.000 1.045 155 K CA 1.395 57.696 56.287 0.024 0.000 0.935 155 K CB -0.085 32.425 32.500 0.018 0.000 0.737 155 K HN 0.617 nan 8.250 nan 0.000 0.460 156 E N -0.529 119.684 120.200 0.021 0.000 2.356 156 E HA 0.263 4.614 4.350 0.001 0.000 0.275 156 E C -1.042 175.566 176.600 0.014 0.000 0.904 156 E CA -0.844 55.566 56.400 0.018 0.000 0.757 156 E CB 1.642 31.346 29.700 0.006 0.000 1.232 156 E HN -0.246 nan 8.360 nan 0.000 0.442 157 L N 2.556 123.792 121.223 0.022 0.000 2.472 157 L HA 0.282 4.622 4.340 0.001 0.000 0.260 157 L C -1.910 174.914 176.870 -0.077 0.000 1.209 157 L CA -1.774 53.070 54.840 0.007 0.000 0.817 157 L CB -0.755 41.344 42.059 0.068 0.000 1.106 157 L HN 0.457 nan 8.230 nan 0.000 0.479 158 P HA -0.034 nan 4.420 nan 0.000 0.267 158 P C -0.474 176.740 177.300 -0.144 0.000 1.200 158 P CA -0.367 62.586 63.100 -0.245 0.000 0.772 158 P CB 0.263 31.654 31.700 -0.515 0.000 0.855 159 D N 1.522 121.860 120.400 -0.104 0.000 2.793 159 D HA -0.099 4.541 4.640 0.001 0.000 0.230 159 D C 1.312 177.581 176.300 -0.052 0.000 1.139 159 D CA 0.645 54.607 54.000 -0.063 0.000 0.838 159 D CB 0.670 41.437 40.800 -0.055 0.000 1.149 159 D HN 0.347 nan 8.370 nan 0.000 0.526 160 S N 3.981 119.667 115.700 -0.023 0.000 2.382 160 S HA -0.246 4.224 4.470 0.001 0.000 0.228 160 S C 1.800 176.405 174.600 0.007 0.000 1.027 160 S CA 1.200 59.402 58.200 0.004 0.000 0.991 160 S CB -0.059 63.150 63.200 0.016 0.000 0.823 160 S HN 0.630 nan 8.310 nan 0.000 0.469 161 K N 1.188 121.586 120.400 -0.003 0.000 2.103 161 K HA -0.150 4.170 4.320 0.001 0.000 0.207 161 K C 2.189 178.786 176.600 -0.006 0.000 1.048 161 K CA 1.625 57.911 56.287 -0.002 0.000 0.930 161 K CB -0.227 32.269 32.500 -0.007 0.000 0.716 161 K HN 0.420 nan 8.250 nan 0.000 0.444 162 E N -0.123 120.065 120.200 -0.021 0.000 2.072 162 E HA -0.117 4.234 4.350 0.001 0.000 0.191 162 E C 1.754 178.342 176.600 -0.021 0.000 0.985 162 E CA 1.179 57.560 56.400 -0.031 0.000 0.801 162 E CB 0.130 29.796 29.700 -0.057 0.000 0.750 162 E HN 0.136 nan 8.360 nan 0.000 0.452 163 V N 0.989 120.895 119.914 -0.012 0.000 2.358 163 V HA -0.211 3.909 4.120 0.001 0.000 0.246 163 V C 2.358 178.477 176.094 0.041 0.000 1.047 163 V CA 1.400 63.716 62.300 0.027 0.000 1.035 163 V CB -0.514 31.355 31.823 0.076 0.000 0.658 163 V HN 0.374 nan 8.190 nan 0.000 0.452 164 L N 0.118 121.366 121.223 0.041 0.000 1.956 164 L HA -0.279 4.061 4.340 0.001 0.000 0.216 164 L C 2.693 179.579 176.870 0.028 0.000 1.073 164 L CA 2.353 57.221 54.840 0.045 0.000 0.762 164 L CB -0.391 41.691 42.059 0.038 0.000 0.889 164 L HN 0.426 nan 8.230 nan 0.000 0.433 165 E N -0.691 119.517 120.200 0.014 0.000 2.106 165 E HA -0.213 4.137 4.350 0.001 0.000 0.192 165 E C 2.177 178.779 176.600 0.003 0.000 0.984 165 E CA 0.978 57.382 56.400 0.006 0.000 0.806 165 E CB 0.109 29.808 29.700 -0.001 0.000 0.750 165 E HN 0.483 nan 8.360 nan 0.000 0.458 166 K N 0.301 120.701 120.400 0.000 0.000 2.137 166 K HA -0.045 4.276 4.320 0.001 0.000 0.202 166 K C 2.004 178.602 176.600 -0.003 0.000 1.052 166 K CA 1.406 57.689 56.287 -0.007 0.000 0.961 166 K CB 0.525 33.015 32.500 -0.017 0.000 0.741 166 K HN 0.145 nan 8.250 nan 0.000 0.452 167 V N -2.910 117.008 119.914 0.007 0.000 3.398 167 V HA 0.178 4.299 4.120 0.001 0.000 0.298 167 V C 1.263 177.360 176.094 0.005 0.000 1.496 167 V CA -0.059 62.244 62.300 0.005 0.000 1.044 167 V CB -0.039 31.790 31.823 0.011 0.000 0.880 167 V HN 0.033 nan 8.190 nan 0.000 0.443 168 L N 0.007 121.240 121.223 0.016 0.000 2.362 168 L HA 0.410 4.750 4.340 0.001 0.000 0.204 168 L C 0.931 177.818 176.870 0.028 0.000 1.060 168 L CA 0.268 55.121 54.840 0.022 0.000 0.827 168 L CB 0.192 42.278 42.059 0.045 0.000 1.027 168 L HN 0.205 nan 8.230 nan 0.000 0.474 169 L N 1.615 122.854 121.223 0.025 0.000 2.453 169 L HA 0.097 4.438 4.340 0.001 0.000 0.272 169 L C 0.752 177.635 176.870 0.021 0.000 1.182 169 L CA 0.031 54.885 54.840 0.024 0.000 0.858 169 L CB 0.402 42.470 42.059 0.015 0.000 1.120 169 L HN 0.213 nan 8.230 nan 0.000 0.474 170 R N 3.236 123.755 120.500 0.031 0.000 2.401 170 R HA 0.094 4.435 4.340 0.001 0.000 0.299 170 R C 0.699 177.018 176.300 0.031 0.000 1.064 170 R CA -0.417 55.705 56.100 0.037 0.000 1.000 170 R CB 0.685 31.027 30.300 0.070 0.000 0.973 170 R HN 0.618 nan 8.270 nan 0.000 0.438 171 R N 3.277 123.791 120.500 0.024 0.000 2.033 171 R HA 0.084 4.425 4.340 0.001 0.000 0.219 171 R C 0.253 176.577 176.300 0.040 0.000 1.223 171 R CA 0.773 56.887 56.100 0.024 0.000 0.971 171 R CB -0.509 29.798 30.300 0.012 0.000 0.855 171 R HN 0.631 nan 8.270 nan 0.000 0.452 172 E N 0.580 120.803 120.200 0.037 0.000 2.214 172 E HA 0.195 4.545 4.350 0.001 0.000 0.274 172 E C -1.265 175.389 176.600 0.091 0.000 0.977 172 E CA -0.774 55.664 56.400 0.064 0.000 0.827 172 E CB 1.235 30.959 29.700 0.039 0.000 1.130 172 E HN 0.004 nan 8.360 nan 0.000 0.394 173 F N 4.527 124.470 119.950 -0.012 0.000 2.571 173 F HA 0.180 4.708 4.527 0.001 0.000 0.384 173 F C -0.521 175.267 175.800 -0.020 0.000 1.058 173 F CA 0.012 58.004 58.000 -0.014 0.000 1.200 173 F CB 0.238 39.226 39.000 -0.020 0.000 1.077 173 F HN 0.306 nan 8.300 nan 0.000 0.558 174 I N 9.398 129.594 120.570 -0.623 0.000 2.307 174 I HA 0.274 4.445 4.170 0.001 0.000 0.289 174 I C -2.069 173.517 176.117 -0.884 0.000 1.021 174 I CA -2.165 58.807 61.300 -0.546 0.000 1.224 174 I CB 1.000 38.824 38.000 -0.293 0.000 1.376 174 I HN 0.450 nan 8.210 nan 0.000 0.470 175 P HA 0.067 nan 4.420 nan 0.000 0.277 175 P C -0.857 176.254 177.300 -0.315 0.000 1.240 175 P CA -0.321 62.448 63.100 -0.551 0.000 0.798 175 P CB 0.912 32.507 31.700 -0.175 0.000 0.979 176 D N 2.979 123.241 120.400 -0.230 0.000 2.371 176 D HA 0.046 4.686 4.640 0.001 0.000 0.256 176 D C -1.197 175.001 176.300 -0.170 0.000 1.193 176 D CA -1.887 51.987 54.000 -0.210 0.000 0.881 176 D CB 0.372 41.046 40.800 -0.208 0.000 1.143 176 D HN 0.166 nan 8.370 nan 0.000 0.473 177 P HA -0.142 nan 4.420 nan 0.000 0.226 177 P C 0.619 177.832 177.300 -0.145 0.000 1.153 177 P CA 0.970 63.985 63.100 -0.141 0.000 0.777 177 P CB 0.244 31.862 31.700 -0.137 0.000 0.794 178 Q N -0.857 118.822 119.800 -0.202 0.000 2.444 178 Q HA 0.175 4.516 4.340 0.001 0.000 0.206 178 Q C 1.223 177.174 176.000 -0.082 0.000 0.948 178 Q CA 0.533 56.207 55.803 -0.216 0.000 0.946 178 Q CB -0.332 28.155 28.738 -0.418 0.000 1.027 178 Q HN 0.259 nan 8.270 nan 0.000 0.513 179 G N 1.278 110.038 108.800 -0.066 0.000 2.153 179 G HA2 -0.285 3.675 3.960 0.001 0.000 0.252 179 G HA3 -0.285 3.675 3.960 0.001 0.000 0.252 179 G C 0.069 174.975 174.900 0.010 0.000 0.994 179 G CA 0.289 45.385 45.100 -0.007 0.000 0.698 179 G HN 0.312 nan 8.290 nan 0.000 0.521 180 S N 0.843 116.531 115.700 -0.021 0.000 2.561 180 S HA 0.332 4.802 4.470 0.001 0.000 0.294 180 S C 0.810 175.404 174.600 -0.011 0.000 1.294 180 S CA 0.790 58.918 58.200 -0.120 0.000 1.055 180 S CB 0.575 63.605 63.200 -0.284 0.000 0.819 180 S HN 1.057 nan 8.310 nan 0.000 0.503 181 N N 1.196 119.935 118.700 0.065 0.000 2.890 181 N HA 0.402 5.142 4.740 0.001 0.000 0.317 181 N C 0.405 176.029 175.510 0.189 0.000 1.355 181 N CA -0.961 52.170 53.050 0.136 0.000 0.803 181 N CB -0.063 38.513 38.487 0.148 0.000 1.465 181 N HN 0.259 nan 8.380 nan 0.000 0.591 182 M N -0.347 119.328 119.600 0.125 0.000 2.394 182 M HA 0.128 4.609 4.480 0.001 0.000 0.264 182 M C 1.345 177.741 176.300 0.161 0.000 1.073 182 M CA 0.934 56.207 55.300 -0.045 0.000 1.111 182 M CB -1.027 31.400 32.600 -0.288 0.000 1.401 182 M HN 0.521 nan 8.290 nan 0.000 0.448 183 M N -1.205 118.622 119.600 0.379 0.000 2.229 183 M HA -0.152 4.328 4.480 0.001 0.000 0.264 183 M C 2.202 178.936 176.300 0.723 0.000 1.063 183 M CA 1.370 57.018 55.300 0.580 0.000 1.114 183 M CB -1.242 31.641 32.600 0.471 0.000 1.387 183 M HN 0.225 nan 8.290 nan 0.000 0.420 184 F N 1.005 121.203 119.950 0.413 0.000 2.149 184 F HA 0.004 4.531 4.527 0.001 0.000 0.294 184 F C 2.326 178.261 175.800 0.225 0.000 1.095 184 F CA 1.477 59.599 58.000 0.202 0.000 1.276 184 F CB -0.389 38.588 39.000 -0.039 0.000 1.023 184 F HN 0.090 nan 8.300 nan 0.000 0.480 185 A N 0.258 123.182 122.820 0.173 0.000 1.883 185 A HA -0.206 4.114 4.320 0.001 0.000 0.217 185 A C 1.999 179.500 177.584 -0.139 0.000 1.186 185 A CA 1.971 53.979 52.037 -0.049 0.000 0.624 185 A CB -1.537 17.339 19.000 -0.207 0.000 0.822 185 A HN 0.452 nan 8.150 nan 0.000 0.444 186 F N -1.969 118.070 119.950 0.150 0.000 2.456 186 F HA 0.074 4.601 4.527 0.001 0.000 0.298 186 F C 1.834 177.697 175.800 0.104 0.000 1.104 186 F CA 0.288 58.386 58.000 0.162 0.000 1.435 186 F CB -0.670 38.481 39.000 0.252 0.000 1.078 186 F HN 0.350 nan 8.300 nan 0.000 0.546 187 F N 0.460 120.452 119.950 0.069 0.000 2.206 187 F HA -0.033 4.494 4.527 0.001 0.000 0.298 187 F C 2.290 177.955 175.800 -0.226 0.000 1.090 187 F CA 1.153 58.938 58.000 -0.360 0.000 1.323 187 F CB -0.290 38.567 39.000 -0.239 0.000 1.028 187 F HN -0.086 nan 8.300 nan 0.000 0.492 188 A N -0.198 122.645 122.820 0.038 0.000 1.898 188 A HA -0.218 4.102 4.320 0.001 0.000 0.216 188 A C 2.202 179.722 177.584 -0.106 0.000 1.181 188 A CA 1.639 53.719 52.037 0.073 0.000 0.620 188 A CB -0.965 18.150 19.000 0.191 0.000 0.819 188 A HN 0.553 nan 8.150 nan 0.000 0.442 189 Q N -1.199 118.524 119.800 -0.128 0.000 2.050 189 Q HA -0.246 4.095 4.340 0.001 0.000 0.202 189 Q C 2.143 177.867 176.000 -0.460 0.000 0.980 189 Q CA 1.692 57.304 55.803 -0.318 0.000 0.840 189 Q CB -0.353 28.243 28.738 -0.235 0.000 0.898 189 Q HN 0.877 nan 8.270 nan 0.000 0.424 190 H N -0.558 118.246 119.070 -0.442 0.000 2.270 190 H HA -0.182 4.375 4.556 0.001 0.000 0.299 190 H C 2.017 177.124 175.328 -0.367 0.000 1.077 190 H CA 1.935 57.688 56.048 -0.493 0.000 1.294 190 H CB -0.375 29.111 29.762 -0.460 0.000 1.371 190 H HN 0.360 nan 8.280 nan 0.000 0.491 191 F N 2.037 121.597 119.950 -0.649 0.000 2.102 191 F HA -0.202 4.325 4.527 0.001 0.000 0.298 191 F C 2.823 178.010 175.800 -1.021 0.000 1.105 191 F CA 2.474 59.991 58.000 -0.804 0.000 1.239 191 F CB -0.932 37.575 39.000 -0.821 0.000 0.991 191 F HN 0.248 nan 8.300 nan 0.000 0.474 192 T N -2.660 111.222 114.554 -1.121 0.000 2.915 192 T HA -0.218 4.133 4.350 0.001 0.000 0.269 192 T C 1.449 175.264 174.700 -1.476 0.000 1.071 192 T CA 1.719 62.773 62.100 -1.743 0.000 1.132 192 T CB -0.955 67.271 68.868 -1.069 0.000 0.878 192 T HN 0.404 nan 8.240 nan 0.000 0.479 193 H N 1.726 120.242 119.070 -0.924 0.000 2.553 193 H HA 0.163 4.720 4.556 0.001 0.000 0.269 193 H C 2.338 177.310 175.328 -0.593 0.000 1.011 193 H CA 0.701 56.439 56.048 -0.516 0.000 1.150 193 H CB -0.257 29.457 29.762 -0.079 0.000 1.339 193 H HN 0.777 nan 8.280 nan 0.000 0.604 194 Q N -0.213 119.012 119.800 -0.959 0.000 2.250 194 Q HA -0.050 4.290 4.340 0.001 0.000 0.200 194 Q C 0.929 176.546 176.000 -0.638 0.000 0.941 194 Q CA 0.975 56.262 55.803 -0.860 0.000 0.872 194 Q CB -0.143 27.849 28.738 -1.242 0.000 0.965 194 Q HN 0.585 nan 8.270 nan 0.000 0.480 195 F N -2.617 116.906 119.950 -0.710 0.000 2.706 195 F HA 0.487 5.014 4.527 0.001 0.000 0.308 195 F C -0.239 175.274 175.800 -0.478 0.000 1.095 195 F CA -1.148 56.482 58.000 -0.617 0.000 1.244 195 F CB 0.537 39.141 39.000 -0.660 0.000 1.063 195 F HN -0.227 nan 8.300 nan 0.000 0.582 196 F N 3.647 123.405 119.950 -0.320 0.000 2.313 196 F HA 0.486 5.013 4.527 0.001 0.000 0.369 196 F C -0.126 175.485 175.800 -0.315 0.000 1.109 196 F CA -1.695 56.152 58.000 -0.254 0.000 1.132 196 F CB 0.901 39.603 39.000 -0.495 0.000 1.291 196 F HN -0.032 nan 8.300 nan 0.000 0.496 197 K N 2.066 122.481 120.400 0.025 0.000 2.992 197 K HA 0.204 4.525 4.320 0.001 0.000 0.178 197 K C -0.468 176.075 176.600 -0.095 0.000 1.122 197 K CA -0.352 55.878 56.287 -0.095 0.000 0.926 197 K CB 1.107 33.510 32.500 -0.161 0.000 1.121 197 K HN 0.324 nan 8.250 nan 0.000 0.610 198 T N 1.499 116.005 114.554 -0.080 0.000 2.902 198 T HA -0.051 4.300 4.350 0.001 0.000 0.301 198 T C 0.114 174.577 174.700 -0.394 0.000 1.012 198 T CA 0.373 62.357 62.100 -0.193 0.000 1.151 198 T CB 0.354 69.057 68.868 -0.275 0.000 0.946 198 T HN 0.260 nan 8.240 nan 0.000 0.542 199 D N 1.664 121.908 120.400 -0.259 0.000 2.483 199 D HA 0.046 4.686 4.640 0.001 0.000 0.220 199 D C 1.233 177.433 176.300 -0.167 0.000 1.173 199 D CA -0.333 53.550 54.000 -0.196 0.000 0.964 199 D CB 0.077 40.784 40.800 -0.155 0.000 1.046 199 D HN 0.543 nan 8.370 nan 0.000 0.517 200 H N 2.695 121.763 119.070 -0.004 0.000 2.518 200 H HA -0.070 4.486 4.556 0.001 0.000 0.289 200 H C 1.451 176.765 175.328 -0.024 0.000 1.051 200 H CA 0.783 56.834 56.048 0.005 0.000 1.280 200 H CB 0.503 30.268 29.762 0.006 0.000 1.380 200 H HN 0.489 nan 8.280 nan 0.000 0.566 201 K N 0.995 121.412 120.400 0.028 0.000 2.097 201 K HA -0.072 4.248 4.320 0.001 0.000 0.205 201 K C 2.110 178.654 176.600 -0.093 0.000 1.050 201 K CA 0.736 57.005 56.287 -0.029 0.000 0.938 201 K CB 0.022 32.486 32.500 -0.060 0.000 0.718 201 K HN 0.287 nan 8.250 nan 0.000 0.442 202 R N 0.605 120.992 120.500 -0.188 0.000 2.080 202 R HA 0.068 4.408 4.340 0.001 0.000 0.222 202 R C 0.858 177.056 176.300 -0.169 0.000 1.107 202 R CA 0.768 56.632 56.100 -0.393 0.000 0.980 202 R CB 0.271 30.007 30.300 -0.940 0.000 0.879 202 R HN 0.324 nan 8.270 nan 0.000 0.439 203 G N -0.635 108.194 108.800 0.049 0.000 2.347 203 G HA2 -0.070 3.891 3.960 0.001 0.000 0.321 203 G HA3 -0.070 3.891 3.960 0.001 0.000 0.321 203 G C -2.569 172.489 174.900 0.264 0.000 1.412 203 G CA -0.914 44.323 45.100 0.228 0.000 0.990 203 G HN -0.207 nan 8.290 nan 0.000 0.637 204 P HA 0.017 nan 4.420 nan 0.000 0.222 204 P C 1.503 178.896 177.300 0.155 0.000 1.147 204 P CA 1.738 64.911 63.100 0.122 0.000 0.790 204 P CB 0.091 31.829 31.700 0.062 0.000 0.780 205 G N -2.001 106.879 108.800 0.134 0.000 3.284 205 G HA2 0.219 4.180 3.960 0.001 0.000 0.236 205 G HA3 0.219 4.180 3.960 0.001 0.000 0.236 205 G C -0.127 174.675 174.900 -0.164 0.000 1.158 205 G CA -0.131 44.996 45.100 0.045 0.000 0.774 205 G HN 0.130 nan 8.290 nan 0.000 0.545 206 F N -0.754 119.202 119.950 0.009 0.000 2.538 206 F HA 0.682 5.209 4.527 0.001 0.000 0.325 206 F C 0.329 175.832 175.800 -0.495 0.000 1.066 206 F CA -0.801 57.040 58.000 -0.266 0.000 0.946 206 F CB 2.555 41.386 39.000 -0.282 0.000 1.199 206 F HN -0.165 nan 8.300 nan 0.000 0.473 207 T N 0.340 114.627 114.554 -0.444 0.000 2.906 207 T HA 0.438 4.789 4.350 0.001 0.000 0.295 207 T C 0.376 174.869 174.700 -0.344 0.000 1.061 207 T CA -0.590 61.134 62.100 -0.627 0.000 1.000 207 T CB 1.297 69.493 68.868 -1.119 0.000 1.103 207 T HN 0.702 nan 8.240 nan 0.000 0.486 208 R N 1.548 121.877 120.500 -0.285 0.000 2.362 208 R HA 0.260 4.600 4.340 0.001 0.000 0.227 208 R C 1.218 177.380 176.300 -0.230 0.000 0.905 208 R CA -0.101 55.868 56.100 -0.217 0.000 1.067 208 R CB 0.567 30.765 30.300 -0.170 0.000 1.078 208 R HN 0.575 nan 8.270 nan 0.000 0.516 209 G N 1.142 109.762 108.800 -0.300 0.000 3.161 209 G HA2 0.166 4.127 3.960 0.001 0.000 0.293 209 G HA3 0.166 4.127 3.960 0.001 0.000 0.293 209 G C 0.690 175.350 174.900 -0.401 0.000 0.893 209 G CA -0.395 44.523 45.100 -0.302 0.000 1.756 209 G HN 0.148 nan 8.290 nan 0.000 0.549 210 L N 1.348 122.414 121.223 -0.261 0.000 2.456 210 L HA 0.003 4.343 4.340 0.001 0.000 0.224 210 L C 2.710 179.537 176.870 -0.072 0.000 1.148 210 L CA 0.791 55.526 54.840 -0.174 0.000 0.825 210 L CB 0.078 42.086 42.059 -0.085 0.000 0.937 210 L HN 0.519 nan 8.230 nan 0.000 0.450 211 G N -2.153 106.584 108.800 -0.105 0.000 2.484 211 G HA2 -0.184 3.777 3.960 0.001 0.000 0.218 211 G HA3 -0.184 3.777 3.960 0.001 0.000 0.218 211 G C 0.615 175.534 174.900 0.033 0.000 1.130 211 G CA -0.086 44.998 45.100 -0.028 0.000 0.784 211 G HN 0.558 nan 8.290 nan 0.000 0.543 212 H N -0.155 118.873 119.070 -0.070 0.000 2.626 212 H HA -0.159 4.397 4.556 0.001 0.000 0.317 212 H C 1.146 176.409 175.328 -0.107 0.000 1.140 212 H CA 1.199 57.202 56.048 -0.076 0.000 1.134 212 H CB -1.371 28.345 29.762 -0.077 0.000 1.486 212 H HN 0.796 nan 8.280 nan 0.000 0.417 213 G N -1.783 106.989 108.800 -0.047 0.000 2.360 213 G HA2 0.201 4.161 3.960 0.001 0.000 0.276 213 G HA3 0.201 4.161 3.960 0.001 0.000 0.276 213 G C -0.856 174.045 174.900 0.001 0.000 1.256 213 G CA -0.295 44.739 45.100 -0.109 0.000 0.890 213 G HN 0.174 nan 8.290 nan 0.000 0.486 214 V N 2.400 122.330 119.914 0.026 0.000 2.287 214 V HA 0.304 4.424 4.120 0.001 0.000 0.246 214 V C 0.327 176.453 176.094 0.054 0.000 1.165 214 V CA 0.938 63.280 62.300 0.070 0.000 1.088 214 V CB 0.290 32.212 31.823 0.166 0.000 1.242 214 V HN 0.774 nan 8.190 nan 0.000 0.497 215 D N 3.280 123.692 120.400 0.020 0.000 2.469 215 D HA 0.073 4.714 4.640 0.001 0.000 0.213 215 D C 0.891 177.255 176.300 0.108 0.000 1.135 215 D CA -0.378 53.656 54.000 0.056 0.000 0.834 215 D CB 0.060 40.880 40.800 0.032 0.000 1.009 215 D HN 0.326 nan 8.370 nan 0.000 0.507 216 L N 0.866 122.149 121.223 0.099 0.000 3.843 216 L HA -0.353 3.988 4.340 0.001 0.000 0.411 216 L C 0.894 177.906 176.870 0.235 0.000 1.205 216 L CA 0.727 55.703 54.840 0.227 0.000 0.945 216 L CB -2.504 39.639 42.059 0.140 0.000 1.929 216 L HN 0.294 nan 8.230 nan 0.000 0.934 217 N N 0.275 119.057 118.700 0.137 0.000 2.430 217 N HA -0.217 4.523 4.740 0.001 0.000 0.186 217 N C 1.674 177.180 175.510 -0.007 0.000 1.032 217 N CA 1.870 54.957 53.050 0.061 0.000 0.893 217 N CB -0.288 38.181 38.487 -0.031 0.000 0.957 217 N HN 0.738 nan 8.380 nan 0.000 0.442 218 H N -1.073 117.824 119.070 -0.289 0.000 2.555 218 H HA 0.165 4.722 4.556 0.001 0.000 0.269 218 H C 1.312 176.442 175.328 -0.329 0.000 0.988 218 H CA 0.457 56.252 56.048 -0.423 0.000 1.178 218 H CB -0.297 29.182 29.762 -0.472 0.000 1.373 218 H HN 0.432 nan 8.280 nan 0.000 0.588 219 I N -1.115 119.154 120.570 -0.502 0.000 3.718 219 I HA -0.027 4.143 4.170 0.001 0.000 0.297 219 I C 1.061 176.908 176.117 -0.449 0.000 1.220 219 I CA 0.144 61.088 61.300 -0.592 0.000 1.381 219 I CB 0.200 37.624 38.000 -0.960 0.000 1.238 219 I HN -0.030 nan 8.210 nan 0.000 0.448 220 Y N 1.277 121.535 120.300 -0.070 0.000 2.442 220 Y HA 0.495 5.045 4.550 0.001 0.000 0.250 220 Y C 1.136 177.035 175.900 -0.001 0.000 1.113 220 Y CA -0.065 58.041 58.100 0.010 0.000 1.273 220 Y CB 0.172 38.681 38.460 0.080 0.000 1.138 220 Y HN 0.110 nan 8.280 nan 0.000 0.522 221 G N 0.584 109.426 108.800 0.071 0.000 2.719 221 G HA2 -0.188 3.773 3.960 0.001 0.000 0.686 221 G HA3 -0.188 3.773 3.960 0.001 0.000 0.686 221 G C 0.321 175.226 174.900 0.007 0.000 1.201 221 G CA -0.360 44.744 45.100 0.007 0.000 0.768 221 G HN 0.025 nan 8.290 nan 0.000 0.629 222 E N -0.402 119.772 120.200 -0.043 0.000 2.051 222 E HA -0.042 4.308 4.350 0.001 0.000 0.192 222 E C 1.966 178.543 176.600 -0.039 0.000 0.991 222 E CA 2.058 58.428 56.400 -0.051 0.000 0.799 222 E CB -0.188 29.464 29.700 -0.081 0.000 0.748 222 E HN 1.083 nan 8.360 nan 0.000 0.449 223 T N -2.320 112.207 114.554 -0.045 0.000 2.918 223 T HA 0.327 4.678 4.350 0.001 0.000 0.286 223 T C 1.305 175.956 174.700 -0.080 0.000 1.026 223 T CA -0.769 61.296 62.100 -0.058 0.000 1.031 223 T CB 1.532 70.363 68.868 -0.061 0.000 1.046 223 T HN -0.058 nan 8.240 nan 0.000 0.479 224 L N 0.432 121.578 121.223 -0.127 0.000 2.079 224 L HA -0.114 4.226 4.340 0.001 0.000 0.210 224 L C 2.323 179.000 176.870 -0.321 0.000 1.081 224 L CA 1.882 56.560 54.840 -0.270 0.000 0.752 224 L CB -0.459 41.418 42.059 -0.304 0.000 0.896 224 L HN 0.869 nan 8.230 nan 0.000 0.433 225 D N -0.232 120.067 120.400 -0.168 0.000 2.104 225 D HA -0.258 4.382 4.640 0.001 0.000 0.194 225 D C 2.219 178.506 176.300 -0.021 0.000 0.994 225 D CA 1.319 55.270 54.000 -0.081 0.000 0.830 225 D CB 0.095 40.867 40.800 -0.047 0.000 0.959 225 D HN 0.266 nan 8.370 nan 0.000 0.452 226 R N 0.493 120.976 120.500 -0.029 0.000 2.073 226 R HA -0.086 4.255 4.340 0.001 0.000 0.229 226 R C 2.384 178.699 176.300 0.025 0.000 1.120 226 R CA 1.089 57.188 56.100 -0.001 0.000 0.967 226 R CB -0.173 30.116 30.300 -0.019 0.000 0.862 226 R HN 0.160 nan 8.270 nan 0.000 0.436 227 Q N -0.126 119.681 119.800 0.010 0.000 2.112 227 Q HA -0.250 4.090 4.340 0.001 0.000 0.206 227 Q C 1.602 177.644 176.000 0.071 0.000 0.987 227 Q CA 2.002 57.834 55.803 0.047 0.000 0.858 227 Q CB -0.167 28.588 28.738 0.029 0.000 0.905 227 Q HN 0.667 nan 8.270 nan 0.000 0.420 228 H N -0.628 118.423 119.070 -0.032 0.000 2.423 228 H HA -0.030 4.526 4.556 0.001 0.000 0.297 228 H C 1.933 177.309 175.328 0.081 0.000 1.075 228 H CA 0.874 56.948 56.048 0.043 0.000 1.342 228 H CB 0.332 30.206 29.762 0.187 0.000 1.395 228 H HN 0.212 nan 8.280 nan 0.000 0.530 229 K N 0.568 121.070 120.400 0.170 0.000 2.217 229 K HA -0.043 4.277 4.320 0.001 0.000 0.202 229 K C 1.734 178.374 176.600 0.067 0.000 1.051 229 K CA 0.534 56.889 56.287 0.113 0.000 0.952 229 K CB 0.220 32.766 32.500 0.076 0.000 0.736 229 K HN 0.261 nan 8.250 nan 0.000 0.453 230 L N 0.436 121.682 121.223 0.039 0.000 2.492 230 L HA 0.010 4.350 4.340 0.001 0.000 0.223 230 L C 0.706 177.561 176.870 -0.025 0.000 1.132 230 L CA 0.251 55.106 54.840 0.024 0.000 0.850 230 L CB 0.069 42.153 42.059 0.041 0.000 0.966 230 L HN 0.045 nan 8.230 nan 0.000 0.454 231 R N -0.651 119.757 120.500 -0.153 0.000 2.598 231 R HA 0.210 4.550 4.340 0.001 0.000 0.279 231 R C 0.502 176.626 176.300 -0.294 0.000 0.984 231 R CA -0.589 55.292 56.100 -0.366 0.000 0.999 231 R CB 1.735 31.479 30.300 -0.927 0.000 1.114 231 R HN -0.134 nan 8.270 nan 0.000 0.493 232 L N 1.624 122.726 121.223 -0.201 0.000 2.354 232 L HA 0.224 4.565 4.340 0.001 0.000 0.212 232 L C 0.138 177.058 176.870 0.084 0.000 1.091 232 L CA 1.033 55.870 54.840 -0.004 0.000 0.828 232 L CB -0.083 42.025 42.059 0.081 0.000 0.973 232 L HN 0.817 nan 8.230 nan 0.000 0.461 233 F N -0.487 119.453 119.950 -0.017 0.000 3.034 233 F HA -0.319 4.208 4.527 0.001 0.000 0.286 233 F C 0.375 176.180 175.800 0.008 0.000 0.804 233 F CA 0.864 58.837 58.000 -0.045 0.000 1.161 233 F CB -1.618 37.326 39.000 -0.093 0.000 1.317 233 F HN 0.125 nan 8.300 nan 0.000 0.453 234 K N 0.229 120.724 120.400 0.158 0.000 2.443 234 K HA 0.354 4.675 4.320 0.001 0.000 0.252 234 K C 0.066 176.755 176.600 0.148 0.000 0.933 234 K CA -0.759 55.615 56.287 0.144 0.000 0.792 234 K CB 1.686 34.260 32.500 0.124 0.000 1.185 234 K HN -0.003 nan 8.250 nan 0.000 0.425 235 D N 1.154 121.646 120.400 0.153 0.000 3.059 235 D HA -0.189 4.452 4.640 0.001 0.000 0.220 235 D C 0.706 177.122 176.300 0.194 0.000 1.169 235 D CA 1.809 55.908 54.000 0.165 0.000 0.902 235 D CB -1.139 39.748 40.800 0.145 0.000 1.116 235 D HN 1.102 nan 8.370 nan 0.000 0.417 236 G N -0.189 108.738 108.800 0.211 0.000 2.143 236 G HA2 -0.375 3.585 3.960 0.001 0.000 0.248 236 G HA3 -0.375 3.585 3.960 0.001 0.000 0.248 236 G C 0.264 175.451 174.900 0.478 0.000 0.991 236 G CA 0.874 46.166 45.100 0.320 0.000 0.689 236 G HN 0.489 nan 8.290 nan 0.000 0.522 237 K N -0.727 119.871 120.400 0.330 0.000 2.098 237 K HA 0.632 4.953 4.320 0.001 0.000 0.257 237 K C 0.157 176.948 176.600 0.318 0.000 0.999 237 K CA -1.016 55.510 56.287 0.400 0.000 0.924 237 K CB 0.864 33.543 32.500 0.298 0.000 1.028 237 K HN 0.001 nan 8.250 nan 0.000 0.466 238 L N 2.512 123.945 121.223 0.350 0.000 2.326 238 L HA 0.214 4.554 4.340 0.001 0.000 0.278 238 L C 0.275 177.300 176.870 0.259 0.000 1.092 238 L CA -0.009 54.954 54.840 0.205 0.000 0.810 238 L CB 0.776 42.927 42.059 0.153 0.000 1.153 238 L HN 0.473 nan 8.230 nan 0.000 0.439 239 K N 3.096 123.589 120.400 0.155 0.000 2.494 239 K HA 0.183 4.503 4.320 0.001 0.000 0.273 239 K C -1.041 175.718 176.600 0.266 0.000 0.970 239 K CA 0.790 57.159 56.287 0.138 0.000 0.963 239 K CB 0.289 32.824 32.500 0.058 0.000 0.913 239 K HN 0.592 nan 8.250 nan 0.000 0.502 240 Y N -2.491 117.859 120.300 0.083 0.000 2.713 240 Y HA 0.253 4.803 4.550 0.001 0.000 0.335 240 Y C -1.486 174.475 175.900 0.103 0.000 1.222 240 Y CA -1.396 56.761 58.100 0.095 0.000 1.061 240 Y CB 0.974 39.480 38.460 0.077 0.000 1.314 240 Y HN 0.608 nan 8.280 nan 0.000 0.453 241 Q N 0.942 120.894 119.800 0.254 0.000 2.433 241 Q HA 0.842 5.183 4.340 0.001 0.000 0.279 241 Q C -2.025 174.158 176.000 0.305 0.000 1.105 241 Q CA -1.292 54.608 55.803 0.162 0.000 0.815 241 Q CB 3.040 31.869 28.738 0.152 0.000 1.403 241 Q HN 0.626 nan 8.270 nan 0.000 0.435 242 V N 2.705 122.748 119.914 0.215 0.000 2.417 242 V HA 0.502 4.623 4.120 0.001 0.000 0.291 242 V C -0.457 175.752 176.094 0.192 0.000 1.024 242 V CA -0.529 61.907 62.300 0.227 0.000 0.861 242 V CB 1.201 33.129 31.823 0.176 0.000 0.985 242 V HN 0.669 nan 8.190 nan 0.000 0.436 243 I N 3.425 124.147 120.570 0.253 0.000 2.478 243 I HA 0.521 4.691 4.170 0.001 0.000 0.287 243 I C 1.009 177.231 176.117 0.174 0.000 1.042 243 I CA -0.670 60.737 61.300 0.178 0.000 1.067 243 I CB 1.812 39.885 38.000 0.122 0.000 1.233 243 I HN 0.808 nan 8.210 nan 0.000 0.431 244 G N 4.285 113.146 108.800 0.101 0.000 2.390 244 G HA2 -0.128 3.832 3.960 0.001 0.000 0.299 244 G HA3 -0.128 3.832 3.960 0.001 0.000 0.299 244 G C 1.029 175.982 174.900 0.087 0.000 1.002 244 G CA 0.805 45.953 45.100 0.081 0.000 0.979 244 G HN 1.578 nan 8.290 nan 0.000 0.513 245 G N -1.797 107.054 108.800 0.085 0.000 2.184 245 G HA2 -0.262 3.699 3.960 0.001 0.000 0.264 245 G HA3 -0.262 3.699 3.960 0.001 0.000 0.264 245 G C 0.137 175.070 174.900 0.054 0.000 0.975 245 G CA 0.927 46.065 45.100 0.063 0.000 0.642 245 G HN 0.900 nan 8.290 nan 0.000 0.536 246 E N -0.211 120.043 120.200 0.090 0.000 2.191 246 E HA 0.543 4.894 4.350 0.001 0.000 0.274 246 E C 0.032 176.607 176.600 -0.041 0.000 0.948 246 E CA -0.732 55.662 56.400 -0.010 0.000 0.802 246 E CB 2.361 32.064 29.700 0.005 0.000 1.137 246 E HN 0.086 nan 8.360 nan 0.000 0.397 247 V N 3.656 123.434 119.914 -0.225 0.000 2.498 247 V HA 0.229 4.349 4.120 0.001 0.000 0.279 247 V C -0.724 175.130 176.094 -0.400 0.000 1.048 247 V CA 0.065 62.270 62.300 -0.159 0.000 0.967 247 V CB -0.118 31.574 31.823 -0.217 0.000 0.988 247 V HN 0.531 nan 8.190 nan 0.000 0.473 248 Y N 4.085 124.419 120.300 0.057 0.000 2.615 248 Y HA 0.472 5.022 4.550 0.001 0.000 0.341 248 Y C -2.371 173.572 175.900 0.071 0.000 1.089 248 Y CA -2.599 55.479 58.100 -0.038 0.000 1.049 248 Y CB 2.216 40.629 38.460 -0.077 0.000 1.296 248 Y HN 0.426 nan 8.280 nan 0.000 0.470 249 P HA 0.006 nan 4.420 nan 0.000 0.268 249 P C -2.488 175.036 177.300 0.373 0.000 1.208 249 P CA -0.664 62.570 63.100 0.223 0.000 0.777 249 P CB -0.036 31.752 31.700 0.148 0.000 0.875 250 P HA 0.035 nan 4.420 nan 0.000 0.275 250 P C -0.319 177.100 177.300 0.198 0.000 1.270 250 P CA 0.113 63.333 63.100 0.200 0.000 0.791 250 P CB 0.105 31.878 31.700 0.122 0.000 1.089 251 T N -3.823 110.775 114.554 0.074 0.000 2.944 251 T HA 0.249 4.599 4.350 0.001 0.000 0.284 251 T C 1.411 176.116 174.700 0.007 0.000 1.010 251 T CA -0.742 61.348 62.100 -0.016 0.000 1.025 251 T CB 0.330 69.136 68.868 -0.103 0.000 1.079 251 T HN 0.053 nan 8.240 nan 0.000 0.516 252 V N 1.442 121.348 119.914 -0.013 0.000 2.332 252 V HA -0.161 3.959 4.120 0.001 0.000 0.248 252 V C 2.848 178.934 176.094 -0.012 0.000 1.055 252 V CA 2.327 64.633 62.300 0.010 0.000 1.038 252 V CB -0.886 30.947 31.823 0.017 0.000 0.651 252 V HN 1.045 nan 8.190 nan 0.000 0.450 253 K N 0.218 120.591 120.400 -0.043 0.000 2.063 253 K HA -0.282 4.039 4.320 0.001 0.000 0.208 253 K C 1.920 178.507 176.600 -0.021 0.000 1.048 253 K CA 2.263 58.526 56.287 -0.039 0.000 0.928 253 K CB -0.319 32.145 32.500 -0.059 0.000 0.713 253 K HN 0.505 nan 8.250 nan 0.000 0.442 254 D N -0.575 119.815 120.400 -0.018 0.000 2.224 254 D HA -0.105 4.536 4.640 0.001 0.000 0.205 254 D C 1.683 177.990 176.300 0.011 0.000 0.965 254 D CA 1.773 55.770 54.000 -0.005 0.000 0.852 254 D CB 0.174 40.972 40.800 -0.005 0.000 0.947 254 D HN 0.472 nan 8.370 nan 0.000 0.494 255 T N -4.740 109.826 114.554 0.020 0.000 3.018 255 T HA 0.136 4.486 4.350 0.001 0.000 0.246 255 T C 1.040 175.758 174.700 0.031 0.000 1.026 255 T CA 0.413 62.534 62.100 0.034 0.000 1.081 255 T CB 0.212 69.109 68.868 0.048 0.000 0.970 255 T HN 0.003 nan 8.240 nan 0.000 0.475 256 Q N 0.179 119.992 119.800 0.022 0.000 2.374 256 Q HA -0.132 4.208 4.340 0.001 0.000 0.218 256 Q C 0.145 176.158 176.000 0.021 0.000 0.691 256 Q CA 0.802 56.616 55.803 0.017 0.000 1.340 256 Q CB -2.568 26.180 28.738 0.016 0.000 1.498 256 Q HN 0.915 nan 8.270 nan 0.000 0.739 257 V N -0.235 119.697 119.914 0.029 0.000 2.637 257 V HA 0.279 4.400 4.120 0.001 0.000 0.296 257 V C 0.517 176.625 176.094 0.024 0.000 1.046 257 V CA -0.349 61.965 62.300 0.024 0.000 1.066 257 V CB 1.182 33.022 31.823 0.028 0.000 0.968 257 V HN 0.215 nan 8.190 nan 0.000 0.483 258 E N 6.578 126.782 120.200 0.007 0.000 2.344 258 E HA 0.348 4.698 4.350 0.001 0.000 0.270 258 E C -0.467 176.131 176.600 -0.003 0.000 1.021 258 E CA -0.255 56.148 56.400 0.004 0.000 0.887 258 E CB 0.931 30.623 29.700 -0.013 0.000 0.997 258 E HN 0.629 nan 8.360 nan 0.000 0.429 259 M N 2.059 121.669 119.600 0.016 0.000 2.644 259 M HA 0.429 4.910 4.480 0.001 0.000 0.304 259 M C -0.404 175.840 176.300 -0.093 0.000 1.215 259 M CA -0.901 54.375 55.300 -0.041 0.000 0.871 259 M CB 1.722 34.355 32.600 0.056 0.000 1.740 259 M HN 0.430 nan 8.290 nan 0.000 0.464 260 I N 1.968 122.399 120.570 -0.231 0.000 2.291 260 I HA 0.265 4.435 4.170 0.001 0.000 0.290 260 I C -1.359 174.532 176.117 -0.376 0.000 1.050 260 I CA -0.121 61.060 61.300 -0.198 0.000 1.245 260 I CB 0.183 38.111 38.000 -0.120 0.000 1.405 260 I HN 0.462 nan 8.210 nan 0.000 0.478 261 Y N 6.773 127.040 120.300 -0.055 0.000 2.442 261 Y HA 0.432 4.982 4.550 0.001 0.000 0.344 261 Y C -1.969 173.814 175.900 -0.194 0.000 0.976 261 Y CA -2.283 55.749 58.100 -0.114 0.000 1.040 261 Y CB 1.775 40.164 38.460 -0.119 0.000 1.228 261 Y HN 0.417 nan 8.280 nan 0.000 0.451 262 P HA 0.050 nan 4.420 nan 0.000 0.269 262 P C -2.218 174.954 177.300 -0.214 0.000 1.209 262 P CA -1.196 61.752 63.100 -0.253 0.000 0.776 262 P CB 0.823 32.237 31.700 -0.478 0.000 0.876 263 P HA -0.196 nan 4.420 nan 0.000 0.219 263 P C 1.312 178.579 177.300 -0.055 0.000 1.146 263 P CA 1.628 64.695 63.100 -0.056 0.000 0.808 263 P CB -0.508 31.187 31.700 -0.008 0.000 0.779 264 H N -1.516 117.519 119.070 -0.058 0.000 2.556 264 H HA 0.086 4.642 4.556 0.001 0.000 0.268 264 H C 0.456 175.746 175.328 -0.064 0.000 0.996 264 H CA -0.238 55.779 56.048 -0.051 0.000 1.157 264 H CB -0.248 29.491 29.762 -0.037 0.000 1.355 264 H HN 0.028 nan 8.280 nan 0.000 0.597 265 I N 5.141 125.465 120.570 -0.411 0.000 2.452 265 I HA 0.125 4.296 4.170 0.001 0.000 0.287 265 I C -1.983 173.977 176.117 -0.261 0.000 1.079 265 I CA -2.498 58.590 61.300 -0.353 0.000 1.387 265 I CB 0.828 38.571 38.000 -0.428 0.000 1.404 265 I HN 0.102 nan 8.210 nan 0.000 0.522 266 P HA 0.102 nan 4.420 nan 0.000 0.268 266 P C 0.564 177.711 177.300 -0.255 0.000 1.205 266 P CA -0.150 62.841 63.100 -0.182 0.000 0.771 266 P CB 0.960 32.575 31.700 -0.141 0.000 0.858 267 E N 1.659 121.737 120.200 -0.204 0.000 2.219 267 E HA -0.229 4.122 4.350 0.001 0.000 0.198 267 E C 1.538 177.973 176.600 -0.275 0.000 0.998 267 E CA 1.280 57.549 56.400 -0.218 0.000 0.818 267 E CB -0.100 29.514 29.700 -0.144 0.000 0.741 267 E HN 0.564 nan 8.360 nan 0.000 0.477 268 N N 0.278 118.815 118.700 -0.271 0.000 2.461 268 N HA -0.101 4.639 4.740 0.001 0.000 0.188 268 N C 1.307 176.513 175.510 -0.506 0.000 1.134 268 N CA 0.493 53.359 53.050 -0.307 0.000 0.878 268 N CB 0.193 38.555 38.487 -0.208 0.000 0.972 268 N HN 0.238 nan 8.380 nan 0.000 0.456 269 L N -0.178 120.704 121.223 -0.569 0.000 2.766 269 L HA 0.211 4.552 4.340 0.001 0.000 0.242 269 L C 0.208 176.493 176.870 -0.975 0.000 1.136 269 L CA 0.010 54.393 54.840 -0.761 0.000 0.933 269 L CB 0.268 42.066 42.059 -0.434 0.000 1.241 269 L HN 0.005 nan 8.230 nan 0.000 0.522 270 Q N 1.031 120.307 119.800 -0.874 0.000 2.534 270 Q HA 0.191 4.531 4.340 0.001 0.000 0.223 270 Q C -0.857 174.903 176.000 -0.400 0.000 1.239 270 Q CA -0.132 55.105 55.803 -0.942 0.000 0.936 270 Q CB 0.033 28.384 28.738 -0.644 0.000 1.457 270 Q HN 0.135 nan 8.270 nan 0.000 0.547 271 F N 1.065 121.023 119.950 0.014 0.000 2.484 271 F HA 0.259 4.786 4.527 0.001 0.000 0.360 271 F C 0.790 176.713 175.800 0.205 0.000 1.101 271 F CA -0.669 57.404 58.000 0.122 0.000 1.251 271 F CB 0.746 39.821 39.000 0.126 0.000 1.132 271 F HN 0.362 nan 8.300 nan 0.000 0.570 272 A N 3.863 126.874 122.820 0.319 0.000 2.260 272 A HA 0.737 5.058 4.320 0.001 0.000 0.314 272 A C -0.580 177.098 177.584 0.157 0.000 1.257 272 A CA -0.482 51.674 52.037 0.199 0.000 0.871 272 A CB 0.476 19.555 19.000 0.131 0.000 1.166 272 A HN 0.731 nan 8.150 nan 0.000 0.522 273 V N -0.093 119.879 119.914 0.097 0.000 3.156 273 V HA 0.862 4.983 4.120 0.001 0.000 0.310 273 V C 1.150 177.204 176.094 -0.067 0.000 1.234 273 V CA -0.074 62.248 62.300 0.037 0.000 1.065 273 V CB 0.947 32.826 31.823 0.093 0.000 1.088 273 V HN 1.029 nan 8.190 nan 0.000 0.451 274 G N -0.749 107.971 108.800 -0.133 0.000 2.469 274 G HA2 -0.112 3.848 3.960 0.001 0.000 0.219 274 G HA3 -0.112 3.848 3.960 0.001 0.000 0.219 274 G C 0.706 175.438 174.900 -0.282 0.000 1.150 274 G CA 0.966 45.954 45.100 -0.186 0.000 0.763 274 G HN 0.689 nan 8.290 nan 0.000 0.561 275 Q N 0.227 119.715 119.800 -0.520 0.000 2.325 275 Q HA 0.185 4.525 4.340 0.001 0.000 0.262 275 Q C 1.159 176.850 176.000 -0.514 0.000 0.968 275 Q CA -0.230 55.128 55.803 -0.741 0.000 0.877 275 Q CB 1.754 29.429 28.738 -1.772 0.000 1.253 275 Q HN 0.729 nan 8.270 nan 0.000 0.448 276 E N 1.882 121.902 120.200 -0.300 0.000 2.409 276 E HA -0.100 4.250 4.350 0.001 0.000 0.198 276 E C 0.973 177.482 176.600 -0.153 0.000 1.024 276 E CA 0.594 56.887 56.400 -0.179 0.000 0.861 276 E CB 0.237 29.861 29.700 -0.127 0.000 0.788 276 E HN 0.249 nan 8.360 nan 0.000 0.521 277 V N 0.051 119.897 119.914 -0.112 0.000 3.660 277 V HA 0.015 4.136 4.120 0.001 0.000 0.276 277 V C 0.686 176.902 176.094 0.203 0.000 1.317 277 V CA 0.025 62.346 62.300 0.036 0.000 1.097 277 V CB -0.365 31.529 31.823 0.119 0.000 0.863 277 V HN 0.210 nan 8.190 nan 0.000 0.438 278 F N 1.179 121.091 119.950 -0.063 0.000 2.546 278 F HA 0.147 4.674 4.527 0.001 0.000 0.298 278 F C 2.240 178.014 175.800 -0.044 0.000 1.120 278 F CA 0.727 58.709 58.000 -0.030 0.000 1.456 278 F CB -1.246 37.762 39.000 0.014 0.000 1.088 278 F HN 0.301 nan 8.300 nan 0.000 0.572 279 G N -0.766 108.068 108.800 0.056 0.000 2.744 279 G HA2 -0.058 3.903 3.960 0.001 0.000 0.211 279 G HA3 -0.058 3.903 3.960 0.001 0.000 0.211 279 G C 1.691 176.628 174.900 0.063 0.000 1.143 279 G CA -0.008 45.117 45.100 0.043 0.000 0.788 279 G HN 0.254 nan 8.290 nan 0.000 0.534 280 L N 0.276 121.510 121.223 0.018 0.000 2.341 280 L HA 0.162 4.503 4.340 0.001 0.000 0.214 280 L C 0.120 176.928 176.870 -0.104 0.000 1.115 280 L CA 0.842 55.723 54.840 0.067 0.000 0.820 280 L CB 0.177 42.300 42.059 0.105 0.000 0.944 280 L HN -0.013 nan 8.230 nan 0.000 0.452 281 V N -0.743 119.080 119.914 -0.151 0.000 2.525 281 V HA 0.243 4.364 4.120 0.001 0.000 0.299 281 V C -1.815 174.023 176.094 -0.426 0.000 1.034 281 V CA -1.003 61.097 62.300 -0.334 0.000 0.863 281 V CB 1.638 33.345 31.823 -0.192 0.000 0.999 281 V HN -0.124 nan 8.190 nan 0.000 0.423 282 P HA -0.076 nan 4.420 nan 0.000 0.221 282 P C 1.588 178.676 177.300 -0.353 0.000 1.145 282 P CA 1.419 64.222 63.100 -0.496 0.000 0.795 282 P CB 0.314 31.651 31.700 -0.605 0.000 0.775 283 G N -0.511 107.929 108.800 -0.600 0.000 2.408 283 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 283 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 283 G C 1.303 175.936 174.900 -0.444 0.000 1.150 283 G CA 0.466 44.990 45.100 -0.960 0.000 0.776 283 G HN 0.141 nan 8.290 nan 0.000 0.542 284 L N -0.182 120.822 121.223 -0.366 0.000 2.027 284 L HA 0.138 4.478 4.340 0.001 0.000 0.206 284 L C 2.728 179.481 176.870 -0.196 0.000 1.074 284 L CA 1.440 56.106 54.840 -0.290 0.000 0.745 284 L CB -0.822 40.969 42.059 -0.446 0.000 0.898 284 L HN 0.200 nan 8.230 nan 0.000 0.433 285 M N -1.423 118.067 119.600 -0.183 0.000 2.279 285 M HA -0.204 4.277 4.480 0.001 0.000 0.264 285 M C 2.159 178.326 176.300 -0.222 0.000 1.062 285 M CA 1.457 56.671 55.300 -0.143 0.000 1.099 285 M CB -0.451 32.049 32.600 -0.165 0.000 1.394 285 M HN 0.279 nan 8.290 nan 0.000 0.426 286 M N -1.383 118.043 119.600 -0.289 0.000 2.065 286 M HA -0.277 4.204 4.480 0.001 0.000 0.259 286 M C 1.725 177.829 176.300 -0.328 0.000 1.071 286 M CA 2.007 57.098 55.300 -0.347 0.000 1.109 286 M CB -0.429 31.989 32.600 -0.302 0.000 1.313 286 M HN 0.263 nan 8.290 nan 0.000 0.408 287 Y N 0.316 120.455 120.300 -0.268 0.000 2.242 287 Y HA -0.087 4.464 4.550 0.001 0.000 0.291 287 Y C 2.655 178.371 175.900 -0.306 0.000 1.137 287 Y CA 1.533 59.393 58.100 -0.399 0.000 1.181 287 Y CB -1.024 36.966 38.460 -0.782 0.000 0.989 287 Y HN 0.410 nan 8.280 nan 0.000 0.527 288 A N -0.711 122.084 122.820 -0.042 0.000 1.940 288 A HA -0.210 4.110 4.320 0.001 0.000 0.219 288 A C 2.294 179.915 177.584 0.062 0.000 1.176 288 A CA 2.379 54.525 52.037 0.181 0.000 0.631 288 A CB -1.148 18.003 19.000 0.252 0.000 0.814 288 A HN 0.414 nan 8.150 nan 0.000 0.446 289 T N 0.072 114.586 114.554 -0.068 0.000 2.812 289 T HA -0.005 4.346 4.350 0.001 0.000 0.264 289 T C 1.803 176.420 174.700 -0.139 0.000 1.042 289 T CA 1.274 63.295 62.100 -0.132 0.000 1.140 289 T CB -0.348 68.377 68.868 -0.237 0.000 0.870 289 T HN 0.418 nan 8.240 nan 0.000 0.445 290 I N -0.636 119.830 120.570 -0.173 0.000 2.208 290 I HA -0.198 3.973 4.170 0.001 0.000 0.245 290 I C 2.169 178.184 176.117 -0.170 0.000 1.097 290 I CA 1.542 62.706 61.300 -0.226 0.000 1.363 290 I CB -0.269 37.543 38.000 -0.314 0.000 1.051 290 I HN 0.353 nan 8.210 nan 0.000 0.413 291 W N 0.443 121.719 121.300 -0.039 0.000 2.453 291 W HA -0.060 4.601 4.660 0.001 0.000 0.289 291 W C 2.446 178.950 176.519 -0.026 0.000 1.215 291 W CA 0.333 57.670 57.345 -0.013 0.000 1.297 291 W CB -0.193 29.254 29.460 -0.022 0.000 1.113 291 W HN 0.074 nan 8.180 nan 0.000 0.551 292 L N 0.736 122.055 121.223 0.161 0.000 2.012 292 L HA -0.252 4.088 4.340 0.001 0.000 0.210 292 L C 2.513 179.432 176.870 0.082 0.000 1.073 292 L CA 1.765 56.661 54.840 0.094 0.000 0.748 292 L CB -0.312 41.774 42.059 0.046 0.000 0.891 292 L HN -0.090 nan 8.230 nan 0.000 0.431 293 R N -0.271 120.220 120.500 -0.015 0.000 2.081 293 R HA -0.237 4.104 4.340 0.001 0.000 0.235 293 R C 2.203 178.495 176.300 -0.014 0.000 1.131 293 R CA 1.662 57.716 56.100 -0.077 0.000 0.960 293 R CB -0.330 29.879 30.300 -0.152 0.000 0.856 293 R HN 0.391 nan 8.270 nan 0.000 0.436 294 E N -0.272 119.942 120.200 0.024 0.000 2.085 294 E HA -0.256 4.094 4.350 0.001 0.000 0.194 294 E C 1.738 178.430 176.600 0.153 0.000 0.994 294 E CA 1.942 58.379 56.400 0.063 0.000 0.801 294 E CB -0.227 29.511 29.700 0.063 0.000 0.743 294 E HN 0.515 nan 8.360 nan 0.000 0.453 295 H N -0.206 118.959 119.070 0.158 0.000 2.321 295 H HA -0.041 4.515 4.556 0.001 0.000 0.300 295 H C 1.646 177.057 175.328 0.138 0.000 1.087 295 H CA 2.226 58.387 56.048 0.189 0.000 1.319 295 H CB -0.149 29.755 29.762 0.238 0.000 1.379 295 H HN 0.140 nan 8.280 nan 0.000 0.501 296 N N 0.303 119.083 118.700 0.133 0.000 2.244 296 N HA -0.125 4.615 4.740 0.001 0.000 0.183 296 N C 2.003 177.496 175.510 -0.027 0.000 1.016 296 N CA 0.901 53.980 53.050 0.049 0.000 0.866 296 N CB -0.361 38.144 38.487 0.030 0.000 0.980 296 N HN 0.420 nan 8.380 nan 0.000 0.430 297 R N 0.862 121.346 120.500 -0.026 0.000 2.070 297 R HA -0.057 4.284 4.340 0.001 0.000 0.233 297 R C 1.730 178.019 176.300 -0.018 0.000 1.137 297 R CA 1.184 57.268 56.100 -0.028 0.000 0.945 297 R CB -0.310 29.973 30.300 -0.029 0.000 0.845 297 R HN -0.020 nan 8.270 nan 0.000 0.430 298 V N 0.433 120.335 119.914 -0.021 0.000 2.490 298 V HA -0.323 3.798 4.120 0.001 0.000 0.250 298 V C 2.559 178.644 176.094 -0.015 0.000 1.061 298 V CA 1.660 63.957 62.300 -0.005 0.000 1.064 298 V CB -0.500 31.335 31.823 0.020 0.000 0.670 298 V HN 0.541 nan 8.190 nan 0.000 0.461 299 C N 0.054 119.307 119.300 -0.077 0.000 2.413 299 C HA -0.179 4.282 4.460 0.001 0.000 0.276 299 C C 2.525 177.542 174.990 0.045 0.000 1.236 299 C CA 1.096 60.107 59.018 -0.012 0.000 1.735 299 C CB -1.039 26.693 27.740 -0.014 0.000 2.031 299 C HN 0.607 nan 8.230 nan 0.000 0.474 300 D N 0.572 120.987 120.400 0.025 0.000 2.144 300 D HA -0.065 4.576 4.640 0.001 0.000 0.199 300 D C 1.920 178.235 176.300 0.024 0.000 0.984 300 D CA 1.102 55.120 54.000 0.029 0.000 0.834 300 D CB -0.352 40.456 40.800 0.014 0.000 0.955 300 D HN 0.483 nan 8.370 nan 0.000 0.465 301 I N 0.551 121.134 120.570 0.021 0.000 2.202 301 I HA -0.228 3.943 4.170 0.001 0.000 0.242 301 I C 2.458 178.589 176.117 0.025 0.000 1.091 301 I CA 0.681 61.991 61.300 0.017 0.000 1.368 301 I CB -0.106 37.908 38.000 0.024 0.000 1.058 301 I HN -0.039 nan 8.210 nan 0.000 0.410 302 L N 0.522 121.788 121.223 0.071 0.000 2.083 302 L HA -0.235 4.105 4.340 0.001 0.000 0.209 302 L C 2.625 179.541 176.870 0.077 0.000 1.083 302 L CA 1.398 56.310 54.840 0.119 0.000 0.752 302 L CB -0.530 41.673 42.059 0.240 0.000 0.899 302 L HN 0.235 nan 8.230 nan 0.000 0.433 303 K N 0.121 120.574 120.400 0.088 0.000 2.057 303 K HA -0.286 4.035 4.320 0.001 0.000 0.207 303 K C 2.186 178.782 176.600 -0.007 0.000 1.049 303 K CA 1.693 58.026 56.287 0.077 0.000 0.931 303 K CB -0.013 32.541 32.500 0.089 0.000 0.714 303 K HN 0.091 nan 8.250 nan 0.000 0.440 304 Q N 0.861 120.647 119.800 -0.025 0.000 2.077 304 Q HA -0.198 4.143 4.340 0.001 0.000 0.206 304 Q C 1.637 177.551 176.000 -0.144 0.000 0.989 304 Q CA 2.017 57.783 55.803 -0.061 0.000 0.853 304 Q CB 0.039 28.749 28.738 -0.046 0.000 0.907 304 Q HN 0.307 nan 8.270 nan 0.000 0.418 305 E N -0.724 119.343 120.200 -0.221 0.000 2.285 305 E HA -0.068 4.282 4.350 0.001 0.000 0.194 305 E C 0.090 176.210 176.600 -0.800 0.000 0.997 305 E CA 0.715 56.828 56.400 -0.478 0.000 0.845 305 E CB 0.253 29.632 29.700 -0.534 0.000 0.782 305 E HN 0.482 nan 8.360 nan 0.000 0.491 306 H N -0.156 118.699 119.070 -0.359 0.000 2.429 306 H HA 0.163 4.719 4.556 0.001 0.000 0.231 306 H C -1.870 173.323 175.328 -0.225 0.000 1.416 306 H CA -1.487 54.238 56.048 -0.538 0.000 1.443 306 H CB 1.209 30.130 29.762 -1.402 0.000 1.591 306 H HN -0.009 nan 8.280 nan 0.000 0.507 307 P HA -0.108 nan 4.420 nan 0.000 0.225 307 P C 0.710 178.062 177.300 0.087 0.000 1.148 307 P CA 0.888 64.003 63.100 0.025 0.000 0.779 307 P CB 0.437 32.135 31.700 -0.003 0.000 0.780 308 E N -2.158 118.101 120.200 0.099 0.000 2.427 308 E HA -0.057 4.294 4.350 0.001 0.000 0.196 308 E C 0.344 177.150 176.600 0.343 0.000 1.028 308 E CA 0.300 56.810 56.400 0.184 0.000 0.864 308 E CB -0.604 29.212 29.700 0.193 0.000 0.813 308 E HN 0.250 nan 8.360 nan 0.000 0.514 309 W N 1.592 122.944 121.300 0.087 0.000 2.313 309 W HA 0.599 5.260 4.660 0.000 0.000 0.328 309 W C 1.060 177.615 176.519 0.061 0.000 1.197 309 W CA -1.232 56.148 57.345 0.059 0.000 1.235 309 W CB 0.772 30.263 29.460 0.051 0.000 1.158 309 W HN -0.021 nan 8.180 nan 0.000 0.578 310 G N 0.922 109.841 108.800 0.199 0.000 2.557 310 G HA2 0.089 4.049 3.960 0.001 0.000 0.292 310 G HA3 0.089 4.049 3.960 0.001 0.000 0.292 310 G C 0.390 175.369 174.900 0.131 0.000 1.237 310 G CA -0.173 45.005 45.100 0.130 0.000 0.978 310 G HN 0.497 nan 8.290 nan 0.000 0.498 311 D N -1.013 119.464 120.400 0.129 0.000 2.123 311 D HA -0.159 4.481 4.640 0.001 0.000 0.196 311 D C 2.022 178.408 176.300 0.143 0.000 0.992 311 D CA 1.515 55.604 54.000 0.149 0.000 0.833 311 D CB 0.175 41.072 40.800 0.161 0.000 0.954 311 D HN 0.301 nan 8.370 nan 0.000 0.455 312 E N 0.128 120.388 120.200 0.099 0.000 2.038 312 E HA -0.234 4.116 4.350 0.001 0.000 0.195 312 E C 2.050 178.693 176.600 0.073 0.000 1.000 312 E CA 1.020 57.479 56.400 0.100 0.000 0.803 312 E CB -0.464 29.267 29.700 0.051 0.000 0.750 312 E HN 0.552 nan 8.360 nan 0.000 0.448 313 Q N 0.170 119.916 119.800 -0.089 0.000 2.119 313 Q HA -0.091 4.249 4.340 0.001 0.000 0.201 313 Q C 2.441 178.319 176.000 -0.204 0.000 0.972 313 Q CA 0.891 56.496 55.803 -0.329 0.000 0.847 313 Q CB -0.061 28.203 28.738 -0.791 0.000 0.903 313 Q HN 0.216 nan 8.270 nan 0.000 0.433 314 L N -0.148 121.103 121.223 0.046 0.000 2.046 314 L HA -0.157 4.183 4.340 0.001 0.000 0.208 314 L C 2.312 179.291 176.870 0.182 0.000 1.077 314 L CA 1.240 56.218 54.840 0.230 0.000 0.747 314 L CB -0.472 41.758 42.059 0.285 0.000 0.896 314 L HN 0.340 nan 8.230 nan 0.000 0.432 315 F N 0.399 120.393 119.950 0.072 0.000 2.113 315 F HA -0.228 4.299 4.527 0.001 0.000 0.297 315 F C 2.697 178.543 175.800 0.076 0.000 1.103 315 F CA 1.490 59.563 58.000 0.122 0.000 1.248 315 F CB -0.191 38.843 39.000 0.057 0.000 0.999 315 F HN 0.017 nan 8.300 nan 0.000 0.475 316 Q N 0.112 119.889 119.800 -0.039 0.000 2.079 316 Q HA -0.130 4.211 4.340 0.001 0.000 0.200 316 Q C 2.250 178.155 176.000 -0.157 0.000 0.974 316 Q CA 2.172 57.868 55.803 -0.179 0.000 0.840 316 Q CB -1.145 27.585 28.738 -0.013 0.000 0.898 316 Q HN 0.428 nan 8.270 nan 0.000 0.430 317 T N 1.156 115.668 114.554 -0.069 0.000 2.708 317 T HA -0.098 4.252 4.350 0.001 0.000 0.266 317 T C 2.188 176.946 174.700 0.097 0.000 1.037 317 T CA 1.512 63.640 62.100 0.047 0.000 1.146 317 T CB -0.191 68.755 68.868 0.130 0.000 0.865 317 T HN 0.213 nan 8.240 nan 0.000 0.435 318 S N 0.926 116.642 115.700 0.026 0.000 2.359 318 S HA -0.145 4.326 4.470 0.001 0.000 0.224 318 S C 2.082 176.726 174.600 0.073 0.000 1.035 318 S CA 1.267 59.475 58.200 0.014 0.000 1.018 318 S CB -0.299 62.767 63.200 -0.224 0.000 0.876 318 S HN 0.458 nan 8.310 nan 0.000 0.448 319 R N 1.006 121.434 120.500 -0.120 0.000 2.091 319 R HA -0.037 4.304 4.340 0.001 0.000 0.238 319 R C 2.205 178.542 176.300 0.062 0.000 1.136 319 R CA 1.202 57.202 56.100 -0.168 0.000 0.959 319 R CB -0.426 29.421 30.300 -0.756 0.000 0.856 319 R HN 0.354 nan 8.270 nan 0.000 0.437 320 L N 0.452 121.741 121.223 0.109 0.000 2.042 320 L HA -0.222 4.118 4.340 0.001 0.000 0.210 320 L C 2.492 179.605 176.870 0.404 0.000 1.076 320 L CA 1.390 56.417 54.840 0.312 0.000 0.749 320 L CB -0.369 41.920 42.059 0.383 0.000 0.893 320 L HN 0.328 nan 8.230 nan 0.000 0.432 321 I N -0.701 120.070 120.570 0.336 0.000 2.179 321 I HA -0.311 3.860 4.170 0.001 0.000 0.242 321 I C 2.329 178.571 176.117 0.209 0.000 1.088 321 I CA 1.098 62.528 61.300 0.216 0.000 1.357 321 I CB -0.125 37.995 38.000 0.201 0.000 1.051 321 I HN 0.191 nan 8.210 nan 0.000 0.409 322 L N 0.281 121.656 121.223 0.253 0.000 2.131 322 L HA -0.176 4.164 4.340 0.001 0.000 0.210 322 L C 2.266 179.238 176.870 0.170 0.000 1.092 322 L CA 1.714 56.724 54.840 0.283 0.000 0.759 322 L CB -0.570 41.692 42.059 0.337 0.000 0.903 322 L HN 0.176 nan 8.230 nan 0.000 0.435 323 I N -1.049 119.631 120.570 0.182 0.000 2.226 323 I HA -0.227 3.944 4.170 0.001 0.000 0.245 323 I C 2.496 178.715 176.117 0.171 0.000 1.100 323 I CA 1.397 62.792 61.300 0.158 0.000 1.374 323 I CB -0.885 37.233 38.000 0.197 0.000 1.057 323 I HN 0.333 nan 8.210 nan 0.000 0.413 324 G N 0.278 109.212 108.800 0.223 0.000 2.421 324 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 324 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 324 G C 1.504 176.512 174.900 0.180 0.000 1.171 324 G CA 0.550 45.799 45.100 0.248 0.000 0.775 324 G HN 0.393 nan 8.290 nan 0.000 0.543 325 E N -0.074 120.248 120.200 0.203 0.000 2.058 325 E HA -0.136 4.214 4.350 0.001 0.000 0.194 325 E C 2.773 179.529 176.600 0.259 0.000 0.997 325 E CA 1.586 58.139 56.400 0.254 0.000 0.801 325 E CB -0.338 29.590 29.700 0.381 0.000 0.746 325 E HN 0.346 nan 8.360 nan 0.000 0.450 326 T N 1.479 116.172 114.554 0.231 0.000 2.746 326 T HA -0.129 4.221 4.350 0.001 0.000 0.267 326 T C 2.003 176.709 174.700 0.010 0.000 1.039 326 T CA 0.945 63.144 62.100 0.165 0.000 1.142 326 T CB -0.177 68.672 68.868 -0.031 0.000 0.866 326 T HN 0.123 nan 8.240 nan 0.000 0.444 327 I N 0.750 121.253 120.570 -0.111 0.000 2.252 327 I HA -0.153 4.017 4.170 0.001 0.000 0.245 327 I C 2.548 178.312 176.117 -0.588 0.000 1.102 327 I CA 1.100 62.171 61.300 -0.382 0.000 1.385 327 I CB -0.288 37.358 38.000 -0.591 0.000 1.064 327 I HN 0.143 nan 8.210 nan 0.000 0.414 328 K N 1.954 122.057 120.400 -0.495 0.000 2.009 328 K HA -0.149 4.172 4.320 0.001 0.000 0.210 328 K C 1.888 178.469 176.600 -0.031 0.000 1.049 328 K CA 1.833 58.007 56.287 -0.187 0.000 0.929 328 K CB -0.393 32.178 32.500 0.118 0.000 0.714 328 K HN 0.238 nan 8.250 nan 0.000 0.440 329 I N 0.122 120.713 120.570 0.035 0.000 2.394 329 I HA -0.218 3.952 4.170 0.001 0.000 0.251 329 I C 2.015 178.157 176.117 0.042 0.000 1.136 329 I CA 0.712 62.059 61.300 0.079 0.000 1.425 329 I CB -0.105 38.000 38.000 0.175 0.000 1.079 329 I HN -0.002 nan 8.210 nan 0.000 0.425 330 V N 1.116 121.001 119.914 -0.048 0.000 2.307 330 V HA -0.254 3.866 4.120 0.001 0.000 0.245 330 V C 2.262 178.398 176.094 0.070 0.000 1.045 330 V CA 1.822 64.056 62.300 -0.111 0.000 1.024 330 V CB -0.264 31.329 31.823 -0.383 0.000 0.651 330 V HN 0.306 nan 8.190 nan 0.000 0.449 331 I N -0.435 120.143 120.570 0.013 0.000 2.233 331 I HA -0.174 3.996 4.170 0.001 0.000 0.243 331 I C 2.416 178.590 176.117 0.094 0.000 1.093 331 I CA 1.582 62.927 61.300 0.074 0.000 1.380 331 I CB -0.234 37.800 38.000 0.057 0.000 1.067 331 I HN 0.329 nan 8.210 nan 0.000 0.413 332 E N -0.061 120.189 120.200 0.083 0.000 2.400 332 E HA -0.090 4.260 4.350 0.001 0.000 0.195 332 E C 1.028 177.681 176.600 0.088 0.000 1.012 332 E CA 0.490 56.933 56.400 0.072 0.000 0.875 332 E CB 0.338 30.080 29.700 0.069 0.000 0.859 332 E HN 0.461 nan 8.360 nan 0.000 0.498 333 D N -0.787 119.702 120.400 0.148 0.000 2.856 333 D HA -0.043 4.598 4.640 0.001 0.000 0.283 333 D C 1.461 178.006 176.300 0.409 0.000 1.051 333 D CA 0.238 54.383 54.000 0.241 0.000 0.965 333 D CB -0.162 40.766 40.800 0.213 0.000 1.201 333 D HN 0.047 nan 8.370 nan 0.000 0.474 334 Y N 2.483 122.886 120.300 0.172 0.000 2.084 334 Y HA -0.183 4.368 4.550 0.001 0.000 0.279 334 Y C 2.275 178.244 175.900 0.115 0.000 1.119 334 Y CA 1.511 59.584 58.100 -0.044 0.000 1.101 334 Y CB -0.493 37.809 38.460 -0.264 0.000 0.989 334 Y HN -0.283 nan 8.280 nan 0.000 0.484 335 V N 0.889 120.966 119.914 0.272 0.000 2.392 335 V HA -0.325 3.795 4.120 0.001 0.000 0.249 335 V C 2.335 178.415 176.094 -0.023 0.000 1.059 335 V CA 2.110 64.489 62.300 0.133 0.000 1.051 335 V CB -0.921 31.021 31.823 0.199 0.000 0.658 335 V HN 0.470 nan 8.190 nan 0.000 0.455 336 Q N 0.787 120.602 119.800 0.026 0.000 2.062 336 Q HA -0.305 4.036 4.340 0.001 0.000 0.209 336 Q C 2.139 178.087 176.000 -0.087 0.000 0.996 336 Q CA 2.800 58.586 55.803 -0.029 0.000 0.859 336 Q CB -0.678 28.080 28.738 0.034 0.000 0.920 336 Q HN 0.867 nan 8.270 nan 0.000 0.415 337 H N -1.061 117.949 119.070 -0.100 0.000 2.389 337 H HA -0.062 4.494 4.556 0.001 0.000 0.299 337 H C 1.560 176.693 175.328 -0.326 0.000 1.081 337 H CA 1.510 57.458 56.048 -0.166 0.000 1.345 337 H CB -0.265 29.444 29.762 -0.088 0.000 1.393 337 H HN 0.324 nan 8.280 nan 0.000 0.520 338 L N 0.667 121.559 121.223 -0.551 0.000 2.027 338 L HA -0.139 4.201 4.340 0.001 0.000 0.206 338 L C 2.774 179.302 176.870 -0.570 0.000 1.074 338 L CA 1.978 56.423 54.840 -0.658 0.000 0.745 338 L CB -1.155 40.706 42.059 -0.330 0.000 0.898 338 L HN 0.597 nan 8.230 nan 0.000 0.433 339 S N -0.836 114.567 115.700 -0.495 0.000 2.382 339 S HA -0.043 4.428 4.470 0.001 0.000 0.228 339 S C 1.788 176.076 174.600 -0.519 0.000 1.027 339 S CA 0.916 58.701 58.200 -0.691 0.000 0.991 339 S CB -0.900 61.576 63.200 -1.208 0.000 0.823 339 S HN 0.660 nan 8.310 nan 0.000 0.469 340 G N -0.104 108.441 108.800 -0.426 0.000 2.155 340 G HA2 -0.262 3.698 3.960 0.001 0.000 0.257 340 G HA3 -0.262 3.698 3.960 0.001 0.000 0.257 340 G C -0.089 174.662 174.900 -0.250 0.000 0.983 340 G CA 0.444 45.356 45.100 -0.314 0.000 0.676 340 G HN 0.527 nan 8.290 nan 0.000 0.528 341 Y N -0.170 119.940 120.300 -0.317 0.000 2.480 341 Y HA 0.369 4.920 4.550 0.001 0.000 0.338 341 Y C 1.747 177.412 175.900 -0.392 0.000 1.220 341 Y CA -0.089 57.781 58.100 -0.383 0.000 1.430 341 Y CB 0.317 38.636 38.460 -0.236 0.000 1.311 341 Y HN 0.323 nan 8.280 nan 0.000 0.575 342 H N 0.858 119.804 119.070 -0.207 0.000 2.525 342 H HA 0.013 4.570 4.556 0.001 0.000 0.275 342 H C 0.040 175.277 175.328 -0.152 0.000 0.984 342 H CA -0.174 55.779 56.048 -0.160 0.000 1.264 342 H CB 0.215 29.934 29.762 -0.072 0.000 1.432 342 H HN 0.405 nan 8.280 nan 0.000 0.549 343 F N 2.720 122.367 119.950 -0.505 0.000 2.538 343 F HA 0.110 4.637 4.527 0.001 0.000 0.371 343 F C 0.348 176.110 175.800 -0.064 0.000 1.087 343 F CA -0.623 57.178 58.000 -0.333 0.000 1.250 343 F CB 0.463 39.030 39.000 -0.721 0.000 1.110 343 F HN -0.223 nan 8.300 nan 0.000 0.570 344 K N 7.885 127.852 120.400 -0.721 0.000 2.273 344 K HA 0.286 4.607 4.320 0.001 0.000 0.287 344 K C -0.474 175.591 176.600 -0.892 0.000 1.089 344 K CA -0.434 55.517 56.287 -0.560 0.000 0.909 344 K CB 0.225 32.560 32.500 -0.274 0.000 1.123 344 K HN 0.731 nan 8.250 nan 0.000 0.473 345 L N 3.452 124.375 121.223 -0.500 0.000 2.483 345 L HA 0.097 4.437 4.340 0.001 0.000 0.275 345 L C 0.399 177.187 176.870 -0.137 0.000 1.220 345 L CA 0.541 55.225 54.840 -0.260 0.000 0.833 345 L CB 0.382 42.429 42.059 -0.020 0.000 1.102 345 L HN 0.539 nan 8.230 nan 0.000 0.490 346 K N 1.959 122.352 120.400 -0.011 0.000 2.427 346 K HA 0.332 4.653 4.320 0.001 0.000 0.252 346 K C -1.363 175.320 176.600 0.139 0.000 0.931 346 K CA -0.737 55.578 56.287 0.048 0.000 0.793 346 K CB 1.699 34.216 32.500 0.029 0.000 1.211 346 K HN 0.265 nan 8.250 nan 0.000 0.426 347 F N 4.358 124.297 119.950 -0.018 0.000 2.368 347 F HA 0.319 4.846 4.527 0.001 0.000 0.362 347 F C -0.903 174.848 175.800 -0.082 0.000 1.137 347 F CA -0.805 57.167 58.000 -0.047 0.000 1.161 347 F CB 0.492 39.480 39.000 -0.019 0.000 1.265 347 F HN 0.427 nan 8.300 nan 0.000 0.530 348 D N 8.383 128.512 120.400 -0.451 0.000 2.328 348 D HA 0.322 4.963 4.640 0.001 0.000 0.243 348 D C -2.281 173.619 176.300 -0.666 0.000 1.324 348 D CA -1.918 51.756 54.000 -0.543 0.000 0.966 348 D CB 1.861 42.531 40.800 -0.217 0.000 1.324 348 D HN 0.159 nan 8.370 nan 0.000 0.549 349 P HA -0.133 nan 4.420 nan 0.000 0.217 349 P C 0.859 177.488 177.300 -1.118 0.000 1.148 349 P CA 1.034 63.546 63.100 -0.981 0.000 0.828 349 P CB 0.350 31.217 31.700 -1.389 0.000 0.783 350 E N -0.578 118.986 120.200 -1.061 0.000 2.267 350 E HA -0.133 4.218 4.350 0.001 0.000 0.197 350 E C 1.760 177.976 176.600 -0.640 0.000 0.998 350 E CA 0.708 56.395 56.400 -1.187 0.000 0.830 350 E CB -0.586 28.939 29.700 -0.292 0.000 0.751 350 E HN 0.347 nan 8.360 nan 0.000 0.491 351 L N 0.352 121.328 121.223 -0.412 0.000 2.362 351 L HA -0.116 4.224 4.340 0.001 0.000 0.219 351 L C 1.956 178.734 176.870 -0.154 0.000 1.134 351 L CA 0.644 55.369 54.840 -0.191 0.000 0.807 351 L CB -0.123 41.856 42.059 -0.134 0.000 0.927 351 L HN 0.160 nan 8.230 nan 0.000 0.447 352 L N -2.203 118.881 121.223 -0.232 0.000 2.693 352 L HA 0.098 4.439 4.340 0.001 0.000 0.235 352 L C 1.899 178.898 176.870 0.214 0.000 1.127 352 L CA -0.074 54.717 54.840 -0.082 0.000 0.914 352 L CB -0.022 41.882 42.059 -0.260 0.000 1.193 352 L HN 0.163 nan 8.230 nan 0.000 0.502 353 F N 1.472 121.483 119.950 0.103 0.000 2.234 353 F HA -0.145 4.383 4.527 0.001 0.000 0.299 353 F C 1.660 177.537 175.800 0.129 0.000 1.087 353 F CA 0.542 58.630 58.000 0.148 0.000 1.340 353 F CB 0.065 39.148 39.000 0.138 0.000 1.031 353 F HN 0.397 nan 8.300 nan 0.000 0.500 354 N N -0.086 118.789 118.700 0.290 0.000 2.376 354 N HA 0.101 4.842 4.740 0.001 0.000 0.249 354 N C -0.607 174.995 175.510 0.153 0.000 1.140 354 N CA -0.048 53.119 53.050 0.194 0.000 0.870 354 N CB 0.184 38.766 38.487 0.159 0.000 1.124 354 N HN 0.184 nan 8.380 nan 0.000 0.505 355 Q N -0.100 119.801 119.800 0.168 0.000 2.451 355 Q HA 0.391 4.731 4.340 0.001 0.000 0.281 355 Q C -1.252 174.841 176.000 0.155 0.000 1.099 355 Q CA -0.557 55.326 55.803 0.132 0.000 0.806 355 Q CB 1.866 30.661 28.738 0.094 0.000 1.419 355 Q HN 0.277 nan 8.270 nan 0.000 0.427 356 Q N 1.557 121.438 119.800 0.134 0.000 2.295 356 Q HA 0.545 4.886 4.340 0.001 0.000 0.259 356 Q C -1.284 174.830 176.000 0.190 0.000 0.976 356 Q CA -0.009 55.873 55.803 0.131 0.000 0.923 356 Q CB 0.769 29.559 28.738 0.087 0.000 1.185 356 Q HN 0.522 nan 8.270 nan 0.000 0.410 357 F N 1.190 121.094 119.950 -0.076 0.000 2.690 357 F HA 0.134 4.662 4.527 0.001 0.000 0.311 357 F C -1.662 173.967 175.800 -0.285 0.000 1.111 357 F CA -0.810 57.075 58.000 -0.192 0.000 1.003 357 F CB 1.575 40.410 39.000 -0.275 0.000 1.283 357 F HN 0.289 nan 8.300 nan 0.000 0.442 358 Q N 5.346 124.528 119.800 -1.029 0.000 2.368 358 Q HA 0.220 4.560 4.340 0.001 0.000 0.256 358 Q C -1.318 174.230 176.000 -0.753 0.000 0.980 358 Q CA -0.334 55.076 55.803 -0.655 0.000 0.887 358 Q CB 1.127 29.607 28.738 -0.429 0.000 1.221 358 Q HN 0.685 nan 8.270 nan 0.000 0.458 359 Y N 3.177 123.411 120.300 -0.110 0.000 2.532 359 Y HA 0.045 4.596 4.550 0.001 0.000 0.337 359 Y C 0.786 176.673 175.900 -0.021 0.000 1.274 359 Y CA -0.058 58.066 58.100 0.040 0.000 1.817 359 Y CB 0.153 38.706 38.460 0.155 0.000 1.769 359 Y HN 0.428 nan 8.280 nan 0.000 0.447 360 Q N 0.650 120.449 119.800 -0.002 0.000 2.666 360 Q HA 0.450 4.790 4.340 0.001 0.000 0.276 360 Q C -2.217 173.744 176.000 -0.065 0.000 0.952 360 Q CA -1.119 54.676 55.803 -0.014 0.000 0.850 360 Q CB 1.727 30.451 28.738 -0.024 0.000 1.512 360 Q HN 0.378 nan 8.270 nan 0.000 0.395 361 N N 0.028 118.700 118.700 -0.048 0.000 2.494 361 N HA 0.707 5.447 4.740 0.001 0.000 0.270 361 N C -2.139 173.318 175.510 -0.087 0.000 1.285 361 N CA -0.527 52.490 53.050 -0.056 0.000 0.812 361 N CB 2.488 40.961 38.487 -0.023 0.000 1.557 361 N HN 0.644 nan 8.380 nan 0.000 0.487 362 R N 1.994 122.441 120.500 -0.089 0.000 2.564 362 R HA 0.510 4.850 4.340 0.001 0.000 0.284 362 R C -1.249 175.077 176.300 0.044 0.000 1.031 362 R CA -0.552 55.447 56.100 -0.167 0.000 0.904 362 R CB 0.739 30.863 30.300 -0.294 0.000 1.199 362 R HN 0.512 nan 8.270 nan 0.000 0.443 363 I N 3.424 124.180 120.570 0.310 0.000 2.471 363 I HA 0.281 4.451 4.170 0.001 0.000 0.286 363 I C 0.472 176.756 176.117 0.278 0.000 1.079 363 I CA -0.110 61.377 61.300 0.312 0.000 1.398 363 I CB 0.772 39.030 38.000 0.430 0.000 1.403 363 I HN 0.710 nan 8.210 nan 0.000 0.530 364 A N 4.698 127.547 122.820 0.049 0.000 2.309 364 A HA 0.309 4.629 4.320 0.001 0.000 0.298 364 A C 1.259 178.747 177.584 -0.160 0.000 1.165 364 A CA -0.219 51.755 52.037 -0.105 0.000 0.821 364 A CB 0.863 19.588 19.000 -0.459 0.000 1.102 364 A HN 0.803 nan 8.150 nan 0.000 0.500 365 S N 1.301 116.929 115.700 -0.120 0.000 2.374 365 S HA -0.210 4.260 4.470 0.001 0.000 0.227 365 S C 1.583 176.055 174.600 -0.214 0.000 1.037 365 S CA 2.495 60.543 58.200 -0.252 0.000 1.024 365 S CB -0.320 62.881 63.200 0.001 0.000 0.861 365 S HN 0.799 nan 8.310 nan 0.000 0.456 366 E N 0.048 120.125 120.200 -0.204 0.000 2.150 366 E HA -0.006 4.345 4.350 0.001 0.000 0.193 366 E C 1.597 178.094 176.600 -0.171 0.000 0.985 366 E CA 0.862 57.136 56.400 -0.210 0.000 0.814 366 E CB -0.344 29.174 29.700 -0.303 0.000 0.752 366 E HN 0.564 nan 8.360 nan 0.000 0.466 367 F N 2.224 121.821 119.950 -0.588 0.000 2.095 367 F HA -0.224 4.303 4.527 0.001 0.000 0.298 367 F C 2.005 177.666 175.800 -0.232 0.000 1.104 367 F CA 1.383 59.159 58.000 -0.374 0.000 1.232 367 F CB -0.640 38.058 39.000 -0.504 0.000 0.987 367 F HN 0.036 nan 8.300 nan 0.000 0.475 368 N N 0.062 118.430 118.700 -0.553 0.000 2.036 368 N HA -0.193 4.548 4.740 0.001 0.000 0.195 368 N C 1.716 176.841 175.510 -0.643 0.000 1.037 368 N CA 2.500 54.754 53.050 -1.326 0.000 0.855 368 N CB -0.644 37.142 38.487 -1.168 0.000 1.033 368 N HN 0.330 nan 8.380 nan 0.000 0.423 369 T N 1.993 116.293 114.554 -0.422 0.000 2.684 369 T HA -0.144 4.206 4.350 0.001 0.000 0.267 369 T C 1.920 176.541 174.700 -0.131 0.000 1.036 369 T CA 1.685 63.530 62.100 -0.426 0.000 1.148 369 T CB -0.421 68.311 68.868 -0.227 0.000 0.863 369 T HN 0.429 nan 8.240 nan 0.000 0.436 370 L N -1.231 119.987 121.223 -0.009 0.000 2.362 370 L HA 0.145 4.486 4.340 0.001 0.000 0.219 370 L C 1.769 178.729 176.870 0.150 0.000 1.134 370 L CA 1.360 56.271 54.840 0.118 0.000 0.807 370 L CB -1.118 40.999 42.059 0.097 0.000 0.927 370 L HN 0.194 nan 8.230 nan 0.000 0.447 371 Y N -0.361 119.828 120.300 -0.185 0.000 2.468 371 Y HA 0.213 4.763 4.550 0.001 0.000 0.268 371 Y C 0.763 176.309 175.900 -0.590 0.000 1.177 371 Y CA -0.370 57.309 58.100 -0.701 0.000 1.265 371 Y CB 0.007 38.029 38.460 -0.729 0.000 1.103 371 Y HN 0.272 nan 8.280 nan 0.000 0.522 372 H N 0.261 119.272 119.070 -0.098 0.000 3.198 372 H HA -0.078 4.479 4.556 0.001 0.000 0.255 372 H C -0.511 174.987 175.328 0.283 0.000 1.729 372 H CA -0.261 55.804 56.048 0.028 0.000 1.495 372 H CB -0.282 29.564 29.762 0.139 0.000 1.807 372 H HN 0.403 nan 8.280 nan 0.000 0.554 373 W N 1.625 122.944 121.300 0.032 0.000 3.066 373 W HA 0.096 4.756 4.660 0.001 0.000 0.442 373 W C 0.755 177.303 176.519 0.048 0.000 0.820 373 W CA -0.849 56.555 57.345 0.099 0.000 2.047 373 W CB -1.205 28.366 29.460 0.186 0.000 0.980 373 W HN 0.661 nan 8.180 nan 0.000 0.825 374 H N 0.388 119.707 119.070 0.415 0.000 2.489 374 H HA -0.096 4.460 4.556 0.001 0.000 0.293 374 H C -0.517 174.971 175.328 0.266 0.000 1.066 374 H CA 1.414 57.649 56.048 0.312 0.000 1.305 374 H CB -1.122 28.806 29.762 0.276 0.000 1.386 374 H HN 0.012 nan 8.280 nan 0.000 0.551 375 P HA -0.152 nan 4.420 nan 0.000 0.221 375 P C 1.153 178.570 177.300 0.195 0.000 1.145 375 P CA 1.016 64.244 63.100 0.213 0.000 0.795 375 P CB 0.013 31.792 31.700 0.132 0.000 0.775 376 L N -1.739 119.615 121.223 0.218 0.000 2.129 376 L HA -0.146 4.195 4.340 0.001 0.000 0.212 376 L C 1.149 178.126 176.870 0.180 0.000 1.087 376 L CA 0.745 55.698 54.840 0.188 0.000 0.757 376 L CB -0.812 41.387 42.059 0.233 0.000 0.896 376 L HN 0.015 nan 8.230 nan 0.000 0.434 377 L N 0.945 122.296 121.223 0.213 0.000 2.426 377 L HA 0.141 4.481 4.340 0.001 0.000 0.271 377 L C -1.911 175.051 176.870 0.152 0.000 1.169 377 L CA -1.550 53.395 54.840 0.175 0.000 0.836 377 L CB -0.040 42.253 42.059 0.391 0.000 1.112 377 L HN -0.108 nan 8.230 nan 0.000 0.465 378 P HA 0.164 nan 4.420 nan 0.000 0.284 378 P C -0.478 176.650 177.300 -0.287 0.000 1.292 378 P CA -0.509 62.392 63.100 -0.332 0.000 0.800 378 P CB 1.174 32.517 31.700 -0.596 0.000 1.188 379 D N -1.108 119.092 120.400 -0.333 0.000 2.149 379 D HA -0.015 4.625 4.640 0.001 0.000 0.201 379 D C 0.814 177.028 176.300 -0.144 0.000 0.972 379 D CA 1.661 55.599 54.000 -0.103 0.000 0.835 379 D CB 0.014 40.739 40.800 -0.125 0.000 0.966 379 D HN 0.527 nan 8.370 nan 0.000 0.476 380 T N -2.283 112.040 114.554 -0.386 0.000 2.896 380 T HA 0.566 4.916 4.350 0.001 0.000 0.297 380 T C -0.728 173.583 174.700 -0.649 0.000 1.108 380 T CA -0.915 60.955 62.100 -0.384 0.000 1.004 380 T CB 1.378 70.148 68.868 -0.163 0.000 1.159 380 T HN -0.221 nan 8.240 nan 0.000 0.499 381 F N 2.000 121.778 119.950 -0.287 0.000 2.385 381 F HA 0.466 4.993 4.527 0.001 0.000 0.360 381 F C 0.428 176.146 175.800 -0.137 0.000 1.122 381 F CA -1.024 56.773 58.000 -0.338 0.000 1.090 381 F CB 0.951 39.367 39.000 -0.974 0.000 1.150 381 F HN 0.418 nan 8.300 nan 0.000 0.472 382 N N 5.405 124.125 118.700 0.034 0.000 2.485 382 N HA 0.454 5.195 4.740 0.001 0.000 0.243 382 N C -0.789 174.665 175.510 -0.093 0.000 0.987 382 N CA -0.200 52.827 53.050 -0.038 0.000 0.940 382 N CB 1.545 39.988 38.487 -0.072 0.000 1.122 382 N HN 0.510 nan 8.380 nan 0.000 0.509 383 I N 1.205 121.671 120.570 -0.172 0.000 2.418 383 I HA 0.156 4.326 4.170 0.001 0.000 0.287 383 I C 1.021 176.967 176.117 -0.285 0.000 1.008 383 I CA -0.428 60.628 61.300 -0.407 0.000 1.104 383 I CB 1.309 38.853 38.000 -0.760 0.000 1.264 383 I HN 0.482 nan 8.210 nan 0.000 0.438 384 E N 2.777 122.866 120.200 -0.185 0.000 3.287 384 E HA -0.328 4.022 4.350 0.001 0.000 0.405 384 E C 0.237 176.820 176.600 -0.028 0.000 1.541 384 E CA 2.104 58.484 56.400 -0.035 0.000 1.405 384 E CB -0.441 29.334 29.700 0.125 0.000 1.576 384 E HN 0.765 nan 8.360 nan 0.000 0.474 385 D N 0.510 120.921 120.400 0.017 0.000 2.213 385 D HA -0.002 4.638 4.640 0.001 0.000 0.205 385 D C 0.468 176.725 176.300 -0.072 0.000 0.961 385 D CA 0.778 54.770 54.000 -0.013 0.000 0.853 385 D CB 0.031 40.839 40.800 0.014 0.000 0.967 385 D HN 0.098 nan 8.370 nan 0.000 0.496 386 Q N 0.709 120.444 119.800 -0.109 0.000 2.368 386 Q HA 0.274 4.615 4.340 0.001 0.000 0.237 386 Q C -0.225 175.553 176.000 -0.370 0.000 0.987 386 Q CA 0.367 55.975 55.803 -0.325 0.000 0.896 386 Q CB 0.986 29.343 28.738 -0.634 0.000 1.241 386 Q HN 0.190 nan 8.270 nan 0.000 0.485 387 E N 1.808 121.753 120.200 -0.424 0.000 2.331 387 E HA 0.233 4.583 4.350 0.001 0.000 0.243 387 E C -1.164 175.283 176.600 -0.256 0.000 0.925 387 E CA -0.259 55.981 56.400 -0.267 0.000 0.760 387 E CB 0.804 30.410 29.700 -0.157 0.000 1.254 387 E HN 0.377 nan 8.360 nan 0.000 0.419 388 Y N 1.143 121.465 120.300 0.037 0.000 2.316 388 Y HA 0.119 4.669 4.550 0.001 0.000 0.331 388 Y C 1.233 177.224 175.900 0.153 0.000 1.083 388 Y CA -0.616 57.556 58.100 0.120 0.000 1.206 388 Y CB 1.049 39.622 38.460 0.190 0.000 1.195 388 Y HN 0.336 nan 8.280 nan 0.000 0.497 389 S N 1.532 117.430 115.700 0.330 0.000 2.624 389 S HA 0.152 4.622 4.470 0.001 0.000 0.263 389 S C 0.844 175.713 174.600 0.448 0.000 1.287 389 S CA -0.564 57.834 58.200 0.330 0.000 0.990 389 S CB 0.381 63.743 63.200 0.269 0.000 0.950 389 S HN 0.567 nan 8.310 nan 0.000 0.561 390 F N 1.085 121.248 119.950 0.354 0.000 2.091 390 F HA -0.076 4.451 4.527 0.001 0.000 0.299 390 F C 2.701 178.655 175.800 0.256 0.000 1.103 390 F CA 1.910 60.142 58.000 0.387 0.000 1.228 390 F CB -0.378 38.797 39.000 0.292 0.000 0.984 390 F HN 0.565 nan 8.300 nan 0.000 0.477 391 K N 0.696 121.337 120.400 0.401 0.000 2.074 391 K HA -0.218 4.103 4.320 0.001 0.000 0.209 391 K C 1.898 178.648 176.600 0.250 0.000 1.048 391 K CA 1.832 58.286 56.287 0.278 0.000 0.926 391 K CB -0.418 32.220 32.500 0.229 0.000 0.713 391 K HN 0.426 nan 8.250 nan 0.000 0.444 392 Q N -1.451 118.521 119.800 0.287 0.000 2.245 392 Q HA -0.072 4.269 4.340 0.001 0.000 0.201 392 Q C 1.888 178.025 176.000 0.228 0.000 0.955 392 Q CA 0.852 56.823 55.803 0.281 0.000 0.870 392 Q CB -0.073 28.896 28.738 0.386 0.000 0.945 392 Q HN 0.179 nan 8.270 nan 0.000 0.461 393 F N 1.086 121.041 119.950 0.009 0.000 2.187 393 F HA 0.084 4.611 4.527 0.001 0.000 0.295 393 F C 0.647 176.308 175.800 -0.232 0.000 1.091 393 F CA 0.294 58.173 58.000 -0.201 0.000 1.308 393 F CB 0.175 38.918 39.000 -0.429 0.000 1.030 393 F HN -0.127 nan 8.300 nan 0.000 0.487 394 L N 0.952 122.052 121.223 -0.203 0.000 2.453 394 L HA -0.026 4.314 4.340 0.001 0.000 0.272 394 L C 0.288 176.871 176.870 -0.480 0.000 1.182 394 L CA -0.281 54.238 54.840 -0.534 0.000 0.858 394 L CB -0.406 41.201 42.059 -0.753 0.000 1.120 394 L HN 0.431 nan 8.230 nan 0.000 0.474 395 Y N 0.537 120.810 120.300 -0.045 0.000 4.236 395 Y HA -0.299 4.252 4.550 0.001 0.000 0.220 395 Y C 0.477 176.379 175.900 0.003 0.000 1.115 395 Y CA 0.134 58.245 58.100 0.020 0.000 1.811 395 Y CB -1.963 36.540 38.460 0.071 0.000 1.581 395 Y HN 0.678 nan 8.280 nan 0.000 0.643 396 N N 1.430 120.126 118.700 -0.006 0.000 2.707 396 N HA 0.220 4.960 4.740 0.001 0.000 0.235 396 N C 0.311 175.770 175.510 -0.084 0.000 1.028 396 N CA -0.340 52.702 53.050 -0.013 0.000 0.906 396 N CB 0.285 38.756 38.487 -0.026 0.000 1.131 396 N HN 0.230 nan 8.380 nan 0.000 0.509 397 N N 0.442 119.137 118.700 -0.009 0.000 2.463 397 N HA -0.023 4.717 4.740 0.001 0.000 0.181 397 N C 1.102 176.607 175.510 -0.009 0.000 1.078 397 N CA 0.323 53.377 53.050 0.007 0.000 0.902 397 N CB 0.324 38.929 38.487 0.198 0.000 0.970 397 N HN 0.364 nan 8.380 nan 0.000 0.451 398 S N 1.548 117.241 115.700 -0.011 0.000 2.374 398 S HA -0.091 4.380 4.470 0.001 0.000 0.227 398 S C 2.031 176.643 174.600 0.021 0.000 1.037 398 S CA 0.778 58.973 58.200 -0.008 0.000 1.024 398 S CB -0.220 62.985 63.200 0.008 0.000 0.861 398 S HN 0.334 nan 8.310 nan 0.000 0.456 399 I N 0.867 121.455 120.570 0.031 0.000 2.194 399 I HA -0.224 3.947 4.170 0.001 0.000 0.246 399 I C 2.360 178.668 176.117 0.317 0.000 1.093 399 I CA 0.978 62.367 61.300 0.148 0.000 1.355 399 I CB -0.416 37.555 38.000 -0.048 0.000 1.046 399 I HN 0.244 nan 8.210 nan 0.000 0.413 400 L N 0.830 122.079 121.223 0.043 0.000 2.005 400 L HA -0.165 4.176 4.340 0.001 0.000 0.207 400 L C 2.330 179.135 176.870 -0.109 0.000 1.072 400 L CA 1.814 56.482 54.840 -0.287 0.000 0.744 400 L CB -0.575 41.191 42.059 -0.488 0.000 0.895 400 L HN 0.110 nan 8.230 nan 0.000 0.433 401 L N -0.520 120.631 121.223 -0.121 0.000 2.127 401 L HA -0.219 4.122 4.340 0.001 0.000 0.211 401 L C 2.533 179.393 176.870 -0.017 0.000 1.089 401 L CA 1.415 56.179 54.840 -0.126 0.000 0.757 401 L CB -0.594 41.366 42.059 -0.164 0.000 0.899 401 L HN 0.416 nan 8.230 nan 0.000 0.434 402 E N -0.078 120.128 120.200 0.010 0.000 2.017 402 E HA -0.223 4.127 4.350 0.001 0.000 0.193 402 E C 2.143 178.690 176.600 -0.087 0.000 0.997 402 E CA 1.691 58.054 56.400 -0.062 0.000 0.804 402 E CB -0.055 29.583 29.700 -0.103 0.000 0.757 402 E HN 0.478 nan 8.360 nan 0.000 0.448 403 H N -0.779 118.384 119.070 0.155 0.000 2.486 403 H HA 0.267 4.823 4.556 0.001 0.000 0.287 403 H C 1.049 176.465 175.328 0.147 0.000 1.010 403 H CA 0.734 56.885 56.048 0.172 0.000 1.324 403 H CB 0.330 30.244 29.762 0.252 0.000 1.446 403 H HN 0.316 nan 8.280 nan 0.000 0.537 404 G N 0.993 109.935 108.800 0.236 0.000 2.758 404 G HA2 -0.220 3.741 3.960 0.001 0.000 0.686 404 G HA3 -0.220 3.741 3.960 0.001 0.000 0.686 404 G C 0.562 175.507 174.900 0.076 0.000 1.389 404 G CA -0.211 44.969 45.100 0.133 0.000 0.845 404 G HN 0.141 nan 8.290 nan 0.000 0.572 405 L N 0.728 121.925 121.223 -0.044 0.000 2.042 405 L HA -0.108 4.233 4.340 0.001 0.000 0.210 405 L C 3.228 180.092 176.870 -0.010 0.000 1.076 405 L CA 3.032 57.807 54.840 -0.109 0.000 0.749 405 L CB -1.757 40.182 42.059 -0.200 0.000 0.893 405 L HN 0.868 nan 8.230 nan 0.000 0.432 406 T N -0.943 113.608 114.554 -0.004 0.000 2.652 406 T HA -0.273 4.078 4.350 0.001 0.000 0.267 406 T C 1.830 176.552 174.700 0.037 0.000 1.039 406 T CA 1.708 63.812 62.100 0.005 0.000 1.153 406 T CB -0.136 68.736 68.868 0.006 0.000 0.863 406 T HN 0.173 nan 8.240 nan 0.000 0.428 407 Q N -0.027 119.820 119.800 0.079 0.000 2.167 407 Q HA 0.004 4.345 4.340 0.001 0.000 0.202 407 Q C 1.810 177.803 176.000 -0.011 0.000 0.970 407 Q CA 1.357 57.200 55.803 0.066 0.000 0.855 407 Q CB -0.621 28.201 28.738 0.141 0.000 0.911 407 Q HN 0.500 nan 8.270 nan 0.000 0.438 408 F N -1.059 118.774 119.950 -0.196 0.000 2.102 408 F HA -0.186 4.342 4.527 0.001 0.000 0.298 408 F C 2.176 177.779 175.800 -0.329 0.000 1.105 408 F CA 1.186 58.940 58.000 -0.409 0.000 1.239 408 F CB -0.594 38.205 39.000 -0.335 0.000 0.991 408 F HN -0.066 nan 8.300 nan 0.000 0.474 409 V N -0.250 119.685 119.914 0.035 0.000 2.295 409 V HA -0.283 3.838 4.120 0.001 0.000 0.246 409 V C 2.162 178.283 176.094 0.045 0.000 1.049 409 V CA 2.062 64.388 62.300 0.044 0.000 1.024 409 V CB -0.624 31.195 31.823 -0.007 0.000 0.648 409 V HN 0.303 nan 8.190 nan 0.000 0.447 410 E N 0.020 120.229 120.200 0.016 0.000 2.058 410 E HA -0.203 4.147 4.350 0.001 0.000 0.194 410 E C 2.436 179.050 176.600 0.023 0.000 0.997 410 E CA 1.741 58.161 56.400 0.034 0.000 0.801 410 E CB -0.235 29.478 29.700 0.021 0.000 0.746 410 E HN 0.492 nan 8.360 nan 0.000 0.450 411 S N 0.051 115.709 115.700 -0.071 0.000 2.368 411 S HA -0.085 4.386 4.470 0.001 0.000 0.224 411 S C 1.545 176.194 174.600 0.082 0.000 1.029 411 S CA 0.763 58.904 58.200 -0.099 0.000 0.988 411 S CB -0.145 62.847 63.200 -0.346 0.000 0.838 411 S HN 0.179 nan 8.310 nan 0.000 0.462 412 F N 2.060 122.025 119.950 0.025 0.000 2.407 412 F HA 0.048 4.575 4.527 0.001 0.000 0.299 412 F C 2.582 178.453 175.800 0.119 0.000 1.097 412 F CA 0.419 58.480 58.000 0.102 0.000 1.422 412 F CB -1.525 37.591 39.000 0.193 0.000 1.067 412 F HN 0.138 nan 8.300 nan 0.000 0.539 413 T N -0.623 114.097 114.554 0.277 0.000 2.867 413 T HA -0.111 4.239 4.350 0.001 0.000 0.268 413 T C 2.161 176.959 174.700 0.164 0.000 1.057 413 T CA 1.009 63.225 62.100 0.195 0.000 1.136 413 T CB -0.040 68.921 68.868 0.155 0.000 0.874 413 T HN 0.201 nan 8.240 nan 0.000 0.466 414 R N 0.547 121.133 120.500 0.144 0.000 2.173 414 R HA 0.153 4.494 4.340 0.001 0.000 0.208 414 R C 1.324 177.680 176.300 0.093 0.000 1.035 414 R CA 0.183 56.343 56.100 0.099 0.000 1.004 414 R CB 0.148 30.486 30.300 0.064 0.000 0.917 414 R HN 0.389 nan 8.270 nan 0.000 0.462 415 Q N 1.733 121.608 119.800 0.125 0.000 2.294 415 Q HA 0.184 4.525 4.340 0.001 0.000 0.257 415 Q C -0.647 175.403 176.000 0.084 0.000 0.955 415 Q CA -0.174 55.681 55.803 0.086 0.000 0.936 415 Q CB 0.947 29.745 28.738 0.101 0.000 1.188 415 Q HN 0.145 nan 8.270 nan 0.000 0.420 416 I N 3.286 123.902 120.570 0.076 0.000 2.634 416 I HA 0.321 4.492 4.170 0.001 0.000 0.284 416 I C -0.303 175.917 176.117 0.172 0.000 1.124 416 I CA 0.011 61.381 61.300 0.117 0.000 1.417 416 I CB 0.830 38.915 38.000 0.142 0.000 1.396 416 I HN 0.849 nan 8.210 nan 0.000 0.571 417 A N 5.256 128.166 122.820 0.150 0.000 2.264 417 A HA 0.710 5.030 4.320 0.001 0.000 0.304 417 A C 0.154 177.842 177.584 0.174 0.000 1.100 417 A CA -0.142 51.994 52.037 0.166 0.000 0.839 417 A CB 0.586 19.659 19.000 0.120 0.000 1.121 417 A HN 0.854 nan 8.150 nan 0.000 0.496 418 G N -0.335 108.564 108.800 0.166 0.000 2.448 418 G HA2 0.477 4.438 3.960 0.001 0.000 0.285 418 G HA3 0.477 4.438 3.960 0.001 0.000 0.285 418 G C 0.106 174.931 174.900 -0.125 0.000 1.176 418 G CA -0.625 44.434 45.100 -0.068 0.000 0.852 418 G HN 0.872 nan 8.290 nan 0.000 0.530 419 R N 1.117 121.479 120.500 -0.229 0.000 2.537 419 R HA 0.213 4.554 4.340 0.001 0.000 0.280 419 R C 0.846 177.071 176.300 -0.125 0.000 1.058 419 R CA -0.435 55.543 56.100 -0.202 0.000 1.057 419 R CB 0.804 30.974 30.300 -0.216 0.000 0.973 419 R HN 0.258 nan 8.270 nan 0.000 0.438 420 V N 3.834 123.679 119.914 -0.116 0.000 2.374 420 V HA 0.064 4.185 4.120 0.001 0.000 0.241 420 V C 1.115 177.195 176.094 -0.024 0.000 1.034 420 V CA 1.521 63.803 62.300 -0.030 0.000 1.037 420 V CB -0.482 31.329 31.823 -0.020 0.000 0.682 420 V HN 0.912 nan 8.190 nan 0.000 0.463 421 A N -0.514 122.296 122.820 -0.017 0.000 2.249 421 A HA 0.533 4.853 4.320 0.001 0.000 0.281 421 A C 1.554 179.100 177.584 -0.065 0.000 1.127 421 A CA 0.555 52.571 52.037 -0.036 0.000 0.833 421 A CB -0.274 18.720 19.000 -0.011 0.000 1.140 421 A HN 1.388 nan 8.150 nan 0.000 0.502 422 G N -2.207 106.555 108.800 -0.063 0.000 2.195 422 G HA2 0.329 4.290 3.960 0.001 0.000 0.246 422 G HA3 0.329 4.290 3.960 0.001 0.000 0.246 422 G C 1.659 176.523 174.900 -0.061 0.000 0.984 422 G CA 0.653 45.713 45.100 -0.067 0.000 0.633 422 G HN 3.055 nan 8.290 nan 0.000 0.525 423 G N -0.622 108.143 108.800 -0.057 0.000 2.758 423 G HA2 0.258 4.219 3.960 0.001 0.000 0.686 423 G HA3 0.258 4.219 3.960 0.001 0.000 0.686 423 G C 0.236 175.113 174.900 -0.038 0.000 1.389 423 G CA 0.371 45.443 45.100 -0.045 0.000 0.845 423 G HN 1.681 nan 8.290 nan 0.000 0.572 424 R N -0.817 119.670 120.500 -0.022 0.000 3.205 424 R HA -0.203 4.138 4.340 0.001 0.000 0.249 424 R C 0.461 176.755 176.300 -0.010 0.000 0.937 424 R CA 1.017 57.110 56.100 -0.011 0.000 0.641 424 R CB -1.194 29.096 30.300 -0.016 0.000 1.114 424 R HN 0.714 nan 8.270 nan 0.000 0.451 425 N N -0.728 117.974 118.700 0.005 0.000 2.142 425 N HA 0.083 4.823 4.740 0.001 0.000 0.233 425 N C -0.908 174.646 175.510 0.073 0.000 1.335 425 N CA 0.012 53.071 53.050 0.015 0.000 0.837 425 N CB 1.182 39.646 38.487 -0.038 0.000 1.238 425 N HN 0.057 nan 8.380 nan 0.000 0.501 426 V N 3.020 122.983 119.914 0.082 0.000 2.455 426 V HA 0.324 4.445 4.120 0.001 0.000 0.273 426 V C -2.019 174.127 176.094 0.087 0.000 1.045 426 V CA -1.294 61.077 62.300 0.119 0.000 0.976 426 V CB 0.911 32.805 31.823 0.119 0.000 0.993 426 V HN 0.087 nan 8.190 nan 0.000 0.475 427 P HA 0.152 nan 4.420 nan 0.000 0.265 427 P C 1.099 178.355 177.300 -0.074 0.000 1.193 427 P CA 0.154 63.267 63.100 0.023 0.000 0.765 427 P CB 0.586 32.303 31.700 0.028 0.000 0.823 428 I N 2.491 123.013 120.570 -0.081 0.000 2.264 428 I HA -0.312 3.858 4.170 0.001 0.000 0.248 428 I C 2.159 178.175 176.117 -0.167 0.000 1.111 428 I CA 1.708 62.955 61.300 -0.088 0.000 1.382 428 I CB -0.576 37.392 38.000 -0.055 0.000 1.060 428 I HN 0.389 nan 8.210 nan 0.000 0.418 429 A N -0.373 122.245 122.820 -0.338 0.000 2.084 429 A HA -0.152 4.168 4.320 0.001 0.000 0.221 429 A C 2.048 179.421 177.584 -0.352 0.000 1.161 429 A CA 1.652 53.402 52.037 -0.478 0.000 0.653 429 A CB -0.374 17.867 19.000 -1.265 0.000 0.802 429 A HN 0.329 nan 8.150 nan 0.000 0.457 430 V N 0.266 120.016 119.914 -0.274 0.000 3.078 430 V HA 0.023 4.143 4.120 0.001 0.000 0.344 430 V C 1.731 177.769 176.094 -0.093 0.000 1.409 430 V CA 0.584 62.795 62.300 -0.147 0.000 1.146 430 V CB -0.081 31.688 31.823 -0.090 0.000 1.126 430 V HN 0.862 nan 8.190 nan 0.000 0.513 431 Q N 0.663 120.422 119.800 -0.070 0.000 2.135 431 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 431 Q C 1.984 177.970 176.000 -0.024 0.000 0.981 431 Q CA 2.091 57.877 55.803 -0.028 0.000 0.856 431 Q CB -0.486 28.240 28.738 -0.019 0.000 0.902 431 Q HN 0.555 nan 8.270 nan 0.000 0.425 432 A N 1.156 123.956 122.820 -0.034 0.000 1.978 432 A HA -0.124 4.197 4.320 0.001 0.000 0.220 432 A C 2.325 179.886 177.584 -0.038 0.000 1.170 432 A CA 1.639 53.660 52.037 -0.027 0.000 0.636 432 A CB -0.712 18.275 19.000 -0.021 0.000 0.810 432 A HN 0.283 nan 8.150 nan 0.000 0.448 433 V N -0.560 119.312 119.914 -0.071 0.000 2.548 433 V HA -0.158 3.962 4.120 0.001 0.000 0.249 433 V C 2.938 179.000 176.094 -0.054 0.000 1.055 433 V CA 1.686 63.923 62.300 -0.104 0.000 1.065 433 V CB -1.041 30.612 31.823 -0.284 0.000 0.681 433 V HN 0.604 nan 8.190 nan 0.000 0.462 434 A N -0.275 122.541 122.820 -0.007 0.000 1.929 434 A HA -0.173 4.147 4.320 0.001 0.000 0.216 434 A C 2.338 179.971 177.584 0.082 0.000 1.176 434 A CA 1.765 53.869 52.037 0.113 0.000 0.628 434 A CB -0.367 18.729 19.000 0.159 0.000 0.816 434 A HN 0.477 nan 8.150 nan 0.000 0.444 435 K N -0.174 120.246 120.400 0.033 0.000 2.057 435 K HA -0.058 4.262 4.320 0.001 0.000 0.206 435 K C 2.143 178.732 176.600 -0.019 0.000 1.050 435 K CA 1.103 57.401 56.287 0.020 0.000 0.935 435 K CB -0.291 32.214 32.500 0.007 0.000 0.715 435 K HN 0.355 nan 8.250 nan 0.000 0.439 436 A N 0.608 123.403 122.820 -0.041 0.000 1.933 436 A HA -0.129 4.192 4.320 0.001 0.000 0.218 436 A C 2.128 179.626 177.584 -0.143 0.000 1.175 436 A CA 1.971 53.968 52.037 -0.065 0.000 0.628 436 A CB -0.538 18.434 19.000 -0.046 0.000 0.814 436 A HN 0.342 nan 8.150 nan 0.000 0.444 437 S N -0.138 115.429 115.700 -0.222 0.000 2.382 437 S HA -0.119 4.351 4.470 0.001 0.000 0.228 437 S C 1.789 176.133 174.600 -0.427 0.000 1.027 437 S CA 1.508 59.385 58.200 -0.538 0.000 0.991 437 S CB -0.468 62.103 63.200 -1.048 0.000 0.823 437 S HN 0.569 nan 8.310 nan 0.000 0.469 438 I N 1.649 122.125 120.570 -0.156 0.000 2.163 438 I HA -0.172 3.999 4.170 0.001 0.000 0.240 438 I C 2.032 178.108 176.117 -0.069 0.000 1.081 438 I CA 1.184 62.475 61.300 -0.015 0.000 1.353 438 I CB -0.460 37.595 38.000 0.091 0.000 1.054 438 I HN 0.160 nan 8.210 nan 0.000 0.407 439 D N 0.560 120.922 120.400 -0.064 0.000 2.117 439 D HA -0.190 4.451 4.640 0.001 0.000 0.197 439 D C 2.225 178.474 176.300 -0.085 0.000 0.987 439 D CA 1.256 55.225 54.000 -0.051 0.000 0.829 439 D CB -0.274 40.506 40.800 -0.033 0.000 0.961 439 D HN 0.431 nan 8.370 nan 0.000 0.460 440 Q N 0.132 119.852 119.800 -0.133 0.000 2.230 440 Q HA -0.007 4.334 4.340 0.001 0.000 0.202 440 Q C 2.231 178.069 176.000 -0.271 0.000 0.963 440 Q CA 0.589 56.300 55.803 -0.153 0.000 0.866 440 Q CB 0.139 28.794 28.738 -0.139 0.000 0.931 440 Q HN 0.071 nan 8.270 nan 0.000 0.452 441 S N 0.632 116.095 115.700 -0.395 0.000 2.370 441 S HA -0.155 4.315 4.470 0.001 0.000 0.226 441 S C 1.774 176.164 174.600 -0.350 0.000 1.033 441 S CA 1.187 58.986 58.200 -0.667 0.000 1.011 441 S CB -0.072 62.806 63.200 -0.537 0.000 0.852 441 S HN 0.340 nan 8.310 nan 0.000 0.457 442 R N 0.943 121.358 120.500 -0.142 0.000 2.066 442 R HA -0.017 4.323 4.340 0.001 0.000 0.232 442 R C 2.431 178.727 176.300 -0.006 0.000 1.131 442 R CA 1.203 57.291 56.100 -0.021 0.000 0.955 442 R CB -0.334 29.970 30.300 0.008 0.000 0.851 442 R HN 0.476 nan 8.270 nan 0.000 0.432 443 E N 0.846 121.028 120.200 -0.029 0.000 2.130 443 E HA -0.205 4.145 4.350 0.001 0.000 0.196 443 E C 1.578 178.197 176.600 0.031 0.000 0.998 443 E CA 1.291 57.695 56.400 0.007 0.000 0.806 443 E CB 0.082 29.782 29.700 0.001 0.000 0.738 443 E HN 0.301 nan 8.360 nan 0.000 0.459 444 M N -0.071 119.529 119.600 -0.000 0.000 2.495 444 M HA 0.033 4.514 4.480 0.001 0.000 0.237 444 M C -0.299 176.103 176.300 0.170 0.000 1.131 444 M CA 0.205 55.550 55.300 0.075 0.000 1.032 444 M CB 0.647 33.276 32.600 0.048 0.000 1.513 444 M HN -0.157 nan 8.290 nan 0.000 0.488 445 K N -0.154 120.329 120.400 0.139 0.000 3.125 445 K HA -0.181 4.139 4.320 0.001 0.000 0.268 445 K C -1.247 175.511 176.600 0.264 0.000 1.078 445 K CA 0.587 56.969 56.287 0.158 0.000 0.775 445 K CB -2.685 29.878 32.500 0.106 0.000 1.253 445 K HN 0.284 nan 8.250 nan 0.000 0.486 446 Y N 1.348 121.698 120.300 0.084 0.000 2.712 446 Y HA -0.036 4.515 4.550 0.001 0.000 0.333 446 Y C 1.877 177.869 175.900 0.154 0.000 1.225 446 Y CA 0.064 58.263 58.100 0.165 0.000 1.499 446 Y CB 0.419 38.981 38.460 0.170 0.000 1.288 446 Y HN 0.181 nan 8.280 nan 0.000 0.575 447 Q N 1.050 120.978 119.800 0.212 0.000 2.526 447 Q HA 0.220 4.560 4.340 0.001 0.000 0.207 447 Q C 0.320 176.440 176.000 0.199 0.000 1.078 447 Q CA -0.287 55.552 55.803 0.059 0.000 1.041 447 Q CB 0.414 29.017 28.738 -0.225 0.000 1.228 447 Q HN 0.786 nan 8.270 nan 0.000 0.603 448 S N -0.291 115.467 115.700 0.096 0.000 2.624 448 S HA 0.043 4.514 4.470 0.001 0.000 0.263 448 S C 0.934 175.650 174.600 0.192 0.000 1.287 448 S CA -0.665 57.612 58.200 0.129 0.000 0.990 448 S CB 0.557 63.785 63.200 0.046 0.000 0.950 448 S HN 0.640 nan 8.310 nan 0.000 0.561 449 L N 1.302 122.611 121.223 0.143 0.000 1.997 449 L HA -0.173 4.168 4.340 0.001 0.000 0.216 449 L C 1.952 178.892 176.870 0.116 0.000 1.074 449 L CA 2.112 57.036 54.840 0.139 0.000 0.763 449 L CB -1.417 40.677 42.059 0.058 0.000 0.890 449 L HN 0.750 nan 8.230 nan 0.000 0.434 450 N N -0.457 118.267 118.700 0.041 0.000 2.244 450 N HA -0.138 4.603 4.740 0.001 0.000 0.183 450 N C 1.730 177.227 175.510 -0.022 0.000 1.016 450 N CA 1.099 54.144 53.050 -0.008 0.000 0.866 450 N CB -0.203 38.259 38.487 -0.040 0.000 0.980 450 N HN 0.451 nan 8.380 nan 0.000 0.430 451 E N 0.161 120.336 120.200 -0.041 0.000 2.085 451 E HA -0.147 4.203 4.350 0.001 0.000 0.194 451 E C 1.748 178.272 176.600 -0.127 0.000 0.994 451 E CA 0.932 57.256 56.400 -0.128 0.000 0.801 451 E CB -0.460 29.110 29.700 -0.216 0.000 0.743 451 E HN 0.492 nan 8.360 nan 0.000 0.453 452 Y N 0.818 121.126 120.300 0.014 0.000 2.263 452 Y HA -0.060 4.490 4.550 0.001 0.000 0.292 452 Y C 2.549 178.512 175.900 0.105 0.000 1.130 452 Y CA 1.046 59.190 58.100 0.073 0.000 1.179 452 Y CB -0.091 38.388 38.460 0.032 0.000 0.998 452 Y HN -0.032 nan 8.280 nan 0.000 0.532 453 R N 0.029 120.621 120.500 0.153 0.000 2.073 453 R HA -0.179 4.161 4.340 0.001 0.000 0.234 453 R C 2.184 178.517 176.300 0.054 0.000 1.134 453 R CA 1.661 57.796 56.100 0.058 0.000 0.952 453 R CB -0.233 30.019 30.300 -0.080 0.000 0.850 453 R HN 0.203 nan 8.270 nan 0.000 0.433 454 K N 0.097 120.498 120.400 0.002 0.000 2.063 454 K HA -0.195 4.126 4.320 0.001 0.000 0.208 454 K C 2.074 178.657 176.600 -0.028 0.000 1.048 454 K CA 1.417 57.682 56.287 -0.037 0.000 0.928 454 K CB -0.063 32.389 32.500 -0.079 0.000 0.713 454 K HN -0.118 nan 8.250 nan 0.000 0.442 455 R N 0.011 120.511 120.500 -0.000 0.000 2.193 455 R HA -0.061 4.279 4.340 0.001 0.000 0.229 455 R C 0.457 176.630 176.300 -0.211 0.000 1.110 455 R CA 1.398 57.452 56.100 -0.076 0.000 0.988 455 R CB -0.192 30.088 30.300 -0.032 0.000 0.871 455 R HN 0.119 nan 8.270 nan 0.000 0.458 456 F N 0.255 120.169 119.950 -0.059 0.000 2.850 456 F HA 0.301 4.829 4.527 0.001 0.000 0.306 456 F C 0.367 176.134 175.800 -0.056 0.000 1.162 456 F CA -0.160 57.788 58.000 -0.086 0.000 1.327 456 F CB 0.432 39.382 39.000 -0.083 0.000 0.953 456 F HN -0.090 nan 8.300 nan 0.000 0.507 457 S N 0.718 116.446 115.700 0.048 0.000 3.635 457 S HA -0.191 4.279 4.470 0.001 0.000 0.328 457 S C -0.051 174.578 174.600 0.048 0.000 1.135 457 S CA 0.323 58.557 58.200 0.057 0.000 0.942 457 S CB -1.871 61.399 63.200 0.118 0.000 0.930 457 S HN 0.304 nan 8.310 nan 0.000 0.512 458 L N 0.372 121.610 121.223 0.025 0.000 2.330 458 L HA 0.509 4.849 4.340 0.001 0.000 0.271 458 L C 0.554 177.374 176.870 -0.084 0.000 1.013 458 L CA -0.768 54.053 54.840 -0.031 0.000 0.816 458 L CB 1.110 43.136 42.059 -0.054 0.000 1.287 458 L HN -0.025 nan 8.230 nan 0.000 0.435 459 K N 2.289 122.614 120.400 -0.125 0.000 2.312 459 K HA 0.300 4.621 4.320 0.001 0.000 0.287 459 K C -2.303 174.158 176.600 -0.232 0.000 1.062 459 K CA -1.641 54.565 56.287 -0.135 0.000 0.934 459 K CB 1.036 33.477 32.500 -0.099 0.000 1.027 459 K HN 0.198 nan 8.250 nan 0.000 0.478 460 P HA -0.114 nan 4.420 nan 0.000 0.266 460 P C -0.937 176.252 177.300 -0.186 0.000 1.193 460 P CA 0.438 63.430 63.100 -0.180 0.000 0.770 460 P CB 0.254 31.897 31.700 -0.095 0.000 0.836 461 Y N 0.240 120.493 120.300 -0.078 0.000 2.359 461 Y HA 0.097 4.648 4.550 0.001 0.000 0.330 461 Y C 2.096 177.923 175.900 -0.121 0.000 1.143 461 Y CA 0.202 58.243 58.100 -0.099 0.000 1.318 461 Y CB 0.585 38.966 38.460 -0.133 0.000 1.234 461 Y HN 0.396 nan 8.280 nan 0.000 0.522 462 T N -2.448 112.160 114.554 0.088 0.000 3.022 462 T HA 0.188 4.539 4.350 0.001 0.000 0.250 462 T C 0.173 174.860 174.700 -0.022 0.000 1.060 462 T CA 0.363 62.470 62.100 0.013 0.000 1.013 462 T CB -0.024 68.858 68.868 0.023 0.000 0.982 462 T HN 0.512 nan 8.240 nan 0.000 0.508 463 S N -1.033 114.640 115.700 -0.045 0.000 2.567 463 S HA 0.561 5.031 4.470 0.001 0.000 0.270 463 S C -0.165 174.345 174.600 -0.151 0.000 1.152 463 S CA -0.927 57.229 58.200 -0.073 0.000 0.835 463 S CB 0.227 63.442 63.200 0.025 0.000 1.115 463 S HN -0.061 nan 8.310 nan 0.000 0.459 464 F N 1.115 121.037 119.950 -0.046 0.000 2.216 464 F HA 0.056 4.584 4.527 0.001 0.000 0.300 464 F C 2.505 178.232 175.800 -0.122 0.000 1.085 464 F CA 1.504 59.450 58.000 -0.090 0.000 1.326 464 F CB -0.224 38.748 39.000 -0.047 0.000 1.027 464 F HN 0.700 nan 8.300 nan 0.000 0.497 465 E N -0.195 120.062 120.200 0.094 0.000 2.208 465 E HA -0.207 4.144 4.350 0.001 0.000 0.193 465 E C 2.018 178.586 176.600 -0.054 0.000 0.988 465 E CA 0.750 57.162 56.400 0.019 0.000 0.828 465 E CB -0.171 29.548 29.700 0.031 0.000 0.763 465 E HN 0.507 nan 8.360 nan 0.000 0.478 466 E N 0.667 120.815 120.200 -0.087 0.000 2.152 466 E HA -0.163 4.187 4.350 0.001 0.000 0.192 466 E C 2.091 178.456 176.600 -0.392 0.000 0.983 466 E CA 0.296 56.626 56.400 -0.117 0.000 0.818 466 E CB 0.157 29.864 29.700 0.013 0.000 0.758 466 E HN 0.106 nan 8.360 nan 0.000 0.467 467 L N 0.752 121.606 121.223 -0.615 0.000 2.005 467 L HA -0.121 4.220 4.340 0.001 0.000 0.207 467 L C 2.501 179.119 176.870 -0.421 0.000 1.072 467 L CA 2.641 56.923 54.840 -0.929 0.000 0.744 467 L CB -0.916 40.744 42.059 -0.666 0.000 0.895 467 L HN 0.211 nan 8.230 nan 0.000 0.433 468 T N -3.924 110.502 114.554 -0.213 0.000 3.035 468 T HA 0.232 4.582 4.350 0.001 0.000 0.259 468 T C 1.603 176.250 174.700 -0.088 0.000 1.078 468 T CA 0.559 62.590 62.100 -0.116 0.000 1.132 468 T CB -0.421 68.414 68.868 -0.055 0.000 0.900 468 T HN 0.759 nan 8.240 nan 0.000 0.480 469 G N 1.728 110.478 108.800 -0.083 0.000 2.148 469 G HA2 -0.186 3.775 3.960 0.001 0.000 0.254 469 G HA3 -0.186 3.775 3.960 0.001 0.000 0.254 469 G C -0.133 174.749 174.900 -0.031 0.000 0.981 469 G CA 0.706 45.777 45.100 -0.048 0.000 0.670 469 G HN 1.008 nan 8.290 nan 0.000 0.528 470 E N -2.098 118.085 120.200 -0.029 0.000 2.437 470 E HA 0.813 5.163 4.350 0.001 0.000 0.253 470 E C 0.827 177.420 176.600 -0.012 0.000 0.905 470 E CA -0.798 55.590 56.400 -0.020 0.000 0.871 470 E CB 0.263 29.949 29.700 -0.024 0.000 1.649 470 E HN -0.001 nan 8.360 nan 0.000 0.422 471 K N -0.433 119.960 120.400 -0.011 0.000 2.367 471 K HA 0.130 4.450 4.320 0.001 0.000 0.198 471 K C 1.685 178.277 176.600 -0.013 0.000 1.132 471 K CA 0.449 56.731 56.287 -0.007 0.000 0.941 471 K CB 0.375 32.872 32.500 -0.006 0.000 1.052 471 K HN 0.590 nan 8.250 nan 0.000 0.507 472 E N 1.672 121.862 120.200 -0.017 0.000 2.028 472 E HA -0.088 4.262 4.350 0.001 0.000 0.191 472 E C 2.055 178.637 176.600 -0.029 0.000 0.988 472 E CA 1.069 57.455 56.400 -0.022 0.000 0.799 472 E CB 0.098 29.785 29.700 -0.020 0.000 0.755 472 E HN 0.123 nan 8.360 nan 0.000 0.447 473 M N 0.306 119.891 119.600 -0.026 0.000 2.175 473 M HA -0.113 4.367 4.480 0.001 0.000 0.264 473 M C 2.463 178.741 176.300 -0.037 0.000 1.063 473 M CA 1.296 56.580 55.300 -0.027 0.000 1.119 473 M CB -0.192 32.395 32.600 -0.021 0.000 1.377 473 M HN 0.222 nan 8.290 nan 0.000 0.415 474 A N 0.743 123.551 122.820 -0.020 0.000 1.892 474 A HA -0.178 4.143 4.320 0.001 0.000 0.218 474 A C 2.378 179.899 177.584 -0.105 0.000 1.188 474 A CA 2.283 54.317 52.037 -0.005 0.000 0.631 474 A CB -1.067 17.960 19.000 0.045 0.000 0.822 474 A HN 0.517 nan 8.150 nan 0.000 0.447 475 A N -0.784 121.990 122.820 -0.076 0.000 1.933 475 A HA -0.136 4.184 4.320 0.001 0.000 0.218 475 A C 1.964 179.468 177.584 -0.134 0.000 1.175 475 A CA 1.648 53.629 52.037 -0.093 0.000 0.628 475 A CB -0.403 18.566 19.000 -0.052 0.000 0.814 475 A HN 0.519 nan 8.150 nan 0.000 0.444 476 E N 0.062 120.195 120.200 -0.112 0.000 2.047 476 E HA -0.131 4.220 4.350 0.001 0.000 0.191 476 E C 2.093 178.597 176.600 -0.160 0.000 0.987 476 E CA 0.967 57.303 56.400 -0.107 0.000 0.799 476 E CB -0.436 29.226 29.700 -0.065 0.000 0.752 476 E HN 0.667 nan 8.360 nan 0.000 0.449 477 L N 0.878 121.974 121.223 -0.213 0.000 2.046 477 L HA -0.197 4.143 4.340 0.001 0.000 0.208 477 L C 2.706 179.156 176.870 -0.701 0.000 1.077 477 L CA 1.424 56.091 54.840 -0.289 0.000 0.747 477 L CB -0.400 41.515 42.059 -0.239 0.000 0.896 477 L HN 0.088 nan 8.230 nan 0.000 0.432 478 K N 0.660 120.468 120.400 -0.985 0.000 2.032 478 K HA -0.201 4.119 4.320 0.001 0.000 0.209 478 K C 2.047 178.459 176.600 -0.314 0.000 1.048 478 K CA 1.591 57.366 56.287 -0.852 0.000 0.927 478 K CB -0.217 32.043 32.500 -0.400 0.000 0.712 478 K HN 0.228 nan 8.250 nan 0.000 0.441 479 A N 0.658 123.347 122.820 -0.218 0.000 2.019 479 A HA -0.067 4.254 4.320 0.001 0.000 0.219 479 A C 2.050 179.564 177.584 -0.117 0.000 1.164 479 A CA 1.298 53.262 52.037 -0.122 0.000 0.644 479 A CB -0.414 18.527 19.000 -0.098 0.000 0.805 479 A HN 0.372 nan 8.150 nan 0.000 0.449 480 L N -3.249 117.881 121.223 -0.155 0.000 2.221 480 L HA 0.022 4.363 4.340 0.001 0.000 0.202 480 L C 2.159 178.895 176.870 -0.222 0.000 1.074 480 L CA 0.933 55.649 54.840 -0.206 0.000 0.795 480 L CB -0.146 41.748 42.059 -0.275 0.000 0.960 480 L HN 0.469 nan 8.230 nan 0.000 0.458 481 Y N -1.704 118.560 120.300 -0.060 0.000 2.507 481 Y HA 0.061 4.612 4.550 0.001 0.000 0.263 481 Y C 1.943 177.922 175.900 0.132 0.000 1.093 481 Y CA 0.459 58.609 58.100 0.083 0.000 1.285 481 Y CB 0.707 39.319 38.460 0.254 0.000 1.115 481 Y HN 0.061 nan 8.280 nan 0.000 0.533 482 S N -0.837 114.992 115.700 0.215 0.000 1.619 482 S HA -0.283 4.187 4.470 0.001 0.000 0.235 482 S C -0.045 174.751 174.600 0.327 0.000 0.805 482 S CA 1.846 60.163 58.200 0.194 0.000 1.403 482 S CB -1.171 62.106 63.200 0.127 0.000 1.782 482 S HN 0.526 nan 8.310 nan 0.000 0.524 483 D N 0.312 120.925 120.400 0.356 0.000 2.408 483 D HA 0.580 5.220 4.640 0.001 0.000 0.243 483 D C 0.611 176.994 176.300 0.139 0.000 1.075 483 D CA -0.505 53.639 54.000 0.240 0.000 0.832 483 D CB 1.209 42.088 40.800 0.132 0.000 1.162 483 D HN 0.103 nan 8.370 nan 0.000 0.515 484 I N 2.998 123.452 120.570 -0.193 0.000 2.315 484 I HA -0.204 3.967 4.170 0.001 0.000 0.251 484 I C 1.063 176.998 176.117 -0.305 0.000 1.125 484 I CA 1.546 62.425 61.300 -0.702 0.000 1.392 484 I CB -0.006 37.613 38.000 -0.636 0.000 1.065 484 I HN 0.372 nan 8.210 nan 0.000 0.424 485 D N -0.523 119.802 120.400 -0.125 0.000 2.378 485 D HA 0.006 4.646 4.640 0.001 0.000 0.227 485 D C 1.860 178.146 176.300 -0.023 0.000 1.012 485 D CA 0.582 54.544 54.000 -0.064 0.000 0.905 485 D CB 0.266 41.047 40.800 -0.033 0.000 0.895 485 D HN 0.289 nan 8.370 nan 0.000 0.532 486 V N 0.228 120.144 119.914 0.003 0.000 3.605 486 V HA 0.126 4.247 4.120 0.001 0.000 0.284 486 V C 0.643 176.747 176.094 0.017 0.000 1.386 486 V CA -0.225 62.120 62.300 0.076 0.000 1.053 486 V CB 0.137 32.066 31.823 0.178 0.000 0.857 486 V HN 0.090 nan 8.190 nan 0.000 0.436 487 M N 1.521 121.020 119.600 -0.168 0.000 2.250 487 M HA 0.129 4.609 4.480 0.001 0.000 0.337 487 M C 0.209 176.381 176.300 -0.214 0.000 1.161 487 M CA 0.620 55.645 55.300 -0.458 0.000 1.088 487 M CB -0.085 32.286 32.600 -0.381 0.000 1.639 487 M HN 0.272 nan 8.290 nan 0.000 0.447 488 E N 3.312 123.383 120.200 -0.215 0.000 2.277 488 E HA 0.136 4.486 4.350 0.001 0.000 0.274 488 E C 0.513 177.147 176.600 0.057 0.000 1.022 488 E CA -0.631 55.792 56.400 0.039 0.000 0.853 488 E CB 1.148 30.939 29.700 0.152 0.000 1.086 488 E HN 0.780 nan 8.360 nan 0.000 0.397 489 L N 3.203 124.507 121.223 0.135 0.000 1.970 489 L HA -0.243 4.098 4.340 0.001 0.000 0.212 489 L C 2.064 178.978 176.870 0.074 0.000 1.071 489 L CA 1.956 56.853 54.840 0.096 0.000 0.751 489 L CB -0.732 41.364 42.059 0.062 0.000 0.889 489 L HN 0.707 nan 8.230 nan 0.000 0.432 490 Y N 1.048 121.354 120.300 0.009 0.000 2.114 490 Y HA -0.112 4.438 4.550 0.001 0.000 0.284 490 Y C -0.589 175.318 175.900 0.011 0.000 1.143 490 Y CA 1.842 59.931 58.100 -0.018 0.000 1.135 490 Y CB -1.885 36.536 38.460 -0.065 0.000 0.980 490 Y HN 0.266 nan 8.280 nan 0.000 0.499 491 P HA -0.116 nan 4.420 nan 0.000 0.218 491 P C 1.439 178.639 177.300 -0.167 0.000 1.149 491 P CA 2.316 65.299 63.100 -0.195 0.000 0.817 491 P CB -0.359 31.365 31.700 0.040 0.000 0.785 492 A N -0.337 122.422 122.820 -0.102 0.000 1.933 492 A HA -0.166 4.154 4.320 0.001 0.000 0.218 492 A C 2.238 179.763 177.584 -0.098 0.000 1.175 492 A CA 1.358 53.349 52.037 -0.077 0.000 0.628 492 A CB -1.675 17.304 19.000 -0.035 0.000 0.814 492 A HN 0.115 nan 8.150 nan 0.000 0.444 493 L N -0.651 120.489 121.223 -0.139 0.000 2.012 493 L HA -0.174 4.166 4.340 0.001 0.000 0.210 493 L C 2.252 179.032 176.870 -0.151 0.000 1.073 493 L CA 1.180 55.938 54.840 -0.137 0.000 0.748 493 L CB -0.422 41.553 42.059 -0.140 0.000 0.891 493 L HN 0.373 nan 8.230 nan 0.000 0.431 494 L N -1.387 119.699 121.223 -0.228 0.000 2.552 494 L HA -0.049 4.291 4.340 0.001 0.000 0.227 494 L C 1.810 178.617 176.870 -0.105 0.000 1.146 494 L CA 0.171 54.912 54.840 -0.164 0.000 0.858 494 L CB 0.144 42.070 42.059 -0.221 0.000 0.969 494 L HN 0.112 nan 8.230 nan 0.000 0.451 495 V N -1.070 118.784 119.914 -0.101 0.000 3.604 495 V HA 0.050 4.170 4.120 0.001 0.000 0.277 495 V C 1.105 177.154 176.094 -0.074 0.000 1.399 495 V CA -0.046 62.211 62.300 -0.072 0.000 1.034 495 V CB 0.715 32.505 31.823 -0.054 0.000 0.824 495 V HN 0.320 nan 8.190 nan 0.000 0.439 496 E N 1.817 121.970 120.200 -0.079 0.000 2.418 496 E HA -0.030 4.320 4.350 0.001 0.000 0.261 496 E C 0.371 176.929 176.600 -0.070 0.000 1.070 496 E CA -0.209 56.140 56.400 -0.085 0.000 0.931 496 E CB 0.438 30.114 29.700 -0.040 0.000 0.954 496 E HN 0.285 nan 8.360 nan 0.000 0.439 497 K N 4.784 125.135 120.400 -0.082 0.000 2.436 497 K HA 0.111 4.431 4.320 0.001 0.000 0.282 497 K C -2.330 174.253 176.600 -0.028 0.000 1.044 497 K CA -1.332 54.923 56.287 -0.053 0.000 1.028 497 K CB 0.397 32.868 32.500 -0.049 0.000 0.919 497 K HN 0.234 nan 8.250 nan 0.000 0.474 498 P HA 0.137 nan 4.420 nan 0.000 0.275 498 P C -0.801 176.483 177.300 -0.027 0.000 1.228 498 P CA -0.420 62.656 63.100 -0.039 0.000 0.786 498 P CB 0.604 32.263 31.700 -0.068 0.000 0.927 499 R N 3.405 123.881 120.500 -0.040 0.000 2.817 499 R HA 0.057 4.397 4.340 0.001 0.000 0.264 499 R C -1.911 174.394 176.300 0.008 0.000 1.009 499 R CA -0.630 55.458 56.100 -0.020 0.000 1.133 499 R CB -1.398 28.829 30.300 -0.122 0.000 1.013 499 R HN 0.405 nan 8.270 nan 0.000 0.453 500 P HA -0.099 nan 4.420 nan 0.000 0.258 500 P C -0.852 176.452 177.300 0.006 0.000 1.187 500 P CA 0.766 63.899 63.100 0.055 0.000 0.767 500 P CB 0.244 32.016 31.700 0.121 0.000 0.770 501 D N -0.112 120.266 120.400 -0.036 0.000 2.983 501 D HA -0.217 4.423 4.640 0.001 0.000 0.225 501 D C 0.329 176.554 176.300 -0.125 0.000 1.174 501 D CA 1.457 55.410 54.000 -0.078 0.000 0.831 501 D CB -1.142 39.616 40.800 -0.071 0.000 1.104 501 D HN 0.484 nan 8.370 nan 0.000 0.421 502 A N -0.021 122.721 122.820 -0.129 0.000 2.281 502 A HA 0.667 4.988 4.320 0.001 0.000 0.329 502 A C 1.297 178.704 177.584 -0.294 0.000 1.122 502 A CA -0.383 51.527 52.037 -0.212 0.000 0.850 502 A CB 1.097 20.001 19.000 -0.160 0.000 1.207 502 A HN 0.135 nan 8.150 nan 0.000 0.495 503 I N -0.969 119.303 120.570 -0.496 0.000 2.617 503 I HA 0.129 4.300 4.170 0.001 0.000 0.256 503 I C -0.595 175.216 176.117 -0.510 0.000 1.167 503 I CA 0.666 61.584 61.300 -0.637 0.000 1.469 503 I CB -0.072 37.313 38.000 -1.025 0.000 1.098 503 I HN 0.473 nan 8.210 nan 0.000 0.436 504 F N -0.218 119.561 119.950 -0.285 0.000 2.618 504 F HA 0.640 5.167 4.527 0.001 0.000 0.332 504 F C 0.831 176.520 175.800 -0.186 0.000 1.061 504 F CA -1.323 56.524 58.000 -0.255 0.000 0.974 504 F CB 0.368 39.204 39.000 -0.274 0.000 1.310 504 F HN -0.249 nan 8.300 nan 0.000 0.491 505 G N -0.528 108.322 108.800 0.082 0.000 2.535 505 G HA2 0.274 4.234 3.960 0.001 0.000 0.303 505 G HA3 0.274 4.234 3.960 0.001 0.000 0.303 505 G C 0.601 175.509 174.900 0.013 0.000 1.237 505 G CA -0.336 44.777 45.100 0.022 0.000 0.986 505 G HN 0.747 nan 8.290 nan 0.000 0.494 506 E N -0.940 119.273 120.200 0.021 0.000 2.085 506 E HA -0.173 4.178 4.350 0.001 0.000 0.194 506 E C 2.220 178.812 176.600 -0.012 0.000 0.994 506 E CA 1.836 58.239 56.400 0.005 0.000 0.801 506 E CB -0.184 29.539 29.700 0.038 0.000 0.743 506 E HN 0.459 nan 8.360 nan 0.000 0.453 507 T N 1.044 115.599 114.554 0.002 0.000 2.708 507 T HA -0.205 4.146 4.350 0.001 0.000 0.266 507 T C 1.760 176.397 174.700 -0.104 0.000 1.037 507 T CA 1.605 63.679 62.100 -0.043 0.000 1.146 507 T CB -0.296 68.575 68.868 0.004 0.000 0.865 507 T HN 0.187 nan 8.240 nan 0.000 0.435 508 M N 1.320 120.850 119.600 -0.116 0.000 2.082 508 M HA -0.106 4.374 4.480 0.001 0.000 0.258 508 M C 2.097 178.292 176.300 -0.174 0.000 1.069 508 M CA 1.516 56.691 55.300 -0.210 0.000 1.102 508 M CB -0.675 31.672 32.600 -0.421 0.000 1.336 508 M HN 0.079 nan 8.290 nan 0.000 0.404 509 V N 0.149 120.008 119.914 -0.092 0.000 2.270 509 V HA -0.218 3.902 4.120 0.001 0.000 0.245 509 V C 2.416 178.498 176.094 -0.020 0.000 1.043 509 V CA 1.931 64.225 62.300 -0.010 0.000 1.014 509 V CB -0.944 30.892 31.823 0.021 0.000 0.645 509 V HN 0.431 nan 8.190 nan 0.000 0.447 510 E N -0.017 120.154 120.200 -0.048 0.000 2.208 510 E HA -0.058 4.292 4.350 0.001 0.000 0.193 510 E C 2.178 178.669 176.600 -0.182 0.000 0.988 510 E CA 0.808 57.182 56.400 -0.043 0.000 0.828 510 E CB -0.139 29.559 29.700 -0.002 0.000 0.763 510 E HN 0.474 nan 8.360 nan 0.000 0.478 511 L N -0.478 120.515 121.223 -0.383 0.000 2.131 511 L HA 0.027 4.368 4.340 0.001 0.000 0.206 511 L C 2.324 179.032 176.870 -0.269 0.000 1.087 511 L CA 1.318 55.706 54.840 -0.753 0.000 0.767 511 L CB -0.862 40.819 42.059 -0.629 0.000 0.917 511 L HN 0.156 nan 8.230 nan 0.000 0.441 512 G N -0.221 108.559 108.800 -0.032 0.000 2.396 512 G HA2 -0.128 3.832 3.960 0.001 0.000 0.214 512 G HA3 -0.128 3.832 3.960 0.001 0.000 0.214 512 G C 1.810 176.806 174.900 0.161 0.000 1.166 512 G CA 0.732 45.959 45.100 0.211 0.000 0.793 512 G HN 0.406 nan 8.290 nan 0.000 0.533 513 A N 1.699 124.567 122.820 0.080 0.000 1.908 513 A HA 0.034 4.355 4.320 0.001 0.000 0.218 513 A C 0.748 178.346 177.584 0.022 0.000 1.181 513 A CA 2.077 54.171 52.037 0.095 0.000 0.627 513 A CB -1.155 17.897 19.000 0.087 0.000 0.818 513 A HN 0.388 nan 8.150 nan 0.000 0.445 514 P HA -0.084 nan 4.420 nan 0.000 0.215 514 P C 1.202 178.371 177.300 -0.218 0.000 1.157 514 P CA 0.961 63.959 63.100 -0.169 0.000 0.859 514 P CB -0.220 31.325 31.700 -0.258 0.000 0.786 515 F N -0.392 119.393 119.950 -0.274 0.000 2.134 515 F HA -0.172 4.356 4.527 0.001 0.000 0.299 515 F C 2.738 178.152 175.800 -0.643 0.000 1.097 515 F CA 1.336 58.946 58.000 -0.650 0.000 1.264 515 F CB -0.843 37.306 39.000 -1.419 0.000 1.001 515 F HN -0.036 nan 8.300 nan 0.000 0.479 516 S N 0.661 116.259 115.700 -0.169 0.000 2.355 516 S HA -0.140 4.330 4.470 0.001 0.000 0.222 516 S C 1.979 176.682 174.600 0.172 0.000 1.031 516 S CA 1.125 59.453 58.200 0.213 0.000 0.993 516 S CB -0.462 63.017 63.200 0.466 0.000 0.859 516 S HN 0.317 nan 8.310 nan 0.000 0.453 517 L N 0.844 122.141 121.223 0.123 0.000 2.201 517 L HA 0.028 4.369 4.340 0.001 0.000 0.212 517 L C 2.871 179.826 176.870 0.140 0.000 1.105 517 L CA 0.905 55.820 54.840 0.125 0.000 0.775 517 L CB -0.389 41.727 42.059 0.095 0.000 0.913 517 L HN 0.226 nan 8.230 nan 0.000 0.440 518 K N 0.525 120.989 120.400 0.108 0.000 2.097 518 K HA -0.084 4.237 4.320 0.001 0.000 0.205 518 K C 1.996 178.669 176.600 0.122 0.000 1.050 518 K CA 1.432 57.804 56.287 0.143 0.000 0.938 518 K CB -0.353 32.171 32.500 0.040 0.000 0.718 518 K HN 0.357 nan 8.250 nan 0.000 0.442 519 G N 0.702 109.533 108.800 0.050 0.000 2.421 519 G HA2 -0.143 3.818 3.960 0.001 0.000 0.217 519 G HA3 -0.143 3.818 3.960 0.001 0.000 0.217 519 G C 1.447 176.395 174.900 0.080 0.000 1.143 519 G CA 0.076 45.175 45.100 -0.001 0.000 0.784 519 G HN 0.097 nan 8.290 nan 0.000 0.541 520 L N 0.375 121.680 121.223 0.137 0.000 2.007 520 L HA 0.173 4.514 4.340 0.001 0.000 0.205 520 L C 2.792 179.765 176.870 0.171 0.000 1.073 520 L CA 1.267 56.193 54.840 0.143 0.000 0.744 520 L CB -0.760 41.375 42.059 0.126 0.000 0.898 520 L HN 0.146 nan 8.230 nan 0.000 0.435 521 M N -1.159 118.566 119.600 0.209 0.000 2.447 521 M HA 0.105 4.585 4.480 0.001 0.000 0.264 521 M C 2.100 178.676 176.300 0.459 0.000 1.095 521 M CA 0.925 56.371 55.300 0.244 0.000 1.125 521 M CB -1.657 30.955 32.600 0.020 0.000 1.389 521 M HN 0.270 nan 8.290 nan 0.000 0.459 522 G N 0.707 109.776 108.800 0.448 0.000 2.484 522 G HA2 -0.153 3.808 3.960 0.001 0.000 0.218 522 G HA3 -0.153 3.808 3.960 0.001 0.000 0.218 522 G C 0.895 175.996 174.900 0.335 0.000 1.130 522 G CA -0.082 45.256 45.100 0.397 0.000 0.784 522 G HN 0.443 nan 8.290 nan 0.000 0.543 523 N N 1.292 120.144 118.700 0.253 0.000 2.293 523 N HA -0.015 4.726 4.740 0.001 0.000 0.253 523 N C -1.008 174.598 175.510 0.159 0.000 1.248 523 N CA -0.848 52.306 53.050 0.172 0.000 0.845 523 N CB 1.704 40.289 38.487 0.164 0.000 1.073 523 N HN -0.011 nan 8.380 nan 0.000 0.464 524 P HA -0.144 nan 4.420 nan 0.000 0.219 524 P C 1.434 178.540 177.300 -0.325 0.000 1.146 524 P CA 1.183 64.144 63.100 -0.231 0.000 0.808 524 P CB -0.187 31.236 31.700 -0.462 0.000 0.779 525 I N -3.689 116.842 120.570 -0.065 0.000 3.083 525 I HA -0.083 4.088 4.170 0.001 0.000 0.273 525 I C 1.454 177.860 176.117 0.482 0.000 1.297 525 I CA 1.101 62.578 61.300 0.295 0.000 1.452 525 I CB -1.169 37.189 38.000 0.597 0.000 1.078 525 I HN -0.163 nan 8.210 nan 0.000 0.484 526 C N 1.257 120.706 119.300 0.248 0.000 2.696 526 C HA 0.198 4.658 4.460 0.001 0.000 0.264 526 C C 1.753 176.769 174.990 0.043 0.000 1.288 526 C CA 0.207 59.319 59.018 0.157 0.000 1.717 526 C CB -1.582 26.294 27.740 0.228 0.000 1.893 526 C HN 0.710 nan 8.230 nan 0.000 0.577 527 S N 1.791 117.364 115.700 -0.213 0.000 2.592 527 S HA 0.227 4.697 4.470 0.001 0.000 0.271 527 S C -1.625 172.973 174.600 -0.003 0.000 1.326 527 S CA -0.618 57.234 58.200 -0.579 0.000 1.024 527 S CB 0.872 63.745 63.200 -0.544 0.000 0.921 527 S HN 0.052 nan 8.310 nan 0.000 0.527 528 P HA -0.129 nan 4.420 nan 0.000 0.215 528 P C 1.530 178.792 177.300 -0.062 0.000 1.157 528 P CA 1.195 64.087 63.100 -0.347 0.000 0.874 528 P CB 0.005 31.376 31.700 -0.549 0.000 0.790 529 Q N -2.216 117.572 119.800 -0.020 0.000 2.364 529 Q HA -0.110 4.231 4.340 0.001 0.000 0.207 529 Q C 1.771 177.737 176.000 -0.057 0.000 0.970 529 Q CA 1.330 57.113 55.803 -0.034 0.000 0.888 529 Q CB -0.521 28.196 28.738 -0.035 0.000 0.951 529 Q HN 0.489 nan 8.270 nan 0.000 0.469 530 Y N -2.283 118.019 120.300 0.004 0.000 2.522 530 Y HA 0.015 4.566 4.550 0.001 0.000 0.277 530 Y C 1.081 177.045 175.900 0.106 0.000 1.104 530 Y CA -0.250 57.861 58.100 0.018 0.000 1.260 530 Y CB 0.384 38.897 38.460 0.089 0.000 1.151 530 Y HN 0.170 nan 8.280 nan 0.000 0.539 531 W N 4.827 126.266 121.300 0.230 0.000 1.606 531 W HA 0.249 4.909 4.660 0.001 0.000 0.455 531 W C -0.808 175.834 176.519 0.206 0.000 0.711 531 W CA 0.033 57.605 57.345 0.379 0.000 1.876 531 W CB -0.478 29.291 29.460 0.516 0.000 1.776 531 W HN 0.062 nan 8.180 nan 0.000 0.229 532 K N 2.438 122.619 120.400 -0.365 0.000 2.568 532 K HA 0.370 4.691 4.320 0.001 0.000 0.273 532 K C -2.644 173.428 176.600 -0.880 0.000 0.951 532 K CA -1.489 54.417 56.287 -0.636 0.000 0.854 532 K CB 1.512 33.839 32.500 -0.287 0.000 1.424 532 K HN -0.292 nan 8.250 nan 0.000 0.427 533 P HA -0.286 nan 4.420 nan 0.000 0.216 533 P C 1.031 178.163 177.300 -0.279 0.000 1.154 533 P CA 2.060 64.779 63.100 -0.635 0.000 0.865 533 P CB 0.021 31.531 31.700 -0.316 0.000 0.789 534 S N -2.203 113.345 115.700 -0.254 0.000 2.447 534 S HA -0.099 4.372 4.470 0.001 0.000 0.233 534 S C 1.842 176.312 174.600 -0.216 0.000 1.006 534 S CA 1.526 59.641 58.200 -0.142 0.000 0.957 534 S CB -1.828 61.302 63.200 -0.117 0.000 0.773 534 S HN 0.134 nan 8.310 nan 0.000 0.507 535 T N 1.745 116.026 114.554 -0.455 0.000 2.803 535 T HA 0.014 4.365 4.350 0.001 0.000 0.269 535 T C 0.559 174.903 174.700 -0.593 0.000 1.052 535 T CA 1.180 62.886 62.100 -0.656 0.000 1.136 535 T CB -0.467 67.754 68.868 -1.078 0.000 0.864 535 T HN 0.632 nan 8.240 nan 0.000 0.467 536 F N 0.069 120.027 119.950 0.012 0.000 2.684 536 F HA 0.472 5.000 4.527 0.001 0.000 0.298 536 F C 1.563 177.462 175.800 0.166 0.000 1.120 536 F CA -0.491 57.575 58.000 0.111 0.000 1.332 536 F CB 0.191 39.285 39.000 0.155 0.000 0.986 536 F HN 0.174 nan 8.300 nan 0.000 0.524 537 G N 0.423 109.391 108.800 0.279 0.000 2.137 537 G HA2 0.128 4.088 3.960 0.001 0.000 0.237 537 G HA3 0.128 4.088 3.960 0.001 0.000 0.237 537 G C 0.515 175.597 174.900 0.304 0.000 1.002 537 G CA -0.012 45.300 45.100 0.353 0.000 0.702 537 G HN 1.210 nan 8.290 nan 0.000 0.515 538 G N -1.518 107.398 108.800 0.193 0.000 2.434 538 G HA2 0.240 4.201 3.960 0.001 0.000 0.671 538 G HA3 0.240 4.201 3.960 0.001 0.000 0.671 538 G C 0.328 175.310 174.900 0.137 0.000 1.280 538 G CA 0.477 45.654 45.100 0.129 0.000 0.975 538 G HN 0.457 nan 8.290 nan 0.000 0.510 539 E N -0.682 119.580 120.200 0.104 0.000 2.204 539 E HA -0.056 4.295 4.350 0.001 0.000 0.194 539 E C 2.772 179.466 176.600 0.156 0.000 0.989 539 E CA 1.429 57.920 56.400 0.152 0.000 0.824 539 E CB -0.105 29.657 29.700 0.102 0.000 0.756 539 E HN 0.390 nan 8.360 nan 0.000 0.477 540 V N 0.656 120.633 119.914 0.105 0.000 2.453 540 V HA -0.131 3.989 4.120 0.001 0.000 0.247 540 V C 2.391 178.554 176.094 0.116 0.000 1.048 540 V CA 1.842 64.190 62.300 0.079 0.000 1.049 540 V CB -0.861 30.979 31.823 0.029 0.000 0.672 540 V HN 0.297 nan 8.190 nan 0.000 0.457 541 G N -0.825 108.078 108.800 0.172 0.000 2.418 541 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 541 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 541 G C 1.542 176.578 174.900 0.227 0.000 1.158 541 G CA 0.751 45.983 45.100 0.219 0.000 0.771 541 G HN 0.409 nan 8.290 nan 0.000 0.545 542 F N 1.623 121.606 119.950 0.056 0.000 2.134 542 F HA 0.011 4.539 4.527 0.001 0.000 0.299 542 F C 2.509 178.258 175.800 -0.086 0.000 1.097 542 F CA 1.515 59.471 58.000 -0.074 0.000 1.264 542 F CB -0.262 38.723 39.000 -0.025 0.000 1.001 542 F HN 0.169 nan 8.300 nan 0.000 0.479 543 K N 0.322 120.755 120.400 0.055 0.000 2.148 543 K HA -0.141 4.180 4.320 0.001 0.000 0.204 543 K C 2.162 178.747 176.600 -0.025 0.000 1.050 543 K CA 1.409 57.678 56.287 -0.031 0.000 0.942 543 K CB -0.247 32.265 32.500 0.020 0.000 0.724 543 K HN 0.323 nan 8.250 nan 0.000 0.446 544 I N 0.904 121.481 120.570 0.012 0.000 2.226 544 I HA -0.298 3.873 4.170 0.001 0.000 0.245 544 I C 2.134 178.264 176.117 0.023 0.000 1.100 544 I CA 1.161 62.477 61.300 0.027 0.000 1.374 544 I CB -0.193 37.841 38.000 0.057 0.000 1.057 544 I HN 0.191 nan 8.210 nan 0.000 0.413 545 I N 0.700 121.258 120.570 -0.020 0.000 2.163 545 I HA -0.264 3.906 4.170 0.001 0.000 0.240 545 I C 2.008 178.156 176.117 0.051 0.000 1.081 545 I CA 1.306 62.618 61.300 0.019 0.000 1.353 545 I CB -0.523 37.440 38.000 -0.063 0.000 1.054 545 I HN 0.274 nan 8.210 nan 0.000 0.407 546 N N 0.406 119.060 118.700 -0.077 0.000 2.520 546 N HA -0.105 4.635 4.740 0.001 0.000 0.185 546 N C 1.599 177.112 175.510 0.004 0.000 1.068 546 N CA 1.756 54.776 53.050 -0.049 0.000 0.911 546 N CB -0.198 38.153 38.487 -0.226 0.000 0.961 546 N HN 0.503 nan 8.380 nan 0.000 0.446 547 T N -3.199 111.357 114.554 0.004 0.000 3.054 547 T HA 0.434 4.784 4.350 0.001 0.000 0.255 547 T C 0.737 175.453 174.700 0.026 0.000 1.035 547 T CA -0.405 61.703 62.100 0.013 0.000 0.941 547 T CB 0.269 69.138 68.868 0.002 0.000 1.026 547 T HN 0.100 nan 8.240 nan 0.000 0.533 548 A N 2.006 124.855 122.820 0.048 0.000 2.531 548 A HA 0.580 4.901 4.320 0.001 0.000 0.236 548 A C 0.649 178.257 177.584 0.041 0.000 1.062 548 A CA 0.062 52.131 52.037 0.053 0.000 0.760 548 A CB -0.097 18.965 19.000 0.103 0.000 0.995 548 A HN 1.093 nan 8.150 nan 0.000 0.501 549 S N 1.023 116.725 115.700 0.003 0.000 2.588 549 S HA 0.433 4.904 4.470 0.001 0.000 0.269 549 S C 0.394 174.944 174.600 -0.085 0.000 1.157 549 S CA -0.075 58.107 58.200 -0.030 0.000 0.824 549 S CB 0.526 63.694 63.200 -0.053 0.000 1.126 549 S HN 1.161 nan 8.310 nan 0.000 0.464 550 I N 1.373 121.855 120.570 -0.148 0.000 2.264 550 I HA -0.094 4.077 4.170 0.001 0.000 0.248 550 I C 2.452 178.411 176.117 -0.263 0.000 1.111 550 I CA 2.096 63.251 61.300 -0.241 0.000 1.382 550 I CB -0.571 37.087 38.000 -0.569 0.000 1.060 550 I HN 0.930 nan 8.210 nan 0.000 0.418 551 Q N 0.387 120.025 119.800 -0.270 0.000 2.046 551 Q HA -0.163 4.177 4.340 0.001 0.000 0.200 551 Q C 2.290 178.182 176.000 -0.180 0.000 0.975 551 Q CA 2.584 58.227 55.803 -0.266 0.000 0.836 551 Q CB -0.413 28.169 28.738 -0.260 0.000 0.896 551 Q HN 0.649 nan 8.270 nan 0.000 0.428 552 S N 0.469 116.089 115.700 -0.132 0.000 2.383 552 S HA -0.153 4.317 4.470 0.001 0.000 0.227 552 S C 1.825 176.352 174.600 -0.122 0.000 1.026 552 S CA 1.050 59.189 58.200 -0.101 0.000 0.981 552 S CB -0.716 62.445 63.200 -0.065 0.000 0.818 552 S HN 0.416 nan 8.310 nan 0.000 0.472 553 L N 1.525 122.657 121.223 -0.151 0.000 1.990 553 L HA -0.047 4.293 4.340 0.001 0.000 0.213 553 L C 2.083 178.822 176.870 -0.219 0.000 1.072 553 L CA 1.690 56.398 54.840 -0.220 0.000 0.755 553 L CB -0.824 41.054 42.059 -0.302 0.000 0.889 553 L HN 0.198 nan 8.230 nan 0.000 0.432 554 I N -1.089 119.364 120.570 -0.196 0.000 2.286 554 I HA -0.252 3.919 4.170 0.001 0.000 0.245 554 I C 2.781 178.808 176.117 -0.150 0.000 1.104 554 I CA 1.445 62.637 61.300 -0.181 0.000 1.397 554 I CB -0.865 37.032 38.000 -0.172 0.000 1.072 554 I HN 0.545 nan 8.210 nan 0.000 0.417 555 c N 1.154 119.673 118.600 -0.134 0.000 2.398 555 c HA -0.200 4.370 4.570 0.001 0.000 0.276 555 c C 2.715 176.751 174.090 -0.090 0.000 1.222 555 c CA 1.363 57.633 56.329 -0.098 0.000 1.746 555 c CB -1.301 41.160 42.510 -0.082 0.000 2.039 555 c HN 0.523 nan 8.230 nan 0.000 0.470 556 N N 0.981 119.622 118.700 -0.098 0.000 2.453 556 N HA -0.029 4.711 4.740 0.001 0.000 0.183 556 N C 1.048 176.497 175.510 -0.102 0.000 1.041 556 N CA 0.994 53.991 53.050 -0.087 0.000 0.900 556 N CB -0.390 38.049 38.487 -0.080 0.000 0.961 556 N HN 0.693 nan 8.380 nan 0.000 0.443 557 N N -0.710 117.913 118.700 -0.128 0.000 2.211 557 N HA 0.086 4.826 4.740 0.001 0.000 0.216 557 N C -0.404 175.011 175.510 -0.159 0.000 1.240 557 N CA 0.102 53.062 53.050 -0.150 0.000 0.895 557 N CB 1.806 40.184 38.487 -0.182 0.000 1.102 557 N HN -0.115 nan 8.380 nan 0.000 0.498 558 V N 1.829 121.658 119.914 -0.141 0.000 2.547 558 V HA 0.253 4.373 4.120 0.001 0.000 0.299 558 V C 0.510 176.548 176.094 -0.093 0.000 1.040 558 V CA -1.025 61.198 62.300 -0.129 0.000 0.913 558 V CB 2.456 34.206 31.823 -0.122 0.000 0.992 558 V HN -0.035 nan 8.190 nan 0.000 0.449 559 K N 2.232 122.582 120.400 -0.084 0.000 2.401 559 K HA 0.410 4.730 4.320 0.001 0.000 0.278 559 K C 1.067 177.645 176.600 -0.037 0.000 1.018 559 K CA 0.984 57.237 56.287 -0.057 0.000 0.981 559 K CB 0.390 32.860 32.500 -0.049 0.000 0.933 559 K HN 1.140 nan 8.250 nan 0.000 0.477 560 G N 2.971 111.754 108.800 -0.027 0.000 2.143 560 G HA2 -0.317 3.643 3.960 0.001 0.000 0.249 560 G HA3 -0.317 3.643 3.960 0.001 0.000 0.249 560 G C 0.380 175.273 174.900 -0.011 0.000 0.981 560 G CA -0.113 44.979 45.100 -0.014 0.000 0.665 560 G HN 1.103 nan 8.290 nan 0.000 0.528 561 c N 0.859 119.444 118.600 -0.026 0.000 2.955 561 c HA -0.079 4.491 4.570 0.001 0.000 0.234 561 c C -0.207 173.879 174.090 -0.006 0.000 1.398 561 c CA -0.178 56.134 56.329 -0.029 0.000 2.269 561 c CB -1.614 40.881 42.510 -0.025 0.000 1.470 561 c HN 0.751 nan 8.230 nan 0.000 0.438 562 P HA 0.137 nan 4.420 nan 0.000 0.265 562 P C -0.082 177.246 177.300 0.046 0.000 1.193 562 P CA 0.179 63.297 63.100 0.031 0.000 0.765 562 P CB 0.327 32.034 31.700 0.011 0.000 0.823 563 F N 2.819 122.746 119.950 -0.037 0.000 2.529 563 F HA 0.305 4.832 4.527 0.001 0.000 0.365 563 F C 0.554 176.327 175.800 -0.044 0.000 1.102 563 F CA 1.105 59.080 58.000 -0.043 0.000 1.271 563 F CB 0.669 39.648 39.000 -0.035 0.000 1.120 563 F HN 0.321 nan 8.300 nan 0.000 0.579 564 T N 3.718 117.743 114.554 -0.882 0.000 2.816 564 T HA 0.632 4.982 4.350 0.001 0.000 0.299 564 T C -1.211 172.916 174.700 -0.955 0.000 1.230 564 T CA -0.056 61.657 62.100 -0.645 0.000 1.007 564 T CB 1.415 70.092 68.868 -0.319 0.000 1.289 564 T HN 0.970 nan 8.240 nan 0.000 0.508 565 S N 0.304 115.694 115.700 -0.515 0.000 2.655 565 S HA 0.500 4.970 4.470 0.001 0.000 0.266 565 S C -0.983 173.426 174.600 -0.318 0.000 1.149 565 S CA -0.604 57.312 58.200 -0.474 0.000 0.818 565 S CB 0.234 63.292 63.200 -0.238 0.000 1.130 565 S HN 0.633 nan 8.310 nan 0.000 0.476 566 F N 1.945 121.790 119.950 -0.175 0.000 2.727 566 F HA 0.333 4.860 4.527 0.001 0.000 0.302 566 F C 0.946 176.439 175.800 -0.511 0.000 1.097 566 F CA -0.419 57.417 58.000 -0.274 0.000 1.330 566 F CB 0.394 39.174 39.000 -0.366 0.000 1.084 566 F HN 0.653 nan 8.300 nan 0.000 0.578 567 N N -1.012 117.596 118.700 -0.153 0.000 2.284 567 N HA 0.178 4.918 4.740 0.001 0.000 0.289 567 N C -1.073 174.456 175.510 0.031 0.000 1.179 567 N CA -0.701 52.296 53.050 -0.088 0.000 0.774 567 N CB 1.456 39.926 38.487 -0.029 0.000 1.548 567 N HN -0.226 nan 8.380 nan 0.000 0.473 568 V N 1.951 121.892 119.914 0.046 0.000 2.393 568 V HA 0.021 4.142 4.120 0.001 0.000 0.257 568 V C 1.214 177.342 176.094 0.057 0.000 1.040 568 V CA -0.230 62.109 62.300 0.065 0.000 1.097 568 V CB -0.916 30.940 31.823 0.055 0.000 1.101 568 V HN 0.590 nan 8.190 nan 0.000 0.479 569 Q N 0.000 119.847 119.800 0.079 0.000 2.315 569 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 569 Q CA 0.000 55.842 55.803 0.064 0.000 1.022 569 Q CB 0.000 28.769 28.738 0.052 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481