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 1w1t_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.706 174.700 0.010 0.000 1.109 3 T CA 0.000 62.113 62.100 0.021 0.000 1.349 3 T CB 0.000 68.883 68.868 0.026 0.000 0.612 4 R N 2.317 122.828 120.500 0.018 0.000 2.585 4 R HA 0.150 4.490 4.340 -0.000 0.000 0.275 4 R C -0.090 176.179 176.300 -0.051 0.000 1.018 4 R CA -0.126 55.975 56.100 0.002 0.000 1.072 4 R CB 0.407 30.726 30.300 0.032 0.000 0.953 4 R HN 0.270 nan 8.270 nan 0.000 0.419 5 K N 2.519 122.808 120.400 -0.185 0.000 2.298 5 K HA 0.153 4.473 4.320 -0.000 0.000 0.280 5 K C -0.256 176.218 176.600 -0.209 0.000 1.032 5 K CA -0.056 56.008 56.287 -0.372 0.000 0.958 5 K CB 1.412 33.237 32.500 -1.124 0.000 0.978 5 K HN 0.716 nan 8.250 nan 0.000 0.472 6 A N 2.062 124.776 122.820 -0.178 0.000 2.407 6 A HA 0.326 4.646 4.320 -0.000 0.000 0.248 6 A C -0.300 177.257 177.584 -0.045 0.000 1.082 6 A CA -0.398 51.566 52.037 -0.121 0.000 0.785 6 A CB 0.402 19.111 19.000 -0.485 0.000 1.020 6 A HN 0.361 nan 8.150 nan 0.000 0.489 7 V N 4.212 124.176 119.914 0.084 0.000 2.398 7 V HA 0.270 4.390 4.120 -0.000 0.000 0.282 7 V C -0.592 175.561 176.094 0.098 0.000 1.014 7 V CA 0.050 62.456 62.300 0.177 0.000 0.838 7 V CB 0.856 32.846 31.823 0.278 0.000 1.018 7 V HN 0.711 nan 8.190 nan 0.000 0.432 8 I N 4.291 124.824 120.570 -0.061 0.000 2.330 8 I HA 0.602 4.772 4.170 -0.000 0.000 0.286 8 I C 0.810 176.559 176.117 -0.614 0.000 1.025 8 I CA -0.192 60.965 61.300 -0.239 0.000 1.197 8 I CB 1.618 39.424 38.000 -0.323 0.000 1.358 8 I HN 0.648 nan 8.210 nan 0.000 0.467 9 G N 5.306 113.657 108.800 -0.748 0.000 2.416 9 G HA2 0.486 4.446 3.960 -0.000 0.000 0.324 9 G HA3 0.486 4.446 3.960 -0.000 0.000 0.324 9 G C -1.177 173.375 174.900 -0.580 0.000 1.194 9 G CA -0.336 43.923 45.100 -1.402 0.000 0.922 9 G HN 0.332 nan 8.290 nan 0.000 0.467 10 Y N 0.837 120.858 120.300 -0.465 0.000 2.359 10 Y HA 0.270 4.820 4.550 -0.000 0.000 0.330 10 Y C -0.193 175.637 175.900 -0.117 0.000 1.143 10 Y CA 0.326 58.318 58.100 -0.181 0.000 1.318 10 Y CB 1.183 39.603 38.460 -0.067 0.000 1.234 10 Y HN 0.530 nan 8.280 nan 0.000 0.522 11 Y N 6.053 126.338 120.300 -0.026 0.000 2.388 11 Y HA 0.372 4.922 4.550 -0.000 0.000 0.328 11 Y C -1.722 174.085 175.900 -0.155 0.000 0.963 11 Y CA -1.641 56.470 58.100 0.018 0.000 1.240 11 Y CB 0.287 38.843 38.460 0.161 0.000 1.118 11 Y HN 0.506 nan 8.280 nan 0.000 0.484 12 F N 8.300 127.755 119.950 -0.825 0.000 2.436 12 F HA 0.683 5.210 4.527 -0.000 0.000 0.340 12 F C -1.566 173.820 175.800 -0.691 0.000 1.113 12 F CA -1.470 56.065 58.000 -0.775 0.000 1.022 12 F CB 0.938 39.402 39.000 -0.894 0.000 1.128 12 F HN 0.456 nan 8.300 nan 0.000 0.466 13 I N 9.146 128.883 120.570 -1.390 0.000 2.534 13 I HA 0.418 4.588 4.170 -0.000 0.000 0.286 13 I C -2.527 173.070 176.117 -0.867 0.000 1.094 13 I CA -2.483 58.255 61.300 -0.936 0.000 1.055 13 I CB 2.064 39.930 38.000 -0.222 0.000 1.225 13 I HN 0.431 nan 8.210 nan 0.000 0.435 14 P HA 0.102 nan 4.420 nan 0.000 0.269 14 P C 0.490 177.759 177.300 -0.053 0.000 1.215 14 P CA -0.016 62.906 63.100 -0.297 0.000 0.780 14 P CB 0.783 32.410 31.700 -0.123 0.000 0.898 15 T N 1.828 116.425 114.554 0.072 0.000 2.665 15 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 15 T C 1.586 176.346 174.700 0.101 0.000 1.035 15 T CA 2.474 64.658 62.100 0.139 0.000 1.151 15 T CB -1.078 67.895 68.868 0.176 0.000 0.862 15 T HN 0.677 nan 8.240 nan 0.000 0.438 16 N N 1.427 120.170 118.700 0.071 0.000 2.289 16 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 16 N C 1.759 177.307 175.510 0.063 0.000 1.016 16 N CA 1.215 54.302 53.050 0.061 0.000 0.872 16 N CB -0.459 38.055 38.487 0.045 0.000 0.973 16 N HN 0.460 nan 8.380 nan 0.000 0.433 17 Q N -0.218 119.616 119.800 0.057 0.000 2.187 17 Q HA 0.145 4.485 4.340 -0.000 0.000 0.199 17 Q C 1.979 178.086 176.000 0.177 0.000 0.957 17 Q CA 0.747 56.600 55.803 0.085 0.000 0.857 17 Q CB 0.012 28.780 28.738 0.050 0.000 0.929 17 Q HN 0.483 nan 8.270 nan 0.000 0.453 18 I N 1.346 122.020 120.570 0.173 0.000 2.179 18 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 18 I C 1.476 177.689 176.117 0.161 0.000 1.088 18 I CA 0.862 62.284 61.300 0.204 0.000 1.357 18 I CB -0.261 37.850 38.000 0.185 0.000 1.051 18 I HN 0.201 nan 8.210 nan 0.000 0.409 19 N N 1.090 119.858 118.700 0.113 0.000 2.443 19 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 19 N C 0.680 176.241 175.510 0.084 0.000 1.037 19 N CA 0.943 54.041 53.050 0.080 0.000 0.896 19 N CB -0.330 38.195 38.487 0.064 0.000 0.959 19 N HN 0.440 nan 8.380 nan 0.000 0.442 20 N N -0.551 118.212 118.700 0.104 0.000 2.299 20 N HA -0.030 4.710 4.740 -0.000 0.000 0.246 20 N C -0.618 174.944 175.510 0.088 0.000 1.254 20 N CA -0.321 52.775 53.050 0.076 0.000 0.879 20 N CB 0.339 38.853 38.487 0.045 0.000 1.214 20 N HN 0.176 nan 8.380 nan 0.000 0.510 21 Y N 2.453 122.769 120.300 0.027 0.000 2.881 21 Y HA -0.056 4.494 4.550 -0.000 0.000 0.335 21 Y C 0.637 176.549 175.900 0.021 0.000 1.263 21 Y CA 1.002 59.122 58.100 0.033 0.000 1.572 21 Y CB 0.343 38.829 38.460 0.043 0.000 1.237 21 Y HN -0.096 nan 8.280 nan 0.000 0.568 22 T N 4.826 118.967 114.554 -0.689 0.000 2.932 22 T HA 0.314 4.664 4.350 -0.000 0.000 0.318 22 T C -0.310 174.022 174.700 -0.615 0.000 1.265 22 T CA -0.684 61.133 62.100 -0.472 0.000 1.036 22 T CB 1.220 69.965 68.868 -0.204 0.000 1.209 22 T HN 0.744 nan 8.240 nan 0.000 0.484 23 E N 1.415 121.400 120.200 -0.359 0.000 2.538 23 E HA 0.129 4.479 4.350 -0.000 0.000 0.207 23 E C 0.762 177.284 176.600 -0.131 0.000 1.002 23 E CA 0.157 56.413 56.400 -0.239 0.000 0.952 23 E CB 0.627 30.258 29.700 -0.114 0.000 1.031 23 E HN 0.751 nan 8.360 nan 0.000 0.476 24 T N -2.036 112.448 114.554 -0.117 0.000 3.084 24 T HA 0.132 4.482 4.350 -0.000 0.000 0.270 24 T C 0.092 174.756 174.700 -0.060 0.000 1.008 24 T CA -0.394 61.664 62.100 -0.069 0.000 0.900 24 T CB 0.401 69.239 68.868 -0.049 0.000 1.084 24 T HN -0.177 nan 8.240 nan 0.000 0.538 25 D N 1.870 122.224 120.400 -0.077 0.000 2.323 25 D HA 0.182 4.822 4.640 -0.000 0.000 0.242 25 D C 1.231 177.499 176.300 -0.052 0.000 1.347 25 D CA -0.073 53.895 54.000 -0.054 0.000 0.988 25 D CB 1.713 42.483 40.800 -0.050 0.000 1.314 25 D HN 0.177 nan 8.370 nan 0.000 0.564 26 T N -0.878 113.658 114.554 -0.031 0.000 2.977 26 T HA -0.169 4.181 4.350 -0.000 0.000 0.271 26 T C 1.723 176.418 174.700 -0.009 0.000 1.105 26 T CA 1.492 63.585 62.100 -0.012 0.000 1.116 26 T CB -0.093 68.782 68.868 0.011 0.000 0.878 26 T HN 0.211 nan 8.240 nan 0.000 0.509 27 S N 0.321 116.012 115.700 -0.015 0.000 2.474 27 S HA 0.022 4.492 4.470 -0.000 0.000 0.235 27 S C 1.758 176.351 174.600 -0.013 0.000 0.997 27 S CA 0.634 58.827 58.200 -0.012 0.000 0.949 27 S CB -0.459 62.734 63.200 -0.011 0.000 0.766 27 S HN 0.442 nan 8.310 nan 0.000 0.517 28 V N 0.131 120.032 119.914 -0.023 0.000 2.743 28 V HA 0.304 4.424 4.120 -0.000 0.000 0.237 28 V C 0.489 176.569 176.094 -0.024 0.000 1.113 28 V CA 0.342 62.628 62.300 -0.023 0.000 1.141 28 V CB 0.434 32.237 31.823 -0.034 0.000 0.873 28 V HN 0.384 nan 8.190 nan 0.000 0.486 29 V N 2.151 122.034 119.914 -0.050 0.000 2.305 29 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 29 V C -1.808 174.285 176.094 -0.003 0.000 1.020 29 V CA -1.010 61.266 62.300 -0.040 0.000 0.811 29 V CB 1.278 33.011 31.823 -0.149 0.000 1.031 29 V HN 0.306 nan 8.190 nan 0.000 0.439 30 P HA -0.122 nan 4.420 nan 0.000 0.215 30 P C 0.259 177.679 177.300 0.200 0.000 1.153 30 P CA 1.272 64.430 63.100 0.096 0.000 0.853 30 P CB 0.201 31.957 31.700 0.095 0.000 0.788 31 F N 0.952 120.930 119.950 0.046 0.000 2.564 31 F HA 0.413 4.940 4.527 -0.000 0.000 0.361 31 F C -2.590 173.350 175.800 0.233 0.000 1.161 31 F CA -3.241 54.828 58.000 0.115 0.000 1.198 31 F CB 0.655 39.720 39.000 0.108 0.000 1.424 31 F HN -0.166 nan 8.300 nan 0.000 0.517 32 P HA 0.056 nan 4.420 nan 0.000 0.274 32 P C 0.960 178.213 177.300 -0.080 0.000 1.246 32 P CA -0.083 63.028 63.100 0.019 0.000 0.795 32 P CB 1.864 33.486 31.700 -0.129 0.000 1.006 33 V N 1.025 121.016 119.914 0.127 0.000 2.490 33 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 33 V C 2.582 178.614 176.094 -0.103 0.000 1.061 33 V CA 2.622 64.862 62.300 -0.100 0.000 1.064 33 V CB -1.717 30.034 31.823 -0.119 0.000 0.670 33 V HN 0.713 nan 8.190 nan 0.000 0.461 34 S N 0.104 115.775 115.700 -0.048 0.000 2.469 34 S HA -0.208 4.262 4.470 -0.000 0.000 0.238 34 S C 1.506 176.057 174.600 -0.082 0.000 0.998 34 S CA 1.633 59.807 58.200 -0.044 0.000 0.957 34 S CB -0.890 62.298 63.200 -0.020 0.000 0.764 34 S HN 0.766 nan 8.310 nan 0.000 0.514 35 N N 0.724 119.307 118.700 -0.195 0.000 2.494 35 N HA 0.186 4.926 4.740 -0.000 0.000 0.182 35 N C -0.212 175.284 175.510 -0.023 0.000 1.076 35 N CA 0.326 53.284 53.050 -0.154 0.000 0.908 35 N CB -0.066 38.219 38.487 -0.337 0.000 0.967 35 N HN 0.457 nan 8.380 nan 0.000 0.449 36 I N 2.490 123.037 120.570 -0.039 0.000 2.243 36 I HA 0.007 4.177 4.170 -0.000 0.000 0.297 36 I C 0.834 176.977 176.117 0.042 0.000 1.161 36 I CA -0.393 60.964 61.300 0.096 0.000 1.298 36 I CB -0.156 37.914 38.000 0.116 0.000 1.475 36 I HN 0.043 nan 8.210 nan 0.000 0.561 37 T N 2.526 117.100 114.554 0.032 0.000 2.748 37 T HA 0.142 4.492 4.350 -0.000 0.000 0.304 37 T C -1.631 173.008 174.700 -0.101 0.000 1.041 37 T CA -1.240 60.839 62.100 -0.034 0.000 1.033 37 T CB 0.703 69.559 68.868 -0.020 0.000 0.995 37 T HN 0.188 nan 8.240 nan 0.000 0.536 38 P HA -0.045 nan 4.420 nan 0.000 0.216 38 P C 1.688 178.880 177.300 -0.181 0.000 1.150 38 P CA 1.583 64.374 63.100 -0.516 0.000 0.837 38 P CB -0.348 30.898 31.700 -0.756 0.000 0.786 39 A N -0.157 122.603 122.820 -0.100 0.000 1.933 39 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 39 A C 2.065 179.659 177.584 0.016 0.000 1.175 39 A CA 1.751 53.771 52.037 -0.028 0.000 0.628 39 A CB -0.957 18.033 19.000 -0.016 0.000 0.814 39 A HN 0.167 nan 8.150 nan 0.000 0.444 40 K N -0.389 120.033 120.400 0.037 0.000 2.103 40 K HA 0.068 4.387 4.320 -0.000 0.000 0.204 40 K C 2.264 178.931 176.600 0.112 0.000 1.052 40 K CA 0.912 57.257 56.287 0.096 0.000 0.945 40 K CB -0.278 32.309 32.500 0.145 0.000 0.722 40 K HN 0.410 nan 8.250 nan 0.000 0.443 41 A N 1.989 124.860 122.820 0.085 0.000 1.972 41 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 41 A C 1.777 179.424 177.584 0.104 0.000 1.169 41 A CA 1.474 53.576 52.037 0.110 0.000 0.635 41 A CB -0.253 18.825 19.000 0.131 0.000 0.810 41 A HN 0.197 nan 8.150 nan 0.000 0.446 42 K N -0.630 119.819 120.400 0.082 0.000 2.288 42 K HA -0.068 4.252 4.320 -0.000 0.000 0.201 42 K C 1.909 178.558 176.600 0.082 0.000 1.048 42 K CA 1.197 57.530 56.287 0.077 0.000 0.956 42 K CB -0.060 32.475 32.500 0.059 0.000 0.746 42 K HN 0.601 nan 8.250 nan 0.000 0.461 43 Q N 0.153 120.008 119.800 0.092 0.000 2.424 43 Q HA 0.107 4.447 4.340 -0.000 0.000 0.204 43 Q C 0.009 176.099 176.000 0.149 0.000 0.933 43 Q CA 0.204 56.071 55.803 0.106 0.000 0.929 43 Q CB 0.296 29.088 28.738 0.089 0.000 1.037 43 Q HN 0.194 nan 8.270 nan 0.000 0.511 44 L N -0.276 121.039 121.223 0.153 0.000 2.360 44 L HA 0.218 4.558 4.340 -0.000 0.000 0.271 44 L C 1.219 178.159 176.870 0.116 0.000 1.057 44 L CA -0.155 54.786 54.840 0.168 0.000 0.803 44 L CB 1.474 43.634 42.059 0.169 0.000 1.207 44 L HN 0.052 nan 8.230 nan 0.000 0.445 45 T N -3.702 110.927 114.554 0.125 0.000 2.978 45 T HA 0.244 4.594 4.350 -0.000 0.000 0.248 45 T C 0.219 174.847 174.700 -0.120 0.000 1.018 45 T CA 0.084 62.208 62.100 0.041 0.000 1.026 45 T CB 0.075 69.025 68.868 0.137 0.000 1.032 45 T HN 0.528 nan 8.240 nan 0.000 0.485 46 H N -0.518 118.551 119.070 -0.001 0.000 2.930 46 H HA 0.701 5.257 4.556 -0.000 0.000 0.371 46 H C -1.397 173.894 175.328 -0.061 0.000 1.169 46 H CA -0.895 55.139 56.048 -0.022 0.000 1.157 46 H CB 1.710 31.431 29.762 -0.067 0.000 1.789 46 H HN 0.141 nan 8.280 nan 0.000 0.547 47 I N 2.149 122.779 120.570 0.099 0.000 2.418 47 I HA 0.228 4.398 4.170 -0.000 0.000 0.287 47 I C -0.594 175.526 176.117 0.005 0.000 1.008 47 I CA -0.787 60.535 61.300 0.038 0.000 1.104 47 I CB 1.341 39.412 38.000 0.119 0.000 1.264 47 I HN 0.492 nan 8.210 nan 0.000 0.438 48 N N 6.411 124.990 118.700 -0.200 0.000 2.500 48 N HA 0.204 4.944 4.740 -0.000 0.000 0.236 48 N C -0.655 174.787 175.510 -0.113 0.000 1.022 48 N CA -0.274 52.590 53.050 -0.310 0.000 0.935 48 N CB 0.506 38.420 38.487 -0.955 0.000 1.147 48 N HN 0.368 nan 8.380 nan 0.000 0.512 49 F N 2.517 122.452 119.950 -0.025 0.000 2.538 49 F HA 0.275 4.802 4.527 -0.000 0.000 0.371 49 F C 0.452 176.242 175.800 -0.016 0.000 1.087 49 F CA -0.177 57.886 58.000 0.104 0.000 1.250 49 F CB 0.361 39.502 39.000 0.235 0.000 1.110 49 F HN 0.383 nan 8.300 nan 0.000 0.570 50 S N 4.952 120.099 115.700 -0.922 0.000 2.556 50 S HA 0.729 5.199 4.470 -0.000 0.000 0.271 50 S C -1.395 172.879 174.600 -0.544 0.000 1.135 50 S CA -0.881 56.869 58.200 -0.750 0.000 0.858 50 S CB 1.523 64.060 63.200 -1.105 0.000 1.114 50 S HN 0.472 nan 8.310 nan 0.000 0.468 51 F N 0.456 120.490 119.950 0.140 0.000 2.546 51 F HA 0.757 5.284 4.527 -0.000 0.000 0.320 51 F C -0.337 175.580 175.800 0.194 0.000 1.076 51 F CA -0.885 57.261 58.000 0.242 0.000 0.928 51 F CB 1.645 40.902 39.000 0.429 0.000 1.189 51 F HN 0.538 nan 8.300 nan 0.000 0.465 52 L N 1.249 122.683 121.223 0.351 0.000 2.335 52 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 52 L C -0.565 176.389 176.870 0.139 0.000 1.016 52 L CA -0.270 54.620 54.840 0.085 0.000 0.805 52 L CB 1.366 43.354 42.059 -0.117 0.000 1.311 52 L HN 0.593 nan 8.230 nan 0.000 0.456 53 D N -1.207 119.149 120.400 -0.074 0.000 2.744 53 D HA 0.529 5.169 4.640 -0.000 0.000 0.304 53 D C -1.445 174.737 176.300 -0.197 0.000 1.179 53 D CA -0.352 53.503 54.000 -0.241 0.000 1.024 53 D CB 1.469 41.810 40.800 -0.765 0.000 1.453 53 D HN 0.256 nan 8.370 nan 0.000 0.529 54 I N 2.285 122.626 120.570 -0.383 0.000 2.389 54 I HA 0.307 4.477 4.170 -0.000 0.000 0.288 54 I C -0.058 175.848 176.117 -0.351 0.000 0.999 54 I CA -0.879 60.151 61.300 -0.450 0.000 1.129 54 I CB 1.283 38.684 38.000 -0.998 0.000 1.288 54 I HN 0.335 nan 8.210 nan 0.000 0.444 55 N N 3.362 121.939 118.700 -0.205 0.000 2.418 55 N HA 0.126 4.866 4.740 -0.000 0.000 0.283 55 N C 0.865 176.287 175.510 -0.146 0.000 1.267 55 N CA -0.590 52.371 53.050 -0.147 0.000 0.975 55 N CB 0.272 38.717 38.487 -0.070 0.000 1.167 55 N HN 0.514 nan 8.380 nan 0.000 0.581 56 S N -1.863 113.778 115.700 -0.099 0.000 2.469 56 S HA -0.163 4.307 4.470 -0.000 0.000 0.238 56 S C 1.134 175.688 174.600 -0.077 0.000 0.998 56 S CA 0.887 59.033 58.200 -0.089 0.000 0.957 56 S CB -0.641 62.525 63.200 -0.058 0.000 0.764 56 S HN 0.709 nan 8.310 nan 0.000 0.514 57 N N 1.354 120.017 118.700 -0.061 0.000 2.461 57 N HA 0.162 4.902 4.740 -0.000 0.000 0.188 57 N C 0.332 175.814 175.510 -0.048 0.000 1.134 57 N CA -0.030 52.996 53.050 -0.041 0.000 0.878 57 N CB -0.763 37.714 38.487 -0.017 0.000 0.972 57 N HN 0.491 nan 8.380 nan 0.000 0.456 58 L N -0.632 120.535 121.223 -0.093 0.000 3.717 58 L HA -0.266 4.074 4.340 -0.000 0.000 0.411 58 L C -0.772 176.087 176.870 -0.019 0.000 1.233 58 L CA 0.671 55.435 54.840 -0.126 0.000 0.917 58 L CB -1.860 40.129 42.059 -0.116 0.000 1.902 58 L HN 0.334 nan 8.230 nan 0.000 0.894 59 E N -0.677 119.531 120.200 0.013 0.000 2.299 59 E HA 0.405 4.755 4.350 -0.000 0.000 0.265 59 E C -0.363 176.304 176.600 0.112 0.000 0.911 59 E CA -0.779 55.693 56.400 0.120 0.000 0.789 59 E CB 2.707 32.445 29.700 0.063 0.000 1.246 59 E HN 0.277 nan 8.360 nan 0.000 0.427 60 C N 1.935 121.337 119.300 0.169 0.000 2.637 60 C HA 0.678 5.138 4.460 -0.000 0.000 0.418 60 C C -0.025 174.993 174.990 0.046 0.000 1.319 60 C CA 0.192 59.287 59.018 0.128 0.000 1.949 60 C CB -1.545 26.258 27.740 0.106 0.000 2.639 60 C HN 0.655 nan 8.230 nan 0.000 0.594 61 A N 4.979 127.801 122.820 0.003 0.000 2.597 61 A HA 0.655 4.975 4.320 -0.000 0.000 0.292 61 A C -1.379 176.214 177.584 0.016 0.000 1.057 61 A CA -0.690 51.370 52.037 0.038 0.000 0.674 61 A CB 0.096 19.140 19.000 0.074 0.000 1.278 61 A HN 0.919 nan 8.150 nan 0.000 0.416 62 W N 0.747 122.041 121.300 -0.011 0.000 2.049 62 W HA 0.411 5.071 4.660 -0.000 0.000 0.356 62 W C 0.642 177.190 176.519 0.049 0.000 1.323 62 W CA 0.922 58.285 57.345 0.029 0.000 1.336 62 W CB 0.402 29.861 29.460 -0.001 0.000 1.176 62 W HN 0.722 nan 8.180 nan 0.000 0.623 63 D N 1.499 122.132 120.400 0.388 0.000 2.450 63 D HA 0.015 4.655 4.640 -0.000 0.000 0.247 63 D C -1.457 174.985 176.300 0.237 0.000 1.162 63 D CA -1.433 52.738 54.000 0.285 0.000 0.879 63 D CB 1.219 42.231 40.800 0.353 0.000 1.163 63 D HN -0.076 nan 8.370 nan 0.000 0.472 64 P HA -0.154 nan 4.420 nan 0.000 0.217 64 P C 0.776 178.142 177.300 0.110 0.000 1.151 64 P CA 1.925 65.098 63.100 0.122 0.000 0.849 64 P CB 0.089 31.844 31.700 0.093 0.000 0.787 65 A N -1.584 121.310 122.820 0.125 0.000 2.209 65 A HA -0.013 4.307 4.320 -0.000 0.000 0.212 65 A C 0.900 178.541 177.584 0.096 0.000 1.158 65 A CA 0.794 52.893 52.037 0.103 0.000 0.742 65 A CB -1.384 17.682 19.000 0.111 0.000 0.790 65 A HN 0.156 nan 8.150 nan 0.000 0.472 66 T N 1.814 116.438 114.554 0.117 0.000 2.888 66 T HA 0.065 4.415 4.350 -0.000 0.000 0.301 66 T C 0.290 174.985 174.700 -0.008 0.000 1.001 66 T CA -0.341 61.807 62.100 0.081 0.000 1.147 66 T CB 0.299 69.240 68.868 0.122 0.000 0.931 66 T HN 0.402 nan 8.240 nan 0.000 0.541 67 N N 2.471 121.156 118.700 -0.025 0.000 2.402 67 N HA -0.005 4.735 4.740 -0.000 0.000 0.252 67 N C 0.691 176.119 175.510 -0.138 0.000 1.118 67 N CA -0.137 52.881 53.050 -0.053 0.000 0.945 67 N CB 1.062 39.535 38.487 -0.023 0.000 1.147 67 N HN 0.606 nan 8.380 nan 0.000 0.495 68 D N 3.754 124.057 120.400 -0.162 0.000 2.123 68 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 68 D C 1.671 177.848 176.300 -0.204 0.000 0.992 68 D CA 1.721 55.578 54.000 -0.238 0.000 0.833 68 D CB 0.246 40.947 40.800 -0.165 0.000 0.954 68 D HN 0.666 nan 8.370 nan 0.000 0.455 69 A N 0.235 122.972 122.820 -0.138 0.000 1.933 69 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 69 A C 2.107 179.616 177.584 -0.125 0.000 1.175 69 A CA 1.189 53.153 52.037 -0.121 0.000 0.628 69 A CB -0.332 18.618 19.000 -0.084 0.000 0.814 69 A HN 0.055 nan 8.150 nan 0.000 0.444 70 K N -0.098 120.235 120.400 -0.112 0.000 2.025 70 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 70 K C 2.357 178.857 176.600 -0.167 0.000 1.049 70 K CA 1.309 57.540 56.287 -0.093 0.000 0.933 70 K CB -0.876 31.606 32.500 -0.029 0.000 0.714 70 K HN 0.422 nan 8.250 nan 0.000 0.438 71 A N 1.919 124.594 122.820 -0.242 0.000 1.865 71 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 71 A C 2.254 179.645 177.584 -0.321 0.000 1.191 71 A CA 1.743 53.552 52.037 -0.381 0.000 0.623 71 A CB -0.534 17.884 19.000 -0.970 0.000 0.826 71 A HN 0.292 nan 8.150 nan 0.000 0.444 72 R N -0.787 119.560 120.500 -0.255 0.000 2.105 72 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 72 R C 1.993 178.179 176.300 -0.190 0.000 1.135 72 R CA 1.631 57.637 56.100 -0.158 0.000 0.967 72 R CB -0.473 29.728 30.300 -0.165 0.000 0.861 72 R HN 0.722 nan 8.270 nan 0.000 0.442 73 D N 0.125 120.412 120.400 -0.189 0.000 2.144 73 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 73 D C 1.722 177.870 176.300 -0.254 0.000 0.978 73 D CA 0.789 54.679 54.000 -0.182 0.000 0.833 73 D CB 0.254 40.972 40.800 -0.137 0.000 0.961 73 D HN -0.050 nan 8.370 nan 0.000 0.470 74 V N -0.098 119.617 119.914 -0.331 0.000 2.270 74 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 74 V C 2.647 178.566 176.094 -0.292 0.000 1.043 74 V CA 1.346 63.394 62.300 -0.421 0.000 1.014 74 V CB -0.542 31.079 31.823 -0.335 0.000 0.645 74 V HN 0.154 nan 8.190 nan 0.000 0.447 75 V N 0.934 120.668 119.914 -0.300 0.000 2.332 75 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 75 V C 2.361 178.294 176.094 -0.268 0.000 1.055 75 V CA 2.249 64.336 62.300 -0.354 0.000 1.038 75 V CB -0.963 30.578 31.823 -0.471 0.000 0.651 75 V HN 0.575 nan 8.190 nan 0.000 0.450 76 N N 0.246 118.809 118.700 -0.229 0.000 2.223 76 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 76 N C 1.947 177.373 175.510 -0.140 0.000 1.016 76 N CA 1.305 54.250 53.050 -0.176 0.000 0.863 76 N CB -0.373 38.022 38.487 -0.153 0.000 0.983 76 N HN 0.511 nan 8.380 nan 0.000 0.429 77 R N 0.372 120.783 120.500 -0.148 0.000 2.092 77 R HA 0.056 4.396 4.340 -0.000 0.000 0.231 77 R C 2.232 178.473 176.300 -0.099 0.000 1.119 77 R CA 0.675 56.710 56.100 -0.108 0.000 0.970 77 R CB -0.279 29.953 30.300 -0.113 0.000 0.864 77 R HN 0.202 nan 8.270 nan 0.000 0.440 78 L N 0.108 121.252 121.223 -0.132 0.000 2.027 78 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 78 L C 2.618 179.463 176.870 -0.043 0.000 1.074 78 L CA 1.718 56.503 54.840 -0.091 0.000 0.745 78 L CB -0.769 41.245 42.059 -0.075 0.000 0.898 78 L HN 0.361 nan 8.230 nan 0.000 0.433 79 T N -2.727 111.786 114.554 -0.068 0.000 2.962 79 T HA -0.068 4.282 4.350 -0.000 0.000 0.270 79 T C 1.837 176.507 174.700 -0.050 0.000 1.088 79 T CA 0.793 62.864 62.100 -0.048 0.000 1.127 79 T CB -0.299 68.520 68.868 -0.081 0.000 0.883 79 T HN 0.302 nan 8.240 nan 0.000 0.493 80 A N 1.575 124.358 122.820 -0.061 0.000 2.067 80 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 80 A C 2.313 179.855 177.584 -0.071 0.000 1.158 80 A CA 0.819 52.815 52.037 -0.069 0.000 0.661 80 A CB -0.830 18.134 19.000 -0.060 0.000 0.801 80 A HN 0.575 nan 8.150 nan 0.000 0.452 81 L N -0.925 120.294 121.223 -0.007 0.000 2.265 81 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 81 L C 2.232 179.118 176.870 0.027 0.000 1.117 81 L CA 1.205 56.094 54.840 0.082 0.000 0.782 81 L CB -0.410 41.719 42.059 0.117 0.000 0.914 81 L HN 0.339 nan 8.230 nan 0.000 0.441 82 K N 0.370 120.759 120.400 -0.019 0.000 2.281 82 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 82 K C 2.161 178.715 176.600 -0.075 0.000 1.046 82 K CA 1.065 57.338 56.287 -0.024 0.000 0.938 82 K CB -0.199 32.288 32.500 -0.023 0.000 0.737 82 K HN 0.313 nan 8.250 nan 0.000 0.458 83 A N 0.848 123.558 122.820 -0.184 0.000 2.070 83 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 83 A C 1.344 178.761 177.584 -0.277 0.000 1.159 83 A CA 1.260 53.140 52.037 -0.262 0.000 0.656 83 A CB -0.428 18.345 19.000 -0.379 0.000 0.800 83 A HN 0.302 nan 8.150 nan 0.000 0.453 84 H N -1.773 117.300 119.070 0.005 0.000 2.563 84 H HA 0.115 4.671 4.556 -0.000 0.000 0.264 84 H C -0.182 175.154 175.328 0.014 0.000 0.957 84 H CA 0.762 56.816 56.048 0.011 0.000 1.173 84 H CB 0.264 30.037 29.762 0.017 0.000 1.420 84 H HN 0.525 nan 8.280 nan 0.000 0.551 85 N N 0.697 119.454 118.700 0.095 0.000 2.699 85 N HA 0.056 4.796 4.740 -0.000 0.000 0.271 85 N C -2.323 173.201 175.510 0.023 0.000 1.216 85 N CA -1.395 51.693 53.050 0.065 0.000 0.844 85 N CB 1.586 40.121 38.487 0.080 0.000 1.462 85 N HN -0.152 nan 8.380 nan 0.000 0.555 86 P HA -0.019 nan 4.420 nan 0.000 0.228 86 P C 0.309 177.600 177.300 -0.015 0.000 1.151 86 P CA 0.774 63.870 63.100 -0.006 0.000 0.770 86 P CB 0.457 32.154 31.700 -0.005 0.000 0.786 87 S N -0.898 114.796 115.700 -0.011 0.000 2.535 87 S HA 0.100 4.570 4.470 -0.000 0.000 0.214 87 S C 0.761 175.319 174.600 -0.069 0.000 0.980 87 S CA -0.455 57.726 58.200 -0.032 0.000 0.907 87 S CB -0.426 62.766 63.200 -0.014 0.000 0.790 87 S HN 0.073 nan 8.310 nan 0.000 0.510 88 L N 3.372 124.570 121.223 -0.041 0.000 2.490 88 L HA 0.214 4.554 4.340 -0.000 0.000 0.274 88 L C 0.075 176.904 176.870 -0.069 0.000 1.201 88 L CA 0.670 55.478 54.840 -0.052 0.000 0.869 88 L CB 0.153 42.218 42.059 0.011 0.000 1.123 88 L HN 0.032 nan 8.230 nan 0.000 0.484 89 R N 5.611 126.038 120.500 -0.121 0.000 2.534 89 R HA 0.521 4.861 4.340 -0.000 0.000 0.301 89 R C -1.179 175.168 176.300 0.079 0.000 0.961 89 R CA -0.968 55.110 56.100 -0.037 0.000 0.871 89 R CB 1.645 31.877 30.300 -0.113 0.000 1.170 89 R HN 0.461 nan 8.270 nan 0.000 0.446 90 I N 4.784 125.456 120.570 0.170 0.000 2.307 90 I HA 0.236 4.406 4.170 -0.000 0.000 0.287 90 I C 0.308 176.652 176.117 0.378 0.000 1.054 90 I CA -0.364 61.095 61.300 0.266 0.000 1.218 90 I CB 0.597 38.776 38.000 0.298 0.000 1.398 90 I HN 0.495 nan 8.210 nan 0.000 0.475 91 M N 6.286 126.030 119.600 0.240 0.000 2.267 91 M HA 0.440 4.920 4.480 -0.000 0.000 0.303 91 M C -0.247 176.030 176.300 -0.038 0.000 1.164 91 M CA -0.419 54.949 55.300 0.113 0.000 1.060 91 M CB 1.022 33.623 32.600 0.003 0.000 1.455 91 M HN 0.390 nan 8.290 nan 0.000 0.483 92 F N -1.211 118.469 119.950 -0.451 0.000 2.551 92 F HA 0.762 5.289 4.527 -0.000 0.000 0.316 92 F C -0.701 174.941 175.800 -0.263 0.000 1.089 92 F CA -0.913 56.698 58.000 -0.648 0.000 0.915 92 F CB 1.059 39.117 39.000 -1.570 0.000 1.186 92 F HN 0.405 nan 8.300 nan 0.000 0.456 93 S N 3.723 119.353 115.700 -0.116 0.000 2.475 93 S HA 0.697 5.167 4.470 -0.000 0.000 0.298 93 S C -0.515 174.254 174.600 0.283 0.000 1.119 93 S CA -0.644 57.576 58.200 0.034 0.000 1.085 93 S CB 1.265 64.617 63.200 0.253 0.000 1.028 93 S HN 0.581 nan 8.310 nan 0.000 0.489 94 I N 2.679 123.412 120.570 0.271 0.000 2.378 94 I HA 0.647 4.817 4.170 -0.000 0.000 0.291 94 I C 0.911 177.257 176.117 0.383 0.000 0.992 94 I CA -0.071 61.438 61.300 0.349 0.000 1.154 94 I CB 1.040 39.210 38.000 0.284 0.000 1.315 94 I HN 0.926 nan 8.210 nan 0.000 0.448 95 G N 4.336 113.343 108.800 0.344 0.000 2.785 95 G HA2 0.297 4.257 3.960 -0.000 0.000 0.218 95 G HA3 0.297 4.257 3.960 -0.000 0.000 0.218 95 G C 0.084 174.663 174.900 -0.534 0.000 1.251 95 G CA 0.052 45.179 45.100 0.045 0.000 1.129 95 G HN 1.597 nan 8.290 nan 0.000 0.573 96 G N -2.015 106.366 108.800 -0.698 0.000 2.663 96 G HA2 0.097 4.057 3.960 -0.000 0.000 0.686 96 G HA3 0.097 4.057 3.960 -0.000 0.000 0.686 96 G C 0.710 175.233 174.900 -0.629 0.000 1.288 96 G CA 0.485 44.947 45.100 -1.065 0.000 0.836 96 G HN 1.966 nan 8.290 nan 0.000 0.584 97 W N 0.346 121.249 121.300 -0.662 0.000 2.335 97 W HA -0.212 4.448 4.660 -0.000 0.000 0.311 97 W C 2.063 178.343 176.519 -0.398 0.000 1.213 97 W CA 2.731 59.774 57.345 -0.503 0.000 1.274 97 W CB -0.367 28.831 29.460 -0.437 0.000 1.148 97 W HN 0.711 nan 8.180 nan 0.000 0.498 98 Y N 0.492 120.554 120.300 -0.397 0.000 2.081 98 Y HA -0.348 4.202 4.550 -0.000 0.000 0.280 98 Y C 2.467 178.109 175.900 -0.431 0.000 1.163 98 Y CA 2.773 60.624 58.100 -0.416 0.000 1.135 98 Y CB -1.364 36.827 38.460 -0.447 0.000 0.970 98 Y HN -0.089 nan 8.280 nan 0.000 0.498 99 Y N -0.484 119.540 120.300 -0.459 0.000 2.220 99 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 99 Y C 2.865 178.421 175.900 -0.574 0.000 1.129 99 Y CA 1.384 59.202 58.100 -0.470 0.000 1.161 99 Y CB -0.909 37.425 38.460 -0.209 0.000 0.997 99 Y HN 0.301 nan 8.280 nan 0.000 0.522 100 S N -0.282 115.064 115.700 -0.591 0.000 2.539 100 S HA 0.080 4.550 4.470 -0.000 0.000 0.221 100 S C 0.359 174.582 174.600 -0.627 0.000 0.987 100 S CA -0.370 57.328 58.200 -0.837 0.000 0.929 100 S CB -1.191 61.237 63.200 -1.286 0.000 0.832 100 S HN 0.489 nan 8.310 nan 0.000 0.492 101 N N 1.738 119.907 118.700 -0.884 0.000 2.381 101 N HA 0.070 4.810 4.740 -0.000 0.000 0.241 101 N C 0.238 175.296 175.510 -0.754 0.000 1.279 101 N CA 0.070 52.471 53.050 -1.082 0.000 0.896 101 N CB 0.192 37.393 38.487 -2.143 0.000 1.118 101 N HN -0.166 nan 8.380 nan 0.000 0.438 102 D N 0.305 120.282 120.400 -0.704 0.000 2.170 102 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 102 D C 1.092 176.997 176.300 -0.658 0.000 1.004 102 D CA 1.527 55.002 54.000 -0.874 0.000 0.860 102 D CB -0.156 40.382 40.800 -0.435 0.000 0.931 102 D HN 0.560 nan 8.370 nan 0.000 0.448 103 L N -0.168 120.784 121.223 -0.452 0.000 2.741 103 L HA 0.316 4.656 4.340 -0.000 0.000 0.237 103 L C 1.250 177.932 176.870 -0.312 0.000 1.178 103 L CA -0.508 54.154 54.840 -0.297 0.000 0.973 103 L CB 0.246 42.191 42.059 -0.189 0.000 1.255 103 L HN -0.140 nan 8.230 nan 0.000 0.498 104 G N 0.093 108.642 108.800 -0.419 0.000 2.503 104 G HA2 0.303 4.263 3.960 -0.000 0.000 0.257 104 G HA3 0.303 4.263 3.960 -0.000 0.000 0.257 104 G C 1.234 175.950 174.900 -0.307 0.000 1.214 104 G CA -0.038 44.789 45.100 -0.454 0.000 0.839 104 G HN 0.022 nan 8.290 nan 0.000 0.559 105 V N -0.570 119.127 119.914 -0.362 0.000 2.453 105 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 105 V C 1.853 177.889 176.094 -0.096 0.000 1.068 105 V CA 2.393 64.578 62.300 -0.192 0.000 1.070 105 V CB -0.500 31.224 31.823 -0.165 0.000 0.664 105 V HN 0.451 nan 8.190 nan 0.000 0.461 106 S N -1.448 114.203 115.700 -0.081 0.000 2.578 106 S HA 0.188 4.658 4.470 -0.000 0.000 0.231 106 S C 1.475 176.069 174.600 -0.010 0.000 0.994 106 S CA 0.192 58.372 58.200 -0.034 0.000 0.956 106 S CB -0.551 62.650 63.200 0.001 0.000 0.870 106 S HN 0.818 nan 8.310 nan 0.000 0.494 107 H N 2.535 121.499 119.070 -0.176 0.000 2.325 107 H HA -0.234 4.322 4.556 -0.000 0.000 0.293 107 H C 2.189 177.425 175.328 -0.152 0.000 1.106 107 H CA 1.928 57.845 56.048 -0.218 0.000 1.247 107 H CB -0.144 29.481 29.762 -0.227 0.000 1.359 107 H HN 0.473 nan 8.280 nan 0.000 0.488 108 A N 0.871 123.578 122.820 -0.190 0.000 1.948 108 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 108 A C 2.262 179.669 177.584 -0.294 0.000 1.177 108 A CA 1.888 53.790 52.037 -0.226 0.000 0.636 108 A CB -0.810 18.127 19.000 -0.105 0.000 0.815 108 A HN 0.730 nan 8.150 nan 0.000 0.449 109 N N -1.768 116.759 118.700 -0.288 0.000 2.166 109 N HA -0.171 4.568 4.740 -0.000 0.000 0.186 109 N C 1.551 176.686 175.510 -0.625 0.000 1.019 109 N CA 1.564 54.378 53.050 -0.393 0.000 0.856 109 N CB -0.329 37.923 38.487 -0.391 0.000 0.993 109 N HN 0.622 nan 8.380 nan 0.000 0.426 110 Y N 1.048 120.873 120.300 -0.792 0.000 2.163 110 Y HA -0.110 4.440 4.550 -0.000 0.000 0.288 110 Y C 2.472 177.760 175.900 -1.021 0.000 1.136 110 Y CA 0.586 57.969 58.100 -1.196 0.000 1.147 110 Y CB -0.710 36.513 38.460 -2.062 0.000 0.987 110 Y HN -0.142 nan 8.280 nan 0.000 0.509 111 V N 0.616 120.141 119.914 -0.649 0.000 2.287 111 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 111 V C 1.920 177.918 176.094 -0.159 0.000 1.053 111 V CA 2.135 64.294 62.300 -0.235 0.000 1.027 111 V CB -0.598 31.105 31.823 -0.200 0.000 0.646 111 V HN 0.469 nan 8.190 nan 0.000 0.447 112 N N 0.529 119.094 118.700 -0.225 0.000 2.216 112 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 112 N C 1.923 177.329 175.510 -0.173 0.000 1.017 112 N CA 1.514 54.468 53.050 -0.160 0.000 0.861 112 N CB -0.516 37.880 38.487 -0.152 0.000 0.986 112 N HN 0.476 nan 8.380 nan 0.000 0.428 113 A N 0.882 123.523 122.820 -0.298 0.000 1.978 113 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 113 A C 2.118 179.586 177.584 -0.193 0.000 1.170 113 A CA 1.827 53.672 52.037 -0.321 0.000 0.636 113 A CB -0.573 18.024 19.000 -0.671 0.000 0.810 113 A HN 0.240 nan 8.150 nan 0.000 0.448 114 V N -4.209 115.631 119.914 -0.124 0.000 3.647 114 V HA 0.153 4.273 4.120 -0.000 0.000 0.279 114 V C 1.579 177.708 176.094 0.058 0.000 1.314 114 V CA 0.661 62.982 62.300 0.034 0.000 1.125 114 V CB -0.303 31.637 31.823 0.195 0.000 0.907 114 V HN 0.297 nan 8.190 nan 0.000 0.434 115 K N 2.073 122.484 120.400 0.018 0.000 2.032 115 K HA -0.056 4.264 4.320 -0.000 0.000 0.209 115 K C 1.179 177.797 176.600 0.030 0.000 1.048 115 K CA 2.020 58.322 56.287 0.025 0.000 0.927 115 K CB -0.182 32.317 32.500 -0.001 0.000 0.712 115 K HN 0.806 nan 8.250 nan 0.000 0.441 116 T N -3.849 110.720 114.554 0.025 0.000 2.887 116 T HA 0.293 4.643 4.350 -0.000 0.000 0.292 116 T C -2.511 172.209 174.700 0.034 0.000 1.087 116 T CA -1.893 60.223 62.100 0.027 0.000 1.009 116 T CB 2.132 71.010 68.868 0.018 0.000 1.203 116 T HN -0.283 nan 8.240 nan 0.000 0.518 117 P HA -0.032 nan 4.420 nan 0.000 0.217 117 P C 1.481 178.800 177.300 0.033 0.000 1.148 117 P CA 1.616 64.736 63.100 0.032 0.000 0.828 117 P CB -0.173 31.542 31.700 0.025 0.000 0.783 118 A N -0.267 122.569 122.820 0.027 0.000 1.898 118 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 118 A C 2.371 179.975 177.584 0.034 0.000 1.183 118 A CA 1.894 53.946 52.037 0.025 0.000 0.622 118 A CB -1.496 17.514 19.000 0.017 0.000 0.824 118 A HN 0.306 nan 8.150 nan 0.000 0.444 119 S N 0.212 115.930 115.700 0.030 0.000 2.368 119 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 119 S C 2.028 176.677 174.600 0.082 0.000 1.030 119 S CA 1.221 59.441 58.200 0.033 0.000 0.999 119 S CB -0.502 62.698 63.200 -0.001 0.000 0.844 119 S HN 0.588 nan 8.310 nan 0.000 0.459 120 R N 1.570 122.123 120.500 0.087 0.000 2.073 120 R HA 0.071 4.411 4.340 -0.000 0.000 0.234 120 R C 2.845 179.225 176.300 0.132 0.000 1.134 120 R CA 1.291 57.477 56.100 0.144 0.000 0.952 120 R CB -0.908 29.457 30.300 0.108 0.000 0.850 120 R HN 0.570 nan 8.270 nan 0.000 0.433 121 A N 1.697 124.561 122.820 0.074 0.000 1.883 121 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 121 A C 2.112 179.720 177.584 0.040 0.000 1.186 121 A CA 1.718 53.781 52.037 0.043 0.000 0.624 121 A CB -0.433 18.584 19.000 0.028 0.000 0.822 121 A HN 0.259 nan 8.150 nan 0.000 0.444 122 K N -1.660 118.774 120.400 0.058 0.000 2.026 122 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 122 K C 1.841 178.489 176.600 0.080 0.000 1.048 122 K CA 1.688 58.008 56.287 0.053 0.000 0.929 122 K CB -0.352 32.179 32.500 0.052 0.000 0.713 122 K HN 0.384 nan 8.250 nan 0.000 0.439 123 F N 1.455 121.388 119.950 -0.028 0.000 2.075 123 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 123 F C 2.050 177.842 175.800 -0.013 0.000 1.113 123 F CA 1.556 59.534 58.000 -0.037 0.000 1.218 123 F CB -0.907 38.061 39.000 -0.053 0.000 0.984 123 F HN 0.102 nan 8.300 nan 0.000 0.472 124 A N 0.332 123.012 122.820 -0.234 0.000 1.917 124 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 124 A C 2.186 179.626 177.584 -0.240 0.000 1.182 124 A CA 1.877 53.724 52.037 -0.317 0.000 0.633 124 A CB -0.934 18.006 19.000 -0.100 0.000 0.819 124 A HN 0.564 nan 8.150 nan 0.000 0.448 125 Q N 0.182 119.905 119.800 -0.128 0.000 2.096 125 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 125 Q C 2.589 178.533 176.000 -0.093 0.000 0.982 125 Q CA 2.052 57.805 55.803 -0.084 0.000 0.850 125 Q CB -0.645 28.069 28.738 -0.039 0.000 0.901 125 Q HN 0.873 nan 8.270 nan 0.000 0.422 126 S N -0.399 115.235 115.700 -0.111 0.000 2.382 126 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 126 S C 2.351 176.898 174.600 -0.088 0.000 1.027 126 S CA 1.213 59.369 58.200 -0.073 0.000 0.991 126 S CB -0.736 62.446 63.200 -0.031 0.000 0.823 126 S HN 0.340 nan 8.310 nan 0.000 0.469 127 C N 1.254 120.429 119.300 -0.209 0.000 2.432 127 C HA 0.026 4.486 4.460 -0.000 0.000 0.277 127 C C 2.828 177.850 174.990 0.054 0.000 1.249 127 C CA 0.741 59.718 59.018 -0.069 0.000 1.725 127 C CB -1.389 26.178 27.740 -0.287 0.000 2.028 127 C HN 0.539 nan 8.230 nan 0.000 0.477 128 V N 0.920 120.808 119.914 -0.044 0.000 2.427 128 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 128 V C 2.607 178.687 176.094 -0.023 0.000 1.051 128 V CA 2.069 64.346 62.300 -0.038 0.000 1.048 128 V CB -0.801 30.977 31.823 -0.075 0.000 0.666 128 V HN 0.516 nan 8.190 nan 0.000 0.456 129 R N 0.033 120.522 120.500 -0.019 0.000 2.073 129 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 129 R C 2.292 178.615 176.300 0.039 0.000 1.134 129 R CA 1.699 57.798 56.100 -0.001 0.000 0.952 129 R CB -0.182 30.120 30.300 0.003 0.000 0.850 129 R HN 0.333 nan 8.270 nan 0.000 0.433 130 I N 1.087 121.686 120.570 0.049 0.000 2.226 130 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 130 I C 2.534 178.702 176.117 0.085 0.000 1.100 130 I CA 1.384 62.731 61.300 0.079 0.000 1.374 130 I CB -0.941 36.949 38.000 -0.183 0.000 1.057 130 I HN 0.438 nan 8.210 nan 0.000 0.413 131 M N 0.507 120.141 119.600 0.057 0.000 2.065 131 M HA -0.264 4.216 4.480 -0.000 0.000 0.259 131 M C 2.266 178.639 176.300 0.121 0.000 1.069 131 M CA 1.918 57.353 55.300 0.225 0.000 1.110 131 M CB -0.149 32.596 32.600 0.241 0.000 1.328 131 M HN 0.003 nan 8.290 nan 0.000 0.405 132 K N 0.300 120.704 120.400 0.007 0.000 2.057 132 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 132 K C 1.698 178.266 176.600 -0.053 0.000 1.049 132 K CA 1.718 57.982 56.287 -0.039 0.000 0.931 132 K CB -0.966 31.497 32.500 -0.062 0.000 0.714 132 K HN 0.449 nan 8.250 nan 0.000 0.440 133 D N -0.306 120.060 120.400 -0.057 0.000 2.117 133 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 133 D C 1.472 177.534 176.300 -0.396 0.000 0.987 133 D CA 1.210 55.083 54.000 -0.212 0.000 0.829 133 D CB 0.026 40.696 40.800 -0.217 0.000 0.961 133 D HN 0.213 nan 8.370 nan 0.000 0.460 134 Y N -1.032 119.178 120.300 -0.150 0.000 2.482 134 Y HA 0.305 4.855 4.550 -0.000 0.000 0.270 134 Y C 1.809 177.429 175.900 -0.468 0.000 1.152 134 Y CA 0.516 58.427 58.100 -0.315 0.000 1.292 134 Y CB 0.660 38.918 38.460 -0.336 0.000 1.070 134 Y HN 0.095 nan 8.280 nan 0.000 0.528 135 G N -0.523 108.158 108.800 -0.199 0.000 2.132 135 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.228 135 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.228 135 G C -0.124 174.717 174.900 -0.098 0.000 1.000 135 G CA -0.513 44.494 45.100 -0.154 0.000 0.693 135 G HN 0.120 nan 8.290 nan 0.000 0.515 136 F N 0.608 120.627 119.950 0.114 0.000 2.403 136 F HA 0.429 4.956 4.527 -0.000 0.000 0.320 136 F C 1.388 177.320 175.800 0.220 0.000 1.176 136 F CA -0.313 57.798 58.000 0.186 0.000 1.206 136 F CB 0.620 39.815 39.000 0.325 0.000 1.235 136 F HN -0.014 nan 8.300 nan 0.000 0.565 137 D N 0.244 120.932 120.400 0.479 0.000 2.369 137 D HA 0.281 4.920 4.640 -0.000 0.000 0.211 137 D C 0.641 177.196 176.300 0.426 0.000 1.077 137 D CA 0.444 54.703 54.000 0.433 0.000 0.842 137 D CB 0.730 41.696 40.800 0.276 0.000 0.947 137 D HN 0.616 nan 8.370 nan 0.000 0.509 138 G N -0.343 108.655 108.800 0.330 0.000 2.356 138 G HA2 0.348 4.308 3.960 -0.000 0.000 0.294 138 G HA3 0.348 4.308 3.960 -0.000 0.000 0.294 138 G C -1.765 173.116 174.900 -0.032 0.000 1.423 138 G CA -0.593 44.617 45.100 0.183 0.000 0.806 138 G HN -0.073 nan 8.290 nan 0.000 0.527 139 V N 0.612 120.416 119.914 -0.182 0.000 2.459 139 V HA 0.627 4.747 4.120 -0.000 0.000 0.295 139 V C -0.800 175.076 176.094 -0.364 0.000 1.029 139 V CA -0.400 61.578 62.300 -0.536 0.000 0.874 139 V CB 1.650 33.268 31.823 -0.341 0.000 0.985 139 V HN 0.874 nan 8.190 nan 0.000 0.438 140 D N 3.980 124.108 120.400 -0.453 0.000 2.502 140 D HA 0.581 5.221 4.640 -0.000 0.000 0.249 140 D C -0.921 175.341 176.300 -0.063 0.000 1.092 140 D CA -0.311 53.587 54.000 -0.170 0.000 0.839 140 D CB 1.432 42.159 40.800 -0.123 0.000 1.264 140 D HN 0.447 nan 8.370 nan 0.000 0.511 141 I N 2.918 123.534 120.570 0.076 0.000 2.378 141 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 141 I C -0.663 175.609 176.117 0.258 0.000 0.992 141 I CA -0.750 60.678 61.300 0.213 0.000 1.154 141 I CB 1.810 39.994 38.000 0.308 0.000 1.315 141 I HN 0.313 nan 8.210 nan 0.000 0.448 142 D N 6.049 126.601 120.400 0.253 0.000 2.863 142 D HA 0.086 4.726 4.640 -0.000 0.000 0.323 142 D C -0.811 175.483 176.300 -0.010 0.000 1.286 142 D CA -0.212 53.873 54.000 0.142 0.000 0.921 142 D CB 0.408 41.321 40.800 0.188 0.000 1.024 142 D HN 0.330 nan 8.370 nan 0.000 0.505 143 W N 2.221 123.390 121.300 -0.219 0.000 2.358 143 W HA 0.267 4.927 4.660 -0.000 0.000 0.307 143 W C -0.352 175.733 176.519 -0.724 0.000 1.203 143 W CA -0.928 56.128 57.345 -0.483 0.000 1.279 143 W CB 0.376 29.641 29.460 -0.325 0.000 1.264 143 W HN 0.063 nan 8.180 nan 0.000 0.474 144 E N 6.900 126.773 120.200 -0.545 0.000 2.267 144 E HA 0.237 4.587 4.350 -0.000 0.000 0.241 144 E C -1.461 174.695 176.600 -0.740 0.000 0.950 144 E CA -0.309 55.189 56.400 -1.504 0.000 0.776 144 E CB 0.719 29.626 29.700 -1.322 0.000 1.207 144 E HN 0.331 nan 8.360 nan 0.000 0.436 145 Y N 0.523 120.661 120.300 -0.269 0.000 2.609 145 Y HA 0.295 4.845 4.550 -0.000 0.000 0.336 145 Y C -2.383 172.942 175.900 -0.958 0.000 1.129 145 Y CA -2.677 55.081 58.100 -0.570 0.000 1.040 145 Y CB 1.642 39.958 38.460 -0.240 0.000 1.310 145 Y HN 0.248 nan 8.280 nan 0.000 0.460 146 P HA 0.060 nan 4.420 nan 0.000 0.268 146 P C -1.167 175.834 177.300 -0.499 0.000 1.205 146 P CA 0.034 62.189 63.100 -1.575 0.000 0.771 146 P CB 1.074 31.573 31.700 -2.001 0.000 0.858 147 Q N 0.978 120.643 119.800 -0.225 0.000 2.199 147 Q HA 0.421 4.761 4.340 -0.000 0.000 0.232 147 Q C 1.679 177.652 176.000 -0.045 0.000 0.969 147 Q CA -0.703 55.068 55.803 -0.054 0.000 0.925 147 Q CB 0.876 29.631 28.738 0.029 0.000 1.198 147 Q HN 0.442 nan 8.270 nan 0.000 0.494 148 A N 1.117 123.930 122.820 -0.012 0.000 1.909 148 A HA -0.331 3.989 4.320 -0.000 0.000 0.221 148 A C 2.006 179.595 177.584 0.009 0.000 1.223 148 A CA 2.654 54.690 52.037 -0.002 0.000 0.658 148 A CB -1.292 17.704 19.000 -0.006 0.000 0.831 148 A HN 0.841 nan 8.150 nan 0.000 0.462 149 A N -0.998 121.832 122.820 0.017 0.000 2.067 149 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 149 A C 1.788 179.397 177.584 0.041 0.000 1.158 149 A CA 1.565 53.620 52.037 0.030 0.000 0.661 149 A CB -0.386 18.635 19.000 0.035 0.000 0.801 149 A HN 0.681 nan 8.150 nan 0.000 0.452 150 E N -0.586 119.633 120.200 0.031 0.000 2.442 150 E HA 0.038 4.388 4.350 -0.000 0.000 0.195 150 E C 1.651 178.269 176.600 0.031 0.000 1.030 150 E CA 0.383 56.816 56.400 0.054 0.000 0.869 150 E CB 0.047 29.789 29.700 0.069 0.000 0.857 150 E HN 0.359 nan 8.360 nan 0.000 0.505 151 V N 2.034 121.947 119.914 -0.001 0.000 2.287 151 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 151 V C 1.626 177.800 176.094 0.134 0.000 1.053 151 V CA 2.077 64.407 62.300 0.052 0.000 1.027 151 V CB -0.384 31.473 31.823 0.057 0.000 0.646 151 V HN 0.263 nan 8.190 nan 0.000 0.447 152 D N 0.534 120.991 120.400 0.095 0.000 2.149 152 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 152 D C 2.184 178.548 176.300 0.107 0.000 0.990 152 D CA 1.646 55.699 54.000 0.088 0.000 0.839 152 D CB -0.559 40.279 40.800 0.063 0.000 0.948 152 D HN 0.499 nan 8.370 nan 0.000 0.460 153 G N 0.082 108.960 108.800 0.131 0.000 2.402 153 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 153 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 153 G C 1.476 176.504 174.900 0.213 0.000 1.162 153 G CA 0.248 45.437 45.100 0.148 0.000 0.777 153 G HN 0.222 nan 8.290 nan 0.000 0.539 154 F N 1.541 121.537 119.950 0.077 0.000 2.095 154 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 154 F C 2.464 178.299 175.800 0.058 0.000 1.104 154 F CA 1.192 59.245 58.000 0.088 0.000 1.232 154 F CB -0.326 38.648 39.000 -0.043 0.000 0.987 154 F HN 0.105 nan 8.300 nan 0.000 0.475 155 I N 0.262 120.867 120.570 0.058 0.000 2.127 155 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 155 I C 2.696 178.778 176.117 -0.059 0.000 1.075 155 I CA 1.441 62.699 61.300 -0.071 0.000 1.334 155 I CB -0.980 37.032 38.000 0.019 0.000 1.040 155 I HN 0.243 nan 8.210 nan 0.000 0.405 156 A N 0.542 123.370 122.820 0.012 0.000 1.978 156 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 156 A C 2.495 180.091 177.584 0.020 0.000 1.170 156 A CA 1.933 53.982 52.037 0.020 0.000 0.636 156 A CB -0.794 18.232 19.000 0.044 0.000 0.810 156 A HN 0.470 nan 8.150 nan 0.000 0.448 157 A N -0.272 122.572 122.820 0.040 0.000 1.898 157 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 157 A C 2.142 179.732 177.584 0.010 0.000 1.181 157 A CA 1.354 53.444 52.037 0.089 0.000 0.620 157 A CB -0.553 18.575 19.000 0.212 0.000 0.819 157 A HN 0.466 nan 8.150 nan 0.000 0.442 158 L N -0.872 120.280 121.223 -0.118 0.000 2.046 158 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 158 L C 2.869 179.685 176.870 -0.089 0.000 1.077 158 L CA 1.620 56.365 54.840 -0.158 0.000 0.747 158 L CB -0.630 41.245 42.059 -0.306 0.000 0.896 158 L HN 0.479 nan 8.230 nan 0.000 0.432 159 Q N -0.474 119.285 119.800 -0.068 0.000 2.124 159 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 159 Q C 2.135 178.121 176.000 -0.024 0.000 0.977 159 Q CA 1.517 57.297 55.803 -0.039 0.000 0.850 159 Q CB -0.029 28.694 28.738 -0.024 0.000 0.901 159 Q HN 0.293 nan 8.270 nan 0.000 0.429 160 E N 0.958 121.150 120.200 -0.014 0.000 2.072 160 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 160 E C 1.643 178.227 176.600 -0.026 0.000 0.985 160 E CA 1.051 57.447 56.400 -0.008 0.000 0.801 160 E CB -0.142 29.564 29.700 0.011 0.000 0.750 160 E HN 0.331 nan 8.360 nan 0.000 0.452 161 I N 0.258 120.803 120.570 -0.041 0.000 2.226 161 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 161 I C 2.479 178.571 176.117 -0.041 0.000 1.100 161 I CA 1.169 62.430 61.300 -0.064 0.000 1.374 161 I CB -0.255 37.692 38.000 -0.089 0.000 1.057 161 I HN 0.075 nan 8.210 nan 0.000 0.413 162 R N 1.113 121.593 120.500 -0.034 0.000 2.073 162 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 162 R C 2.126 178.423 176.300 -0.004 0.000 1.134 162 R CA 2.367 58.456 56.100 -0.018 0.000 0.952 162 R CB -1.233 29.052 30.300 -0.025 0.000 0.850 162 R HN 0.201 nan 8.270 nan 0.000 0.433 163 T N 1.385 115.934 114.554 -0.008 0.000 2.684 163 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 163 T C 1.743 176.445 174.700 0.005 0.000 1.036 163 T CA 1.728 63.828 62.100 -0.000 0.000 1.148 163 T CB -0.224 68.643 68.868 -0.002 0.000 0.863 163 T HN 0.161 nan 8.240 nan 0.000 0.436 164 L N 0.285 121.504 121.223 -0.005 0.000 2.093 164 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 164 L C 2.511 179.386 176.870 0.009 0.000 1.085 164 L CA 1.023 55.859 54.840 -0.007 0.000 0.755 164 L CB -0.588 41.454 42.059 -0.029 0.000 0.904 164 L HN 0.259 nan 8.230 nan 0.000 0.435 165 L N -0.374 120.858 121.223 0.015 0.000 2.056 165 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 165 L C 2.308 179.256 176.870 0.131 0.000 1.078 165 L CA 1.006 55.885 54.840 0.064 0.000 0.749 165 L CB -0.574 41.527 42.059 0.071 0.000 0.901 165 L HN 0.335 nan 8.230 nan 0.000 0.433 166 N N -0.053 118.693 118.700 0.078 0.000 2.166 166 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 166 N C 1.873 177.426 175.510 0.071 0.000 1.019 166 N CA 1.115 54.207 53.050 0.069 0.000 0.856 166 N CB -0.155 38.353 38.487 0.034 0.000 0.993 166 N HN 0.372 nan 8.380 nan 0.000 0.426 167 Q N -0.099 119.735 119.800 0.057 0.000 2.084 167 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 167 Q C 1.889 177.938 176.000 0.081 0.000 0.978 167 Q CA 1.178 57.011 55.803 0.051 0.000 0.844 167 Q CB -0.068 28.689 28.738 0.031 0.000 0.898 167 Q HN 0.276 nan 8.270 nan 0.000 0.426 168 Q N -0.062 119.806 119.800 0.113 0.000 2.119 168 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 168 Q C 1.840 178.033 176.000 0.321 0.000 0.972 168 Q CA 1.737 57.644 55.803 0.173 0.000 0.847 168 Q CB -0.197 28.588 28.738 0.079 0.000 0.903 168 Q HN 0.258 nan 8.270 nan 0.000 0.433 169 T N 0.738 115.485 114.554 0.323 0.000 2.720 169 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 169 T C 1.457 176.181 174.700 0.039 0.000 1.037 169 T CA 1.244 63.410 62.100 0.109 0.000 1.144 169 T CB -0.113 68.770 68.868 0.025 0.000 0.864 169 T HN 0.196 nan 8.240 nan 0.000 0.444 170 I N 1.505 122.107 120.570 0.054 0.000 2.202 170 I HA -0.082 4.088 4.170 -0.000 0.000 0.242 170 I C 2.626 178.764 176.117 0.034 0.000 1.091 170 I CA 1.412 62.729 61.300 0.027 0.000 1.368 170 I CB -1.863 36.152 38.000 0.025 0.000 1.058 170 I HN 0.227 nan 8.210 nan 0.000 0.410 171 T N 0.881 115.469 114.554 0.056 0.000 2.881 171 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 171 T C 1.090 175.825 174.700 0.057 0.000 1.068 171 T CA 1.335 63.466 62.100 0.052 0.000 1.131 171 T CB -0.163 68.740 68.868 0.057 0.000 0.871 171 T HN 0.259 nan 8.240 nan 0.000 0.479 172 D N -0.063 120.387 120.400 0.084 0.000 2.363 172 D HA 0.274 4.914 4.640 -0.000 0.000 0.214 172 D C 1.378 177.684 176.300 0.011 0.000 1.093 172 D CA 0.229 54.273 54.000 0.074 0.000 0.837 172 D CB -0.090 40.815 40.800 0.174 0.000 0.948 172 D HN 0.384 nan 8.370 nan 0.000 0.507 173 G N 1.915 110.712 108.800 -0.005 0.000 2.273 173 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.280 173 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.280 173 G C 0.826 175.687 174.900 -0.065 0.000 1.047 173 G CA -0.162 44.921 45.100 -0.028 0.000 0.869 173 G HN 0.209 nan 8.290 nan 0.000 0.502 174 R N -0.659 119.772 120.500 -0.115 0.000 2.568 174 R HA 0.158 4.498 4.340 -0.000 0.000 0.288 174 R C 1.993 178.202 176.300 -0.153 0.000 1.077 174 R CA 0.167 56.151 56.100 -0.193 0.000 1.102 174 R CB 0.124 30.163 30.300 -0.435 0.000 1.278 174 R HN 0.554 nan 8.270 nan 0.000 0.560 175 Q N 0.477 120.223 119.800 -0.091 0.000 2.197 175 Q HA -0.141 4.199 4.340 -0.000 0.000 0.207 175 Q C 1.981 177.943 176.000 -0.063 0.000 0.984 175 Q CA 2.234 57.998 55.803 -0.065 0.000 0.869 175 Q CB -0.201 28.513 28.738 -0.041 0.000 0.906 175 Q HN 0.358 nan 8.270 nan 0.000 0.426 176 A N -0.754 122.027 122.820 -0.065 0.000 2.014 176 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 176 A C 0.835 178.383 177.584 -0.061 0.000 1.163 176 A CA 0.635 52.641 52.037 -0.053 0.000 0.652 176 A CB 0.263 19.236 19.000 -0.046 0.000 0.808 176 A HN 0.284 nan 8.150 nan 0.000 0.449 177 L N 0.067 121.233 121.223 -0.095 0.000 2.448 177 L HA 0.388 4.728 4.340 -0.000 0.000 0.257 177 L C -2.951 173.816 176.870 -0.171 0.000 1.504 177 L CA -1.846 52.933 54.840 -0.100 0.000 0.852 177 L CB 1.486 43.489 42.059 -0.094 0.000 1.051 177 L HN -0.129 nan 8.230 nan 0.000 0.518 178 P HA 0.036 nan 4.420 nan 0.000 0.268 178 P C -0.978 176.251 177.300 -0.118 0.000 1.208 178 P CA 0.259 63.261 63.100 -0.163 0.000 0.777 178 P CB 0.183 31.848 31.700 -0.058 0.000 0.875 179 Y N 0.714 121.036 120.300 0.037 0.000 2.480 179 Y HA 0.125 4.675 4.550 -0.000 0.000 0.338 179 Y C 1.382 177.310 175.900 0.046 0.000 1.220 179 Y CA 0.791 58.924 58.100 0.054 0.000 1.430 179 Y CB 0.110 38.603 38.460 0.055 0.000 1.311 179 Y HN 0.331 nan 8.280 nan 0.000 0.575 180 Q N 1.586 121.530 119.800 0.240 0.000 2.359 180 Q HA 0.675 5.015 4.340 -0.000 0.000 0.275 180 Q C -1.713 174.339 176.000 0.087 0.000 1.082 180 Q CA -1.384 54.505 55.803 0.144 0.000 0.849 180 Q CB 2.810 31.657 28.738 0.182 0.000 1.377 180 Q HN 0.510 nan 8.270 nan 0.000 0.452 181 L N 0.771 122.018 121.223 0.040 0.000 2.409 181 L HA 0.616 4.956 4.340 -0.000 0.000 0.272 181 L C -1.162 175.711 176.870 0.006 0.000 0.980 181 L CA 0.092 54.929 54.840 -0.005 0.000 0.826 181 L CB 2.115 44.158 42.059 -0.026 0.000 1.268 181 L HN 0.826 nan 8.230 nan 0.000 0.407 182 T N 2.835 117.393 114.554 0.007 0.000 2.841 182 T HA 0.832 5.182 4.350 -0.000 0.000 0.296 182 T C -0.422 174.310 174.700 0.054 0.000 1.166 182 T CA -0.617 61.512 62.100 0.048 0.000 1.007 182 T CB 1.586 70.494 68.868 0.067 0.000 1.253 182 T HN 0.848 nan 8.240 nan 0.000 0.511 183 I N -1.825 118.805 120.570 0.100 0.000 2.969 183 I HA 0.893 5.062 4.170 -0.000 0.000 0.307 183 I C -0.780 175.440 176.117 0.171 0.000 1.149 183 I CA -1.891 59.498 61.300 0.149 0.000 1.008 183 I CB 1.951 40.068 38.000 0.195 0.000 1.232 183 I HN 0.928 nan 8.210 nan 0.000 0.435 184 A N 2.806 125.745 122.820 0.198 0.000 2.252 184 A HA 0.775 5.095 4.320 -0.000 0.000 0.309 184 A C 0.177 177.883 177.584 0.203 0.000 1.285 184 A CA -0.088 52.072 52.037 0.205 0.000 0.900 184 A CB 0.090 19.220 19.000 0.216 0.000 1.157 184 A HN 1.079 nan 8.150 nan 0.000 0.536 185 G N 0.864 109.804 108.800 0.234 0.000 2.461 185 G HA2 0.620 4.580 3.960 -0.000 0.000 0.329 185 G HA3 0.620 4.580 3.960 -0.000 0.000 0.329 185 G C 0.277 175.406 174.900 0.381 0.000 1.170 185 G CA -0.074 45.235 45.100 0.349 0.000 0.935 185 G HN 1.373 nan 8.290 nan 0.000 0.492 186 A N -0.655 122.451 122.820 0.477 0.000 2.531 186 A HA 0.501 4.820 4.320 -0.000 0.000 0.236 186 A C 1.298 178.969 177.584 0.144 0.000 1.062 186 A CA 0.598 52.742 52.037 0.179 0.000 0.760 186 A CB 0.376 19.258 19.000 -0.198 0.000 0.995 186 A HN 1.488 nan 8.150 nan 0.000 0.501 187 G N 1.111 109.944 108.800 0.056 0.000 3.575 187 G HA2 0.486 4.446 3.960 -0.000 0.000 0.273 187 G HA3 0.486 4.446 3.960 -0.000 0.000 0.273 187 G C 0.354 175.268 174.900 0.023 0.000 1.053 187 G CA 0.557 45.672 45.100 0.024 0.000 0.803 187 G HN 1.286 nan 8.290 nan 0.000 0.528 188 G N -1.515 107.297 108.800 0.021 0.000 2.667 188 G HA2 0.547 4.507 3.960 -0.000 0.000 0.298 188 G HA3 0.547 4.507 3.960 -0.000 0.000 0.298 188 G C 0.695 175.534 174.900 -0.101 0.000 1.377 188 G CA 0.318 45.416 45.100 -0.003 0.000 0.964 188 G HN 0.323 nan 8.290 nan 0.000 0.493 189 A N 1.105 123.808 122.820 -0.196 0.000 1.940 189 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 189 A C 1.922 179.221 177.584 -0.475 0.000 1.176 189 A CA 1.687 53.472 52.037 -0.420 0.000 0.631 189 A CB -0.618 18.079 19.000 -0.504 0.000 0.814 189 A HN 0.643 nan 8.150 nan 0.000 0.446 190 F N -1.321 118.491 119.950 -0.230 0.000 2.046 190 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 190 F C 2.141 177.690 175.800 -0.419 0.000 1.123 190 F CA 1.686 59.480 58.000 -0.342 0.000 1.199 190 F CB -0.710 38.026 39.000 -0.440 0.000 0.972 190 F HN 0.215 nan 8.300 nan 0.000 0.474 191 F N -0.541 119.318 119.950 -0.151 0.000 2.206 191 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 191 F C 2.159 177.626 175.800 -0.554 0.000 1.090 191 F CA 0.606 58.356 58.000 -0.416 0.000 1.323 191 F CB -1.072 37.457 39.000 -0.785 0.000 1.028 191 F HN -0.099 nan 8.300 nan 0.000 0.492 192 L N 0.490 121.496 121.223 -0.362 0.000 2.079 192 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 192 L C 2.553 179.021 176.870 -0.670 0.000 1.081 192 L CA 2.087 56.563 54.840 -0.606 0.000 0.752 192 L CB -1.221 40.586 42.059 -0.420 0.000 0.896 192 L HN 0.202 nan 8.230 nan 0.000 0.433 193 S N -1.030 114.381 115.700 -0.482 0.000 2.465 193 S HA -0.229 4.241 4.470 -0.000 0.000 0.241 193 S C 2.029 176.458 174.600 -0.284 0.000 1.000 193 S CA 0.981 58.940 58.200 -0.401 0.000 0.964 193 S CB -0.694 62.293 63.200 -0.355 0.000 0.763 193 S HN 0.582 nan 8.310 nan 0.000 0.512 194 R N 0.231 120.569 120.500 -0.270 0.000 2.092 194 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 194 R C 1.647 177.921 176.300 -0.043 0.000 1.119 194 R CA 1.822 57.856 56.100 -0.110 0.000 0.970 194 R CB -0.327 29.978 30.300 0.008 0.000 0.864 194 R HN 0.908 nan 8.270 nan 0.000 0.440 195 Y N -5.147 115.110 120.300 -0.072 0.000 2.563 195 Y HA 0.233 4.783 4.550 -0.000 0.000 0.250 195 Y C 1.355 177.239 175.900 -0.027 0.000 1.126 195 Y CA -1.217 56.851 58.100 -0.055 0.000 1.231 195 Y CB -0.656 37.764 38.460 -0.065 0.000 1.288 195 Y HN -0.131 nan 8.280 nan 0.000 0.537 196 Y N 2.849 122.884 120.300 -0.442 0.000 2.139 196 Y HA -0.344 4.206 4.550 -0.000 0.000 0.282 196 Y C 2.697 178.488 175.900 -0.183 0.000 1.179 196 Y CA 2.465 60.345 58.100 -0.367 0.000 1.161 196 Y CB -0.508 37.675 38.460 -0.462 0.000 0.970 196 Y HN 0.373 nan 8.280 nan 0.000 0.511 197 S N -0.705 114.894 115.700 -0.168 0.000 2.419 197 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 197 S C 1.347 175.864 174.600 -0.138 0.000 1.019 197 S CA 1.465 59.543 58.200 -0.204 0.000 0.982 197 S CB -0.392 62.727 63.200 -0.134 0.000 0.789 197 S HN 0.557 nan 8.310 nan 0.000 0.490 198 K N 0.482 120.849 120.400 -0.056 0.000 2.593 198 K HA 0.426 4.746 4.320 -0.000 0.000 0.208 198 K C 0.914 177.532 176.600 0.030 0.000 1.051 198 K CA -0.220 56.069 56.287 0.003 0.000 1.111 198 K CB 0.141 32.672 32.500 0.052 0.000 0.849 198 K HN 0.248 nan 8.250 nan 0.000 0.479 199 L N 0.766 121.965 121.223 -0.040 0.000 2.043 199 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 199 L C 2.401 179.289 176.870 0.031 0.000 1.075 199 L CA 1.685 56.532 54.840 0.012 0.000 0.752 199 L CB -0.389 41.576 42.059 -0.156 0.000 0.891 199 L HN 0.382 nan 8.230 nan 0.000 0.432 200 A N -0.626 122.191 122.820 -0.005 0.000 1.883 200 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 200 A C 2.098 179.696 177.584 0.023 0.000 1.186 200 A CA 1.848 53.895 52.037 0.016 0.000 0.624 200 A CB -0.515 18.492 19.000 0.012 0.000 0.822 200 A HN 0.551 nan 8.150 nan 0.000 0.444 201 Q N -0.709 119.104 119.800 0.022 0.000 2.119 201 Q HA -0.043 4.297 4.340 -0.000 0.000 0.201 201 Q C 2.034 178.040 176.000 0.009 0.000 0.972 201 Q CA 1.330 57.143 55.803 0.017 0.000 0.847 201 Q CB -0.279 28.473 28.738 0.023 0.000 0.903 201 Q HN 0.745 nan 8.270 nan 0.000 0.433 202 I N -0.050 120.540 120.570 0.034 0.000 2.252 202 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 202 I C 2.007 178.126 176.117 0.003 0.000 1.102 202 I CA 0.880 62.190 61.300 0.016 0.000 1.385 202 I CB -0.069 37.991 38.000 0.101 0.000 1.064 202 I HN 0.034 nan 8.210 nan 0.000 0.414 203 V N 0.813 120.753 119.914 0.044 0.000 2.871 203 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 203 V C 2.606 178.705 176.094 0.009 0.000 1.082 203 V CA 1.304 63.630 62.300 0.044 0.000 1.105 203 V CB -0.634 31.240 31.823 0.085 0.000 0.713 203 V HN 0.429 nan 8.190 nan 0.000 0.473 204 A N 1.593 124.413 122.820 0.000 0.000 1.892 204 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 204 A C 0.689 178.258 177.584 -0.026 0.000 1.188 204 A CA 2.189 54.219 52.037 -0.011 0.000 0.631 204 A CB -1.767 17.228 19.000 -0.007 0.000 0.822 204 A HN 0.598 nan 8.150 nan 0.000 0.447 205 P HA 0.154 nan 4.420 nan 0.000 0.245 205 P C -0.027 177.243 177.300 -0.049 0.000 1.212 205 P CA 0.386 63.458 63.100 -0.046 0.000 0.774 205 P CB -0.095 31.570 31.700 -0.060 0.000 0.999 206 L N -0.160 121.035 121.223 -0.047 0.000 2.360 206 L HA 0.328 4.668 4.340 -0.000 0.000 0.271 206 L C 1.390 178.204 176.870 -0.094 0.000 1.057 206 L CA -0.663 54.149 54.840 -0.047 0.000 0.803 206 L CB 0.896 42.947 42.059 -0.013 0.000 1.207 206 L HN -0.275 nan 8.230 nan 0.000 0.445 207 D N 0.133 120.452 120.400 -0.135 0.000 2.183 207 D HA 0.011 4.651 4.640 -0.000 0.000 0.205 207 D C -0.577 175.356 176.300 -0.612 0.000 0.962 207 D CA 1.617 55.400 54.000 -0.362 0.000 0.849 207 D CB 0.452 41.059 40.800 -0.323 0.000 0.978 207 D HN 0.300 nan 8.370 nan 0.000 0.488 208 Y N -0.698 119.597 120.300 -0.008 0.000 2.581 208 Y HA 0.407 4.957 4.550 -0.000 0.000 0.337 208 Y C -0.727 175.178 175.900 0.009 0.000 1.108 208 Y CA -0.922 57.171 58.100 -0.011 0.000 1.033 208 Y CB 2.027 40.452 38.460 -0.059 0.000 1.318 208 Y HN -0.287 nan 8.280 nan 0.000 0.459 209 I N 3.341 124.036 120.570 0.208 0.000 2.382 209 I HA 0.450 4.620 4.170 -0.000 0.000 0.285 209 I C -1.297 174.897 176.117 0.129 0.000 1.007 209 I CA -0.629 60.767 61.300 0.160 0.000 1.142 209 I CB 0.497 38.600 38.000 0.171 0.000 1.289 209 I HN 0.586 nan 8.210 nan 0.000 0.453 210 N N 8.926 127.702 118.700 0.127 0.000 2.469 210 N HA 0.321 5.061 4.740 -0.000 0.000 0.239 210 N C -0.685 174.897 175.510 0.121 0.000 1.053 210 N CA -0.257 52.858 53.050 0.108 0.000 0.937 210 N CB 1.357 39.913 38.487 0.115 0.000 1.163 210 N HN 0.567 nan 8.380 nan 0.000 0.509 211 L N 1.854 123.118 121.223 0.069 0.000 2.410 211 L HA 0.236 4.576 4.340 -0.000 0.000 0.273 211 L C 1.086 177.973 176.870 0.027 0.000 1.152 211 L CA 0.089 54.951 54.840 0.036 0.000 0.855 211 L CB 0.340 42.366 42.059 -0.055 0.000 1.129 211 L HN 0.335 nan 8.230 nan 0.000 0.463 212 M N 3.299 122.861 119.600 -0.064 0.000 3.586 212 M HA 0.070 4.550 4.480 -0.000 0.000 0.225 212 M C 0.339 176.334 176.300 -0.509 0.000 1.428 212 M CA -0.193 54.847 55.300 -0.432 0.000 1.613 212 M CB -0.357 32.006 32.600 -0.395 0.000 1.063 212 M HN 0.561 nan 8.290 nan 0.000 0.593 213 T N -0.149 114.280 114.554 -0.208 0.000 4.309 213 T HA 0.284 4.633 4.350 -0.000 0.000 0.242 213 T C -0.505 174.254 174.700 0.098 0.000 1.142 213 T CA -0.236 61.841 62.100 -0.038 0.000 1.042 213 T CB -1.128 67.768 68.868 0.046 0.000 1.366 213 T HN 0.539 nan 8.240 nan 0.000 0.942 214 Y N -3.047 117.320 120.300 0.113 0.000 2.788 214 Y HA 0.543 5.093 4.550 -0.000 0.000 0.335 214 Y C -0.423 175.573 175.900 0.160 0.000 1.287 214 Y CA -1.750 56.420 58.100 0.117 0.000 1.068 214 Y CB 0.028 38.552 38.460 0.105 0.000 1.340 214 Y HN 0.099 nan 8.280 nan 0.000 0.449 215 D N 0.242 120.886 120.400 0.406 0.000 2.837 215 D HA -0.161 4.479 4.640 -0.000 0.000 0.230 215 D C 0.306 176.816 176.300 0.350 0.000 1.152 215 D CA 1.204 55.445 54.000 0.402 0.000 0.736 215 D CB -0.932 40.088 40.800 0.368 0.000 1.084 215 D HN 0.724 nan 8.370 nan 0.000 0.429 216 L N -1.495 119.869 121.223 0.236 0.000 2.591 216 L HA 0.322 4.662 4.340 -0.000 0.000 0.228 216 L C 1.109 178.073 176.870 0.156 0.000 1.133 216 L CA 0.584 55.517 54.840 0.155 0.000 0.880 216 L CB 0.009 42.111 42.059 0.071 0.000 1.033 216 L HN 0.198 nan 8.230 nan 0.000 0.450 217 A N -0.667 122.267 122.820 0.191 0.000 2.539 217 A HA 0.855 5.175 4.320 -0.000 0.000 0.296 217 A C -0.397 177.099 177.584 -0.146 0.000 1.073 217 A CA 0.010 52.106 52.037 0.098 0.000 0.700 217 A CB 1.736 20.835 19.000 0.165 0.000 1.296 217 A HN 0.089 nan 8.150 nan 0.000 0.405 218 G N -0.333 108.117 108.800 -0.583 0.000 2.495 218 G HA2 0.595 4.555 3.960 -0.000 0.000 0.294 218 G HA3 0.595 4.555 3.960 -0.000 0.000 0.294 218 G C -2.723 171.573 174.900 -1.007 0.000 1.397 218 G CA -0.098 44.188 45.100 -1.357 0.000 0.790 218 G HN 0.404 nan 8.290 nan 0.000 0.486 219 P HA -0.037 nan 4.420 nan 0.000 0.225 219 P C 1.283 178.630 177.300 0.079 0.000 1.148 219 P CA 1.262 64.220 63.100 -0.237 0.000 0.779 219 P CB -0.050 31.569 31.700 -0.135 0.000 0.780 220 W N 0.074 121.477 121.300 0.173 0.000 2.699 220 W HA 0.190 4.850 4.660 -0.000 0.000 0.249 220 W C 0.285 176.906 176.519 0.170 0.000 1.280 220 W CA -0.075 57.354 57.345 0.140 0.000 1.345 220 W CB -1.046 28.455 29.460 0.069 0.000 1.128 220 W HN -0.223 nan 8.180 nan 0.000 0.642 221 E N 1.029 121.211 120.200 -0.029 0.000 2.231 221 E HA 0.233 4.583 4.350 -0.000 0.000 0.277 221 E C 1.347 178.087 176.600 0.234 0.000 0.999 221 E CA 0.302 56.785 56.400 0.137 0.000 0.827 221 E CB 1.555 31.316 29.700 0.102 0.000 1.101 221 E HN 0.151 nan 8.360 nan 0.000 0.393 222 K N 2.060 122.537 120.400 0.129 0.000 2.097 222 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 222 K C 1.142 177.775 176.600 0.055 0.000 1.050 222 K CA 1.501 57.808 56.287 0.034 0.000 0.938 222 K CB -0.407 32.078 32.500 -0.026 0.000 0.718 222 K HN 0.316 nan 8.250 nan 0.000 0.442 223 V N 1.822 121.762 119.914 0.043 0.000 2.435 223 V HA 0.536 4.655 4.120 -0.000 0.000 0.290 223 V C 0.140 176.158 176.094 -0.126 0.000 1.030 223 V CA -0.120 62.165 62.300 -0.024 0.000 0.881 223 V CB 0.920 32.696 31.823 -0.078 0.000 0.983 223 V HN 0.594 nan 8.190 nan 0.000 0.445 224 T N 3.499 117.833 114.554 -0.367 0.000 2.932 224 T HA 0.356 4.706 4.350 -0.000 0.000 0.312 224 T C -0.092 174.223 174.700 -0.642 0.000 1.071 224 T CA 0.044 61.584 62.100 -0.934 0.000 1.128 224 T CB 0.569 68.595 68.868 -1.403 0.000 0.984 224 T HN 1.146 nan 8.240 nan 0.000 0.549 225 N N -0.705 117.683 118.700 -0.520 0.000 3.046 225 N HA 0.184 4.924 4.740 -0.000 0.000 0.243 225 N C -1.689 173.770 175.510 -0.085 0.000 1.452 225 N CA -0.736 52.188 53.050 -0.210 0.000 0.882 225 N CB 1.067 39.594 38.487 0.066 0.000 1.425 225 N HN 0.709 nan 8.380 nan 0.000 0.517 226 H N 1.231 120.392 119.070 0.151 0.000 2.803 226 H HA 0.072 4.628 4.556 -0.000 0.000 0.330 226 H C 0.413 175.816 175.328 0.125 0.000 1.057 226 H CA 0.389 56.511 56.048 0.124 0.000 1.458 226 H CB 1.128 30.910 29.762 0.033 0.000 1.470 226 H HN 0.569 nan 8.280 nan 0.000 0.560 227 Q N 1.867 121.795 119.800 0.214 0.000 2.432 227 Q HA 0.219 4.559 4.340 -0.000 0.000 0.205 227 Q C 0.389 176.499 176.000 0.184 0.000 0.945 227 Q CA 0.788 56.711 55.803 0.200 0.000 0.924 227 Q CB 0.770 29.632 28.738 0.207 0.000 1.016 227 Q HN 0.505 nan 8.270 nan 0.000 0.503 228 A N 0.424 123.336 122.820 0.154 0.000 3.165 228 A HA 0.668 4.988 4.320 -0.000 0.000 0.212 228 A C -0.137 177.467 177.584 0.033 0.000 0.935 228 A CA -0.253 51.855 52.037 0.119 0.000 1.100 228 A CB 0.124 19.221 19.000 0.162 0.000 1.260 228 A HN 0.359 nan 8.150 nan 0.000 0.532 229 A N 0.096 122.931 122.820 0.025 0.000 2.520 229 A HA 0.419 4.739 4.320 -0.000 0.000 0.245 229 A C 1.191 178.686 177.584 -0.148 0.000 1.072 229 A CA 0.177 52.164 52.037 -0.084 0.000 0.761 229 A CB 0.084 19.067 19.000 -0.028 0.000 1.004 229 A HN 1.363 nan 8.150 nan 0.000 0.499 230 L N 2.991 124.050 121.223 -0.272 0.000 2.044 230 L HA 0.217 4.557 4.340 -0.000 0.000 0.205 230 L C 0.100 176.575 176.870 -0.659 0.000 1.075 230 L CA 1.799 56.317 54.840 -0.537 0.000 0.747 230 L CB -0.525 41.136 42.059 -0.662 0.000 0.903 230 L HN 0.600 nan 8.230 nan 0.000 0.435 231 F N -1.236 118.663 119.950 -0.085 0.000 2.618 231 F HA 0.655 5.182 4.527 -0.000 0.000 0.332 231 F C 0.913 176.694 175.800 -0.031 0.000 1.061 231 F CA -0.935 57.047 58.000 -0.031 0.000 0.974 231 F CB 0.492 39.483 39.000 -0.017 0.000 1.310 231 F HN -0.119 nan 8.300 nan 0.000 0.491 232 G N -0.227 108.714 108.800 0.235 0.000 2.448 232 G HA2 0.420 4.380 3.960 -0.000 0.000 0.285 232 G HA3 0.420 4.380 3.960 -0.000 0.000 0.285 232 G C -1.710 173.225 174.900 0.057 0.000 1.176 232 G CA -0.203 44.965 45.100 0.114 0.000 0.852 232 G HN 0.511 nan 8.290 nan 0.000 0.530 233 D N 0.610 121.017 120.400 0.012 0.000 2.425 233 D HA 0.457 5.097 4.640 -0.000 0.000 0.240 233 D C 1.090 177.334 176.300 -0.093 0.000 1.080 233 D CA -0.204 53.783 54.000 -0.021 0.000 0.836 233 D CB 1.597 42.412 40.800 0.025 0.000 1.125 233 D HN 0.310 nan 8.370 nan 0.000 0.525 234 A N 3.480 126.254 122.820 -0.075 0.000 2.076 234 A HA -0.009 4.311 4.320 -0.000 0.000 0.220 234 A C 1.898 179.378 177.584 -0.173 0.000 1.160 234 A CA 1.762 53.739 52.037 -0.101 0.000 0.653 234 A CB -0.363 18.599 19.000 -0.062 0.000 0.801 234 A HN 0.618 nan 8.150 nan 0.000 0.455 235 A N -0.567 122.130 122.820 -0.205 0.000 2.167 235 A HA 0.430 4.750 4.320 -0.000 0.000 0.214 235 A C 1.437 178.587 177.584 -0.723 0.000 1.151 235 A CA 0.866 52.730 52.037 -0.289 0.000 0.735 235 A CB -0.698 18.237 19.000 -0.108 0.000 0.802 235 A HN 0.672 nan 8.150 nan 0.000 0.467 236 G N 0.078 108.333 108.800 -0.909 0.000 2.547 236 G HA2 0.488 4.448 3.960 -0.000 0.000 0.291 236 G HA3 0.488 4.448 3.960 -0.000 0.000 0.291 236 G C -2.388 172.151 174.900 -0.602 0.000 1.211 236 G CA -1.317 42.987 45.100 -1.327 0.000 0.950 236 G HN 0.184 nan 8.290 nan 0.000 0.504 237 P HA 0.231 nan 4.420 nan 0.000 0.272 237 P C -0.134 176.972 177.300 -0.322 0.000 1.240 237 P CA 0.048 62.930 63.100 -0.363 0.000 0.791 237 P CB 1.045 32.528 31.700 -0.362 0.000 0.978 238 T N -2.010 112.300 114.554 -0.406 0.000 2.916 238 T HA 0.750 5.100 4.350 -0.000 0.000 0.292 238 T C -0.750 173.671 174.700 -0.465 0.000 1.064 238 T CA -0.550 61.392 62.100 -0.263 0.000 1.011 238 T CB 0.989 69.776 68.868 -0.134 0.000 1.152 238 T HN 0.188 nan 8.240 nan 0.000 0.510 239 F N -0.400 119.463 119.950 -0.144 0.000 2.620 239 F HA 0.528 5.055 4.527 -0.000 0.000 0.320 239 F C -0.439 175.481 175.800 0.200 0.000 1.069 239 F CA -1.498 56.529 58.000 0.045 0.000 0.953 239 F CB 1.372 40.396 39.000 0.040 0.000 1.322 239 F HN 0.744 nan 8.300 nan 0.000 0.479 240 Y N 2.266 122.834 120.300 0.446 0.000 2.526 240 Y HA 0.105 4.654 4.550 -0.000 0.000 0.330 240 Y C 0.425 176.472 175.900 0.245 0.000 1.156 240 Y CA -0.221 58.069 58.100 0.318 0.000 1.419 240 Y CB 0.263 38.924 38.460 0.335 0.000 1.250 240 Y HN 0.457 nan 8.280 nan 0.000 0.540 241 N N 5.380 124.011 118.700 -0.115 0.000 2.555 241 N HA 0.120 4.860 4.740 -0.000 0.000 0.244 241 N C 0.568 175.882 175.510 -0.327 0.000 1.114 241 N CA 0.593 53.511 53.050 -0.220 0.000 0.963 241 N CB 0.694 38.968 38.487 -0.356 0.000 1.276 241 N HN 0.903 nan 8.380 nan 0.000 0.510 242 A N 4.200 126.872 122.820 -0.246 0.000 2.032 242 A HA -0.140 4.180 4.320 -0.000 0.000 0.221 242 A C 2.095 179.423 177.584 -0.426 0.000 1.165 242 A CA 0.971 52.911 52.037 -0.162 0.000 0.645 242 A CB -0.349 18.494 19.000 -0.262 0.000 0.807 242 A HN 0.733 nan 8.150 nan 0.000 0.453 243 L N -0.311 120.439 121.223 -0.789 0.000 2.191 243 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 243 L C 2.654 178.761 176.870 -1.272 0.000 1.103 243 L CA 1.598 55.683 54.840 -1.258 0.000 0.769 243 L CB -0.617 40.245 42.059 -1.994 0.000 0.908 243 L HN 0.617 nan 8.230 nan 0.000 0.438 244 R N -0.131 119.853 120.500 -0.860 0.000 2.328 244 R HA -0.097 4.243 4.340 -0.000 0.000 0.207 244 R C 0.954 177.135 176.300 -0.199 0.000 1.056 244 R CA 0.879 56.774 56.100 -0.342 0.000 1.016 244 R CB -0.159 30.063 30.300 -0.129 0.000 0.872 244 R HN 0.310 nan 8.270 nan 0.000 0.471 245 E N 0.715 120.783 120.200 -0.221 0.000 2.498 245 E HA 0.235 4.585 4.350 -0.000 0.000 0.203 245 E C 0.103 176.608 176.600 -0.158 0.000 1.013 245 E CA 0.163 56.498 56.400 -0.107 0.000 0.927 245 E CB 1.117 30.809 29.700 -0.012 0.000 1.012 245 E HN 0.419 nan 8.360 nan 0.000 0.482 246 A N 1.726 124.385 122.820 -0.267 0.000 2.366 246 A HA 0.157 4.477 4.320 -0.000 0.000 0.249 246 A C 0.532 178.008 177.584 -0.181 0.000 1.084 246 A CA -0.389 51.508 52.037 -0.233 0.000 0.794 246 A CB 0.155 18.988 19.000 -0.279 0.000 1.034 246 A HN 0.039 nan 8.150 nan 0.000 0.491 247 N N 2.057 120.676 118.700 -0.136 0.000 3.254 247 N HA 0.103 4.843 4.740 -0.000 0.000 0.308 247 N C 0.412 175.838 175.510 -0.139 0.000 1.281 247 N CA 0.181 53.170 53.050 -0.102 0.000 1.212 247 N CB 0.298 38.750 38.487 -0.058 0.000 1.478 247 N HN 0.587 nan 8.380 nan 0.000 0.548 248 L N -0.354 120.723 121.223 -0.242 0.000 2.249 248 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 248 L C 1.591 178.360 176.870 -0.167 0.000 1.090 248 L CA 0.435 55.023 54.840 -0.421 0.000 0.802 248 L CB -0.104 41.303 42.059 -1.087 0.000 0.947 248 L HN 0.450 nan 8.230 nan 0.000 0.453 249 G N -1.296 107.490 108.800 -0.025 0.000 2.143 249 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 249 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 249 G C -0.200 174.889 174.900 0.316 0.000 0.991 249 G CA -0.277 44.903 45.100 0.133 0.000 0.689 249 G HN 0.096 nan 8.290 nan 0.000 0.522 250 W N 1.181 122.529 121.300 0.080 0.000 2.213 250 W HA 0.706 5.366 4.660 -0.000 0.000 0.356 250 W C 1.215 177.789 176.519 0.092 0.000 1.273 250 W CA -0.768 56.622 57.345 0.075 0.000 1.391 250 W CB 0.414 29.916 29.460 0.070 0.000 1.187 250 W HN 0.534 nan 8.180 nan 0.000 0.649 251 S N -0.042 115.852 115.700 0.323 0.000 2.655 251 S HA 0.054 4.524 4.470 -0.000 0.000 0.265 251 S C 0.593 175.366 174.600 0.289 0.000 1.240 251 S CA -0.437 57.926 58.200 0.271 0.000 0.986 251 S CB 0.756 64.091 63.200 0.224 0.000 0.985 251 S HN 0.579 nan 8.310 nan 0.000 0.562 252 W N 1.120 122.505 121.300 0.142 0.000 2.335 252 W HA -0.075 4.585 4.660 -0.000 0.000 0.311 252 W C 2.192 178.775 176.519 0.107 0.000 1.213 252 W CA 1.848 59.267 57.345 0.122 0.000 1.274 252 W CB -0.226 29.292 29.460 0.097 0.000 1.148 252 W HN 0.788 nan 8.180 nan 0.000 0.498 253 E N 0.394 120.829 120.200 0.391 0.000 2.077 253 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 253 E C 1.863 178.452 176.600 -0.020 0.000 0.989 253 E CA 1.992 58.514 56.400 0.203 0.000 0.800 253 E CB -0.587 29.247 29.700 0.224 0.000 0.746 253 E HN 0.572 nan 8.360 nan 0.000 0.452 254 E N 0.545 120.751 120.200 0.011 0.000 2.072 254 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 254 E C 2.403 179.003 176.600 -0.000 0.000 0.985 254 E CA 0.664 57.018 56.400 -0.077 0.000 0.801 254 E CB -0.146 29.481 29.700 -0.123 0.000 0.750 254 E HN 0.168 nan 8.360 nan 0.000 0.452 255 L N 0.761 122.057 121.223 0.122 0.000 2.017 255 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 255 L C 2.632 179.430 176.870 -0.120 0.000 1.073 255 L CA 1.380 56.317 54.840 0.162 0.000 0.745 255 L CB -0.707 41.431 42.059 0.132 0.000 0.894 255 L HN 0.156 nan 8.230 nan 0.000 0.432 256 T N -0.153 114.169 114.554 -0.387 0.000 2.684 256 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 256 T C 1.845 176.353 174.700 -0.319 0.000 1.036 256 T CA 1.849 63.651 62.100 -0.497 0.000 1.148 256 T CB -0.307 67.982 68.868 -0.965 0.000 0.863 256 T HN 0.450 nan 8.240 nan 0.000 0.436 257 R N 1.399 121.735 120.500 -0.273 0.000 2.148 257 R HA 0.291 4.631 4.340 -0.000 0.000 0.223 257 R C 2.390 178.512 176.300 -0.298 0.000 1.088 257 R CA 1.107 57.066 56.100 -0.235 0.000 0.985 257 R CB -0.343 29.847 30.300 -0.183 0.000 0.880 257 R HN 0.329 nan 8.270 nan 0.000 0.451 258 A N 0.809 123.369 122.820 -0.434 0.000 1.975 258 A HA 0.163 4.483 4.320 -0.000 0.000 0.215 258 A C 0.163 177.333 177.584 -0.690 0.000 1.170 258 A CA 0.234 51.875 52.037 -0.660 0.000 0.656 258 A CB 0.114 18.511 19.000 -1.005 0.000 0.821 258 A HN 0.309 nan 8.150 nan 0.000 0.449 259 F N 1.053 120.947 119.950 -0.094 0.000 2.531 259 F HA 0.325 4.852 4.527 -0.000 0.000 0.333 259 F C -2.554 173.089 175.800 -0.261 0.000 1.292 259 F CA -3.744 54.146 58.000 -0.183 0.000 1.184 259 F CB 0.382 39.246 39.000 -0.226 0.000 1.426 259 F HN -0.020 nan 8.300 nan 0.000 0.559 260 P HA 0.060 nan 4.420 nan 0.000 0.266 260 P C -0.127 177.133 177.300 -0.067 0.000 1.195 260 P CA 0.336 63.349 63.100 -0.146 0.000 0.768 260 P CB 1.752 33.335 31.700 -0.194 0.000 0.838 261 S N 2.343 118.010 115.700 -0.055 0.000 2.572 261 S HA 0.561 5.031 4.470 -0.000 0.000 0.274 261 S C -2.534 172.058 174.600 -0.012 0.000 1.150 261 S CA -1.191 56.993 58.200 -0.026 0.000 0.944 261 S CB 0.758 63.827 63.200 -0.218 0.000 1.071 261 S HN 0.336 nan 8.310 nan 0.000 0.479 262 P HA 0.541 nan 4.420 nan 0.000 0.275 262 P C -0.949 176.493 177.300 0.237 0.000 1.266 262 P CA -0.286 62.893 63.100 0.131 0.000 0.793 262 P CB 0.275 32.013 31.700 0.063 0.000 1.074 263 F N -2.789 117.200 119.950 0.066 0.000 2.685 263 F HA 0.570 5.097 4.527 -0.000 0.000 0.315 263 F C -1.011 174.895 175.800 0.176 0.000 1.126 263 F CA -1.262 56.796 58.000 0.098 0.000 0.950 263 F CB 0.648 39.729 39.000 0.136 0.000 1.360 263 F HN 0.106 nan 8.300 nan 0.000 0.469 264 S N 2.053 117.735 115.700 -0.031 0.000 2.439 264 S HA 0.399 4.869 4.470 -0.000 0.000 0.282 264 S C -0.564 173.885 174.600 -0.251 0.000 1.170 264 S CA -0.412 57.725 58.200 -0.105 0.000 1.054 264 S CB 0.583 63.822 63.200 0.066 0.000 0.956 264 S HN 0.645 nan 8.310 nan 0.000 0.490 265 L N 6.349 127.355 121.223 -0.361 0.000 2.454 265 L HA 0.299 4.639 4.340 -0.000 0.000 0.284 265 L C 0.543 177.383 176.870 -0.049 0.000 1.139 265 L CA 0.588 55.239 54.840 -0.315 0.000 0.911 265 L CB -0.760 41.003 42.059 -0.494 0.000 1.262 265 L HN 0.775 nan 8.230 nan 0.000 0.453 266 T N -0.031 114.550 114.554 0.045 0.000 2.864 266 T HA 0.423 4.773 4.350 -0.000 0.000 0.289 266 T C 1.052 175.754 174.700 0.003 0.000 1.082 266 T CA -0.464 61.653 62.100 0.030 0.000 1.009 266 T CB 1.015 69.913 68.868 0.051 0.000 1.234 266 T HN -0.031 nan 8.240 nan 0.000 0.526 267 V N 0.761 120.630 119.914 -0.075 0.000 2.358 267 V HA -0.084 4.036 4.120 -0.000 0.000 0.246 267 V C 2.511 178.519 176.094 -0.144 0.000 1.047 267 V CA 2.464 64.700 62.300 -0.108 0.000 1.035 267 V CB -1.032 30.686 31.823 -0.176 0.000 0.658 267 V HN 1.100 nan 8.190 nan 0.000 0.452 268 D N 0.426 120.685 120.400 -0.234 0.000 2.144 268 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 268 D C 2.080 178.453 176.300 0.122 0.000 0.984 268 D CA 1.453 55.401 54.000 -0.087 0.000 0.834 268 D CB -0.118 40.696 40.800 0.023 0.000 0.955 268 D HN 0.365 nan 8.370 nan 0.000 0.465 269 A N 0.715 123.602 122.820 0.112 0.000 1.865 269 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 269 A C 2.473 179.940 177.584 -0.195 0.000 1.191 269 A CA 2.456 54.475 52.037 -0.030 0.000 0.623 269 A CB -1.380 17.766 19.000 0.243 0.000 0.826 269 A HN 0.366 nan 8.150 nan 0.000 0.444 270 A N -0.737 122.065 122.820 -0.029 0.000 1.908 270 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 270 A C 2.263 179.938 177.584 0.152 0.000 1.181 270 A CA 1.933 53.996 52.037 0.044 0.000 0.627 270 A CB -1.021 18.013 19.000 0.057 0.000 0.818 270 A HN 0.427 nan 8.150 nan 0.000 0.445 271 V N 0.029 120.011 119.914 0.115 0.000 2.295 271 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 271 V C 2.738 178.964 176.094 0.220 0.000 1.049 271 V CA 2.068 64.476 62.300 0.180 0.000 1.024 271 V CB -0.740 31.267 31.823 0.306 0.000 0.648 271 V HN 0.551 nan 8.190 nan 0.000 0.447 272 Q N -0.280 119.628 119.800 0.180 0.000 2.124 272 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 272 Q C 2.232 178.302 176.000 0.116 0.000 0.977 272 Q CA 1.542 57.449 55.803 0.173 0.000 0.850 272 Q CB -0.401 28.487 28.738 0.251 0.000 0.901 272 Q HN 0.713 nan 8.270 nan 0.000 0.429 273 Q N -0.661 119.119 119.800 -0.034 0.000 2.124 273 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 273 Q C 1.803 177.961 176.000 0.263 0.000 0.977 273 Q CA 1.211 57.028 55.803 0.023 0.000 0.850 273 Q CB -0.125 28.475 28.738 -0.231 0.000 0.901 273 Q HN 0.536 nan 8.270 nan 0.000 0.429 274 H N -0.018 119.159 119.070 0.177 0.000 2.357 274 H HA -0.029 4.527 4.556 -0.000 0.000 0.301 274 H C 1.734 177.151 175.328 0.149 0.000 1.082 274 H CA 1.094 57.256 56.048 0.191 0.000 1.342 274 H CB 0.003 29.856 29.762 0.151 0.000 1.389 274 H HN 0.115 nan 8.280 nan 0.000 0.511 275 L N -0.312 121.065 121.223 0.257 0.000 2.362 275 L HA -0.110 4.230 4.340 -0.000 0.000 0.219 275 L C 1.939 178.899 176.870 0.149 0.000 1.134 275 L CA 0.651 55.596 54.840 0.175 0.000 0.807 275 L CB -0.276 41.874 42.059 0.152 0.000 0.927 275 L HN 0.357 nan 8.230 nan 0.000 0.447 276 M N -1.205 118.506 119.600 0.186 0.000 2.374 276 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 276 M C 0.408 176.808 176.300 0.166 0.000 1.067 276 M CA 0.883 56.290 55.300 0.179 0.000 1.103 276 M CB 0.064 32.818 32.600 0.256 0.000 1.402 276 M HN 0.144 nan 8.290 nan 0.000 0.444 277 M N 1.858 121.538 119.600 0.133 0.000 2.180 277 M HA 0.137 4.617 4.480 -0.000 0.000 0.358 277 M C 0.230 176.564 176.300 0.057 0.000 1.233 277 M CA -0.125 55.218 55.300 0.071 0.000 1.114 277 M CB 0.513 33.055 32.600 -0.097 0.000 1.594 277 M HN 0.211 nan 8.290 nan 0.000 0.467 278 E N 0.558 120.790 120.200 0.055 0.000 2.398 278 E HA 0.413 4.763 4.350 -0.000 0.000 0.263 278 E C 0.821 177.442 176.600 0.035 0.000 1.046 278 E CA 0.141 56.565 56.400 0.041 0.000 0.908 278 E CB 0.290 30.010 29.700 0.034 0.000 0.963 278 E HN 0.918 nan 8.360 nan 0.000 0.431 279 G N 1.307 110.128 108.800 0.034 0.000 2.143 279 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.249 279 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.249 279 G C -0.007 174.916 174.900 0.037 0.000 0.981 279 G CA 0.102 45.220 45.100 0.030 0.000 0.665 279 G HN 0.455 nan 8.290 nan 0.000 0.528 280 V N 3.144 123.089 119.914 0.051 0.000 2.275 280 V HA 0.408 4.528 4.120 -0.000 0.000 0.272 280 V C -1.414 174.726 176.094 0.078 0.000 1.028 280 V CA -1.377 60.968 62.300 0.075 0.000 0.810 280 V CB 1.447 33.331 31.823 0.102 0.000 1.043 280 V HN 0.292 nan 8.190 nan 0.000 0.453 281 P HA 0.122 nan 4.420 nan 0.000 0.271 281 P C 1.082 178.422 177.300 0.068 0.000 1.220 281 P CA 0.068 63.199 63.100 0.052 0.000 0.768 281 P CB 1.508 33.226 31.700 0.030 0.000 0.848 282 S N 3.234 118.972 115.700 0.063 0.000 2.383 282 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 282 S C 1.914 176.558 174.600 0.073 0.000 1.030 282 S CA 1.105 59.347 58.200 0.070 0.000 1.002 282 S CB -1.265 61.965 63.200 0.050 0.000 0.829 282 S HN 0.515 nan 8.310 nan 0.000 0.467 283 A N 1.552 124.408 122.820 0.060 0.000 2.125 283 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 283 A C 2.152 179.804 177.584 0.113 0.000 1.156 283 A CA 1.277 53.358 52.037 0.072 0.000 0.671 283 A CB -0.425 18.599 19.000 0.040 0.000 0.794 283 A HN 0.639 nan 8.150 nan 0.000 0.459 284 K N -0.757 119.699 120.400 0.094 0.000 2.367 284 K HA 0.273 4.593 4.320 -0.000 0.000 0.194 284 K C -0.280 176.441 176.600 0.203 0.000 1.027 284 K CA -0.039 56.319 56.287 0.117 0.000 1.075 284 K CB 0.244 32.766 32.500 0.036 0.000 0.845 284 K HN 0.457 nan 8.250 nan 0.000 0.529 285 I N 2.153 122.813 120.570 0.149 0.000 2.416 285 I HA 0.056 4.226 4.170 -0.000 0.000 0.288 285 I C -0.262 175.916 176.117 0.102 0.000 1.051 285 I CA -0.454 60.910 61.300 0.105 0.000 1.375 285 I CB 1.145 39.189 38.000 0.073 0.000 1.407 285 I HN -0.277 nan 8.210 nan 0.000 0.516 286 V N 7.510 127.466 119.914 0.070 0.000 2.495 286 V HA 0.313 4.433 4.120 -0.000 0.000 0.298 286 V C 0.101 176.230 176.094 0.058 0.000 1.031 286 V CA -0.709 61.608 62.300 0.028 0.000 0.871 286 V CB 1.905 33.684 31.823 -0.073 0.000 0.988 286 V HN 0.700 nan 8.190 nan 0.000 0.432 287 M N 4.326 123.982 119.600 0.094 0.000 2.105 287 M HA 0.508 4.988 4.480 -0.000 0.000 0.350 287 M C 0.483 176.883 176.300 0.166 0.000 1.308 287 M CA -0.128 55.247 55.300 0.126 0.000 1.108 287 M CB 0.415 33.109 32.600 0.157 0.000 1.622 287 M HN 0.799 nan 8.290 nan 0.000 0.468 288 G N 4.207 113.138 108.800 0.218 0.000 2.420 288 G HA2 0.547 4.507 3.960 -0.000 0.000 0.284 288 G HA3 0.547 4.507 3.960 -0.000 0.000 0.284 288 G C -0.851 174.333 174.900 0.473 0.000 1.177 288 G CA -0.548 44.787 45.100 0.391 0.000 0.841 288 G HN 0.818 nan 8.290 nan 0.000 0.527 289 V N -0.484 119.648 119.914 0.364 0.000 2.962 289 V HA 0.870 4.989 4.120 -0.000 0.000 0.313 289 V C -2.703 173.361 176.094 -0.050 0.000 1.099 289 V CA -2.673 59.778 62.300 0.252 0.000 0.971 289 V CB 2.613 34.547 31.823 0.185 0.000 1.028 289 V HN 0.659 nan 8.190 nan 0.000 0.430 290 P HA 0.454 nan 4.420 nan 0.000 0.292 290 P C -0.829 176.586 177.300 0.192 0.000 1.283 290 P CA -0.300 62.560 63.100 -0.401 0.000 0.835 290 P CB 1.539 32.702 31.700 -0.895 0.000 1.017 291 F N 2.060 122.009 119.950 -0.002 0.000 2.668 291 F HA 0.238 4.765 4.527 -0.000 0.000 0.297 291 F C 0.360 176.220 175.800 0.101 0.000 1.124 291 F CA -0.526 57.496 58.000 0.037 0.000 1.353 291 F CB -0.658 38.342 39.000 0.000 0.000 0.992 291 F HN 0.243 nan 8.300 nan 0.000 0.524 292 Y N -2.615 117.808 120.300 0.205 0.000 2.615 292 Y HA 0.858 5.408 4.550 -0.000 0.000 0.341 292 Y C -0.141 175.842 175.900 0.140 0.000 1.089 292 Y CA -2.330 55.843 58.100 0.122 0.000 1.049 292 Y CB 0.822 39.338 38.460 0.093 0.000 1.296 292 Y HN -0.112 nan 8.280 nan 0.000 0.470 293 G N 1.089 109.992 108.800 0.172 0.000 2.454 293 G HA2 0.674 4.634 3.960 -0.000 0.000 0.329 293 G HA3 0.674 4.634 3.960 -0.000 0.000 0.329 293 G C -1.462 173.544 174.900 0.178 0.000 1.177 293 G CA -1.512 43.661 45.100 0.122 0.000 0.951 293 G HN 0.658 nan 8.290 nan 0.000 0.485 294 R N -0.009 120.576 120.500 0.141 0.000 2.387 294 R HA 0.600 4.940 4.340 -0.000 0.000 0.314 294 R C -0.356 175.987 176.300 0.072 0.000 0.958 294 R CA -0.443 55.710 56.100 0.088 0.000 0.846 294 R CB 1.957 32.306 30.300 0.081 0.000 1.147 294 R HN 0.600 nan 8.270 nan 0.000 0.447 295 A N 3.613 126.429 122.820 -0.007 0.000 2.324 295 A HA 0.741 5.061 4.320 -0.000 0.000 0.330 295 A C -1.110 176.596 177.584 0.203 0.000 1.165 295 A CA -0.442 51.707 52.037 0.186 0.000 0.813 295 A CB 0.595 19.695 19.000 0.167 0.000 1.197 295 A HN 0.561 nan 8.150 nan 0.000 0.484 296 F N 0.854 120.980 119.950 0.293 0.000 2.551 296 F HA 0.563 5.090 4.527 -0.000 0.000 0.316 296 F C 0.515 176.291 175.800 -0.039 0.000 1.089 296 F CA -0.559 57.509 58.000 0.113 0.000 0.915 296 F CB 2.393 41.381 39.000 -0.020 0.000 1.186 296 F HN 0.710 nan 8.300 nan 0.000 0.456 297 K N -0.255 119.991 120.400 -0.257 0.000 2.306 297 K HA 0.817 5.137 4.320 -0.000 0.000 0.236 297 K C 0.488 176.989 176.600 -0.165 0.000 1.013 297 K CA -0.641 55.354 56.287 -0.487 0.000 0.857 297 K CB 1.792 33.455 32.500 -1.394 0.000 1.214 297 K HN 0.874 nan 8.250 nan 0.000 0.449 298 G N -0.178 108.540 108.800 -0.136 0.000 2.198 298 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 298 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 298 G C 0.030 174.946 174.900 0.027 0.000 1.025 298 G CA 0.274 45.345 45.100 -0.048 0.000 0.769 298 G HN 0.918 nan 8.290 nan 0.000 0.507 299 V N -1.760 118.196 119.914 0.070 0.000 2.997 299 V HA 0.936 5.056 4.120 -0.000 0.000 0.311 299 V C 0.599 176.745 176.094 0.087 0.000 1.066 299 V CA 0.122 62.463 62.300 0.069 0.000 1.039 299 V CB 1.680 33.549 31.823 0.076 0.000 1.081 299 V HN 1.204 nan 8.190 nan 0.000 0.467 300 S N 1.650 117.371 115.700 0.035 0.000 2.739 300 S HA 0.875 5.345 4.470 -0.000 0.000 0.306 300 S C 0.286 174.904 174.600 0.029 0.000 1.115 300 S CA -0.210 58.020 58.200 0.049 0.000 0.985 300 S CB 1.196 64.398 63.200 0.005 0.000 1.133 300 S HN 1.514 nan 8.310 nan 0.000 0.541 301 G N -1.526 107.307 108.800 0.054 0.000 2.543 301 G HA2 0.550 4.510 3.960 -0.000 0.000 0.290 301 G HA3 0.550 4.510 3.960 -0.000 0.000 0.290 301 G C 0.841 175.694 174.900 -0.078 0.000 1.310 301 G CA -0.333 44.766 45.100 -0.002 0.000 1.025 301 G HN 1.877 nan 8.290 nan 0.000 0.502 302 G N -0.859 107.885 108.800 -0.093 0.000 2.491 302 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.203 302 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.203 302 G C 0.625 175.465 174.900 -0.101 0.000 1.052 302 G CA 0.513 45.570 45.100 -0.072 0.000 0.675 302 G HN 0.880 nan 8.290 nan 0.000 0.504 303 N N 0.469 119.054 118.700 -0.191 0.000 2.451 303 N HA 0.433 5.173 4.740 -0.000 0.000 0.271 303 N C 1.158 176.493 175.510 -0.291 0.000 1.410 303 N CA 0.639 53.571 53.050 -0.196 0.000 0.884 303 N CB 0.166 38.536 38.487 -0.194 0.000 1.332 303 N HN 1.344 nan 8.380 nan 0.000 0.498 304 G N 0.284 108.842 108.800 -0.403 0.000 2.225 304 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 304 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 304 G C 0.919 175.444 174.900 -0.625 0.000 1.024 304 G CA 0.380 45.153 45.100 -0.545 0.000 0.784 304 G HN 0.795 nan 8.290 nan 0.000 0.507 305 G N -1.965 106.374 108.800 -0.768 0.000 2.241 305 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 305 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 305 G C 0.430 174.754 174.900 -0.960 0.000 0.998 305 G CA 0.890 45.712 45.100 -0.463 0.000 0.621 305 G HN 1.286 nan 8.290 nan 0.000 0.519 306 Q N -0.585 118.573 119.800 -1.070 0.000 2.373 306 Q HA 0.479 4.819 4.340 -0.000 0.000 0.255 306 Q C 0.452 175.792 176.000 -1.099 0.000 0.980 306 Q CA -0.312 54.544 55.803 -1.579 0.000 0.882 306 Q CB 0.309 27.944 28.738 -1.838 0.000 1.249 306 Q HN 0.681 nan 8.270 nan 0.000 0.438 307 Y N -1.483 118.431 120.300 -0.644 0.000 3.589 307 Y HA -0.261 4.289 4.550 -0.000 0.000 0.218 307 Y C -0.026 175.674 175.900 -0.333 0.000 1.234 307 Y CA 0.741 58.596 58.100 -0.409 0.000 1.576 307 Y CB -2.329 35.956 38.460 -0.292 0.000 1.487 307 Y HN 0.519 nan 8.280 nan 0.000 0.616 308 S N -0.265 115.262 115.700 -0.288 0.000 2.607 308 S HA 0.812 5.282 4.470 -0.000 0.000 0.303 308 S C 0.364 174.888 174.600 -0.126 0.000 1.086 308 S CA -0.115 57.966 58.200 -0.199 0.000 0.995 308 S CB 1.352 64.411 63.200 -0.236 0.000 1.084 308 S HN 0.564 nan 8.310 nan 0.000 0.507 309 S N 1.661 117.314 115.700 -0.079 0.000 2.600 309 S HA 0.564 5.034 4.470 -0.000 0.000 0.265 309 S C -0.274 174.326 174.600 0.002 0.000 1.325 309 S CA -0.080 58.079 58.200 -0.067 0.000 1.002 309 S CB 0.040 63.186 63.200 -0.090 0.000 0.921 309 S HN 1.114 nan 8.310 nan 0.000 0.554 310 H N -2.567 116.481 119.070 -0.037 0.000 2.960 310 H HA 0.660 5.215 4.556 -0.000 0.000 0.323 310 H C -0.724 174.606 175.328 0.003 0.000 1.326 310 H CA -0.491 55.554 56.048 -0.005 0.000 1.124 310 H CB 0.821 30.631 29.762 0.080 0.000 1.853 310 H HN 0.548 nan 8.280 nan 0.000 0.536 311 S N -0.342 115.421 115.700 0.105 0.000 2.661 311 S HA 0.261 4.731 4.470 -0.000 0.000 0.245 311 S C -0.619 174.051 174.600 0.117 0.000 1.117 311 S CA -0.469 57.743 58.200 0.020 0.000 1.091 311 S CB -0.708 62.464 63.200 -0.048 0.000 0.887 311 S HN 0.652 nan 8.310 nan 0.000 0.491 312 T N 4.528 119.336 114.554 0.423 0.000 2.743 312 T HA 0.432 4.782 4.350 -0.000 0.000 0.293 312 T C -2.741 172.147 174.700 0.314 0.000 0.945 312 T CA -1.279 61.017 62.100 0.326 0.000 1.030 312 T CB 0.813 69.815 68.868 0.223 0.000 0.912 312 T HN 0.167 nan 8.240 nan 0.000 0.483 313 P HA 0.209 nan 4.420 nan 0.000 0.268 313 P C 0.871 178.329 177.300 0.263 0.000 1.204 313 P CA -0.096 63.155 63.100 0.251 0.000 0.768 313 P CB 0.478 32.333 31.700 0.259 0.000 0.842 314 G N 1.892 110.831 108.800 0.232 0.000 2.986 314 G HA2 0.008 3.968 3.960 -0.000 0.000 0.213 314 G HA3 0.008 3.968 3.960 -0.000 0.000 0.213 314 G C 0.152 175.203 174.900 0.252 0.000 1.156 314 G CA 0.014 45.275 45.100 0.268 0.000 0.763 314 G HN 0.409 nan 8.290 nan 0.000 0.547 315 E N 1.086 121.406 120.200 0.200 0.000 2.392 315 E HA 0.397 4.747 4.350 -0.000 0.000 0.259 315 E C -0.765 175.942 176.600 0.177 0.000 1.108 315 E CA 0.096 56.596 56.400 0.165 0.000 0.916 315 E CB 0.963 30.732 29.700 0.115 0.000 0.989 315 E HN 0.003 nan 8.360 nan 0.000 0.432 316 D N 2.182 122.675 120.400 0.154 0.000 2.629 316 D HA 0.271 4.911 4.640 -0.000 0.000 0.250 316 D C -1.940 174.438 176.300 0.130 0.000 1.126 316 D CA -1.187 52.904 54.000 0.152 0.000 0.852 316 D CB 1.283 42.176 40.800 0.156 0.000 1.335 316 D HN 0.319 nan 8.370 nan 0.000 0.518 317 P HA 0.084 nan 4.420 nan 0.000 0.274 317 P C -0.361 177.047 177.300 0.179 0.000 1.260 317 P CA -0.471 62.714 63.100 0.140 0.000 0.793 317 P CB 0.705 32.475 31.700 0.117 0.000 1.048 318 Y N 2.433 122.779 120.300 0.078 0.000 2.770 318 Y HA 0.029 4.579 4.550 -0.000 0.000 0.342 318 Y C -1.146 174.813 175.900 0.097 0.000 1.221 318 Y CA -1.548 56.610 58.100 0.095 0.000 1.560 318 Y CB 0.281 38.801 38.460 0.101 0.000 1.213 318 Y HN 0.221 nan 8.280 nan 0.000 0.525 319 P HA 0.024 nan 4.420 nan 0.000 0.246 319 P C -0.709 176.363 177.300 -0.381 0.000 1.686 319 P CA 0.477 63.440 63.100 -0.228 0.000 0.867 319 P CB 0.063 31.703 31.700 -0.099 0.000 1.733 320 S N -0.748 114.586 115.700 -0.611 0.000 2.636 320 S HA 0.405 4.875 4.470 -0.000 0.000 0.266 320 S C 0.259 174.687 174.600 -0.287 0.000 1.147 320 S CA -0.075 57.846 58.200 -0.465 0.000 0.815 320 S CB 0.674 63.567 63.200 -0.513 0.000 1.119 320 S HN 0.059 nan 8.310 nan 0.000 0.470 321 T N -1.020 113.401 114.554 -0.222 0.000 3.084 321 T HA 0.303 4.652 4.350 -0.000 0.000 0.270 321 T C -0.239 174.027 174.700 -0.723 0.000 1.008 321 T CA 0.039 61.900 62.100 -0.399 0.000 0.900 321 T CB -0.178 68.549 68.868 -0.235 0.000 1.084 321 T HN 0.482 nan 8.240 nan 0.000 0.538 322 D N 1.833 122.069 120.400 -0.274 0.000 2.393 322 D HA 0.125 4.765 4.640 -0.000 0.000 0.232 322 D C -1.080 175.208 176.300 -0.020 0.000 1.192 322 D CA -0.665 53.280 54.000 -0.092 0.000 0.882 322 D CB -0.032 40.882 40.800 0.190 0.000 1.038 322 D HN 0.291 nan 8.370 nan 0.000 0.499 323 Y N 4.770 125.096 120.300 0.044 0.000 2.802 323 Y HA 0.156 4.706 4.550 -0.000 0.000 0.330 323 Y C 0.824 176.614 175.900 -0.183 0.000 1.193 323 Y CA -1.253 56.718 58.100 -0.214 0.000 1.427 323 Y CB -0.273 38.086 38.460 -0.167 0.000 1.357 323 Y HN 0.525 nan 8.280 nan 0.000 0.501 324 W N 1.041 122.404 121.300 0.105 0.000 3.180 324 W HA 0.213 4.873 4.660 -0.000 0.000 0.254 324 W C -0.617 175.896 176.519 -0.010 0.000 1.318 324 W CA -0.440 56.925 57.345 0.034 0.000 1.608 324 W CB 0.008 29.491 29.460 0.038 0.000 1.124 324 W HN 0.306 nan 8.180 nan 0.000 0.694 325 L N 3.240 124.387 121.223 -0.128 0.000 2.356 325 L HA 0.262 4.602 4.340 -0.000 0.000 0.282 325 L C 0.266 177.122 176.870 -0.023 0.000 1.132 325 L CA -0.786 54.045 54.840 -0.015 0.000 0.923 325 L CB 0.258 42.148 42.059 -0.282 0.000 1.278 325 L HN -0.205 nan 8.230 nan 0.000 0.436 326 V N 5.617 125.556 119.914 0.042 0.000 2.644 326 V HA 0.224 4.344 4.120 -0.000 0.000 0.305 326 V C 1.602 177.556 176.094 -0.234 0.000 1.053 326 V CA 1.028 63.288 62.300 -0.066 0.000 1.186 326 V CB 0.033 31.805 31.823 -0.085 0.000 0.895 326 V HN 1.061 nan 8.190 nan 0.000 0.490 327 G N 2.761 111.240 108.800 -0.535 0.000 2.179 327 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 327 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 327 G C 0.490 175.094 174.900 -0.493 0.000 0.977 327 G CA 0.089 44.559 45.100 -1.049 0.000 0.641 327 G HN 1.070 nan 8.290 nan 0.000 0.533 328 C N 1.820 120.930 119.300 -0.316 0.000 2.158 328 C HA 0.677 5.137 4.460 -0.000 0.000 0.350 328 C C 1.842 176.703 174.990 -0.215 0.000 1.064 328 C CA -0.049 58.813 59.018 -0.259 0.000 1.507 328 C CB -0.672 26.909 27.740 -0.266 0.000 1.934 328 C HN 0.494 nan 8.230 nan 0.000 0.479 329 E N 1.189 121.285 120.200 -0.173 0.000 2.051 329 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 329 E C 1.869 178.376 176.600 -0.154 0.000 0.991 329 E CA 1.569 57.888 56.400 -0.135 0.000 0.799 329 E CB -0.021 29.627 29.700 -0.086 0.000 0.748 329 E HN 0.780 nan 8.360 nan 0.000 0.449 330 E N -0.094 120.016 120.200 -0.151 0.000 2.160 330 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 330 E C 2.013 178.488 176.600 -0.209 0.000 0.991 330 E CA 1.098 57.410 56.400 -0.147 0.000 0.810 330 E CB -0.262 29.364 29.700 -0.122 0.000 0.742 330 E HN 0.310 nan 8.360 nan 0.000 0.466 331 C N 0.382 119.525 119.300 -0.263 0.000 2.422 331 C HA -0.078 4.382 4.460 -0.000 0.000 0.279 331 C C 2.726 177.406 174.990 -0.515 0.000 1.305 331 C CA 0.266 59.064 59.018 -0.366 0.000 1.757 331 C CB -0.661 26.841 27.740 -0.397 0.000 1.962 331 C HN 0.261 nan 8.230 nan 0.000 0.499 332 V N 0.888 120.531 119.914 -0.452 0.000 2.453 332 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 332 V C 2.679 178.536 176.094 -0.395 0.000 1.048 332 V CA 1.838 63.800 62.300 -0.563 0.000 1.049 332 V CB -0.747 30.922 31.823 -0.255 0.000 0.672 332 V HN 0.511 nan 8.190 nan 0.000 0.457 333 R N 0.528 120.882 120.500 -0.244 0.000 2.091 333 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 333 R C 1.363 177.565 176.300 -0.163 0.000 1.136 333 R CA 2.090 58.096 56.100 -0.155 0.000 0.959 333 R CB -0.216 30.020 30.300 -0.106 0.000 0.856 333 R HN 0.474 nan 8.270 nan 0.000 0.437 334 D N 0.517 120.793 120.400 -0.206 0.000 2.328 334 D HA 0.035 4.674 4.640 -0.000 0.000 0.221 334 D C -0.257 175.915 176.300 -0.212 0.000 1.072 334 D CA 0.151 54.052 54.000 -0.166 0.000 0.850 334 D CB 0.292 41.012 40.800 -0.133 0.000 0.922 334 D HN 0.181 nan 8.370 nan 0.000 0.516 335 K N 1.274 121.445 120.400 -0.382 0.000 3.156 335 K HA -0.190 4.130 4.320 -0.000 0.000 0.266 335 K C -0.541 175.940 176.600 -0.199 0.000 0.966 335 K CA 0.575 56.616 56.287 -0.409 0.000 0.719 335 K CB -1.018 31.485 32.500 0.005 0.000 1.333 335 K HN 0.107 nan 8.250 nan 0.000 0.468 336 D N -0.778 119.355 120.400 -0.444 0.000 2.548 336 D HA 0.096 4.736 4.640 -0.000 0.000 0.214 336 D C -2.384 173.532 176.300 -0.641 0.000 1.345 336 D CA -1.419 52.267 54.000 -0.524 0.000 0.945 336 D CB 1.591 42.221 40.800 -0.283 0.000 1.499 336 D HN -0.120 nan 8.370 nan 0.000 0.579 337 P HA 0.177 nan 4.420 nan 0.000 0.261 337 P C 0.691 177.468 177.300 -0.871 0.000 1.268 337 P CA -0.029 62.478 63.100 -0.988 0.000 0.833 337 P CB 0.544 31.285 31.700 -1.599 0.000 1.231 338 R N -0.636 119.508 120.500 -0.592 0.000 2.276 338 R HA 0.224 4.564 4.340 -0.000 0.000 0.196 338 R C 0.590 176.777 176.300 -0.188 0.000 0.961 338 R CA 0.378 56.302 56.100 -0.293 0.000 1.024 338 R CB 0.217 30.414 30.300 -0.172 0.000 0.940 338 R HN 0.162 nan 8.270 nan 0.000 0.480 339 I N 0.413 120.866 120.570 -0.195 0.000 2.533 339 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 339 I C -0.842 175.212 176.117 -0.104 0.000 1.056 339 I CA -0.973 60.279 61.300 -0.080 0.000 1.057 339 I CB 1.851 39.795 38.000 -0.092 0.000 1.240 339 I HN -0.116 nan 8.210 nan 0.000 0.423 340 A N 4.387 127.187 122.820 -0.034 0.000 2.381 340 A HA 0.660 4.980 4.320 -0.000 0.000 0.299 340 A C -0.014 177.563 177.584 -0.012 0.000 1.049 340 A CA -0.527 51.455 52.037 -0.092 0.000 0.715 340 A CB 1.412 20.299 19.000 -0.189 0.000 1.222 340 A HN 0.762 nan 8.150 nan 0.000 0.428 341 S N 1.727 117.409 115.700 -0.031 0.000 2.573 341 S HA 0.149 4.619 4.470 -0.000 0.000 0.277 341 S C 0.889 175.460 174.600 -0.048 0.000 1.346 341 S CA 0.285 58.492 58.200 0.011 0.000 1.034 341 S CB 0.095 63.264 63.200 -0.052 0.000 0.879 341 S HN 1.119 nan 8.310 nan 0.000 0.528 342 Y N 2.655 122.903 120.300 -0.086 0.000 2.193 342 Y HA -0.213 4.337 4.550 -0.000 0.000 0.285 342 Y C 2.679 178.479 175.900 -0.166 0.000 1.166 342 Y CA 2.209 60.217 58.100 -0.153 0.000 1.181 342 Y CB -0.346 37.996 38.460 -0.197 0.000 0.976 342 Y HN 0.853 nan 8.280 nan 0.000 0.520 343 R N -0.089 120.309 120.500 -0.170 0.000 2.096 343 R HA -0.292 4.048 4.340 -0.000 0.000 0.240 343 R C 2.353 178.494 176.300 -0.265 0.000 1.139 343 R CA 2.167 58.150 56.100 -0.196 0.000 0.952 343 R CB -0.395 29.860 30.300 -0.074 0.000 0.854 343 R HN 0.419 nan 8.270 nan 0.000 0.436 344 Q N 0.595 120.258 119.800 -0.230 0.000 2.083 344 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 344 Q C 2.100 177.913 176.000 -0.312 0.000 0.969 344 Q CA 1.537 57.205 55.803 -0.226 0.000 0.838 344 Q CB -0.220 28.401 28.738 -0.195 0.000 0.900 344 Q HN 0.475 nan 8.270 nan 0.000 0.436 345 L N 0.286 121.259 121.223 -0.417 0.000 2.046 345 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 345 L C 2.517 179.070 176.870 -0.527 0.000 1.077 345 L CA 1.819 56.336 54.840 -0.538 0.000 0.747 345 L CB -0.506 41.139 42.059 -0.689 0.000 0.896 345 L HN 0.413 nan 8.230 nan 0.000 0.432 346 E N -0.025 119.802 120.200 -0.622 0.000 2.110 346 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 346 E C 2.186 178.632 176.600 -0.257 0.000 0.988 346 E CA 1.151 57.255 56.400 -0.494 0.000 0.804 346 E CB 0.086 29.419 29.700 -0.611 0.000 0.745 346 E HN 0.527 nan 8.360 nan 0.000 0.458 347 Q N -0.322 119.347 119.800 -0.218 0.000 2.119 347 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 347 Q C 2.206 178.207 176.000 0.002 0.000 0.972 347 Q CA 1.525 57.274 55.803 -0.090 0.000 0.847 347 Q CB -0.042 28.653 28.738 -0.072 0.000 0.903 347 Q HN 0.369 nan 8.270 nan 0.000 0.433 348 M N 0.105 119.667 119.600 -0.063 0.000 2.159 348 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 348 M C 2.010 178.421 176.300 0.186 0.000 1.063 348 M CA 1.310 56.656 55.300 0.076 0.000 1.110 348 M CB -0.112 32.337 32.600 -0.252 0.000 1.374 348 M HN 0.204 nan 8.290 nan 0.000 0.411 349 L N 0.177 121.388 121.223 -0.020 0.000 2.093 349 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 349 L C 2.634 179.522 176.870 0.030 0.000 1.085 349 L CA 1.228 56.077 54.840 0.014 0.000 0.755 349 L CB -0.489 41.528 42.059 -0.071 0.000 0.904 349 L HN 0.468 nan 8.230 nan 0.000 0.435 350 Q N -0.902 118.899 119.800 0.000 0.000 2.444 350 Q HA 0.000 4.340 4.340 -0.000 0.000 0.206 350 Q C 1.479 177.461 176.000 -0.031 0.000 0.948 350 Q CA 0.871 56.665 55.803 -0.015 0.000 0.946 350 Q CB -0.042 28.679 28.738 -0.028 0.000 1.027 350 Q HN 0.368 nan 8.270 nan 0.000 0.513 351 G N 1.653 110.446 108.800 -0.011 0.000 3.088 351 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.217 351 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.217 351 G C 0.275 174.901 174.900 -0.456 0.000 1.159 351 G CA -0.251 44.715 45.100 -0.222 0.000 0.760 351 G HN 0.602 nan 8.290 nan 0.000 0.550 352 N N -0.867 117.714 118.700 -0.198 0.000 2.708 352 N HA -0.218 4.522 4.740 -0.000 0.000 0.255 352 N C -0.208 175.160 175.510 -0.237 0.000 1.046 352 N CA 0.136 53.079 53.050 -0.179 0.000 0.715 352 N CB -0.738 37.638 38.487 -0.185 0.000 0.895 352 N HN 0.397 nan 8.380 nan 0.000 0.545 353 Y N -0.627 119.708 120.300 0.059 0.000 2.467 353 Y HA 0.304 4.854 4.550 -0.000 0.000 0.250 353 Y C 1.944 177.787 175.900 -0.095 0.000 1.155 353 Y CA 0.856 58.989 58.100 0.056 0.000 1.249 353 Y CB 0.767 39.357 38.460 0.216 0.000 1.146 353 Y HN 0.462 nan 8.280 nan 0.000 0.524 354 G N -1.301 107.456 108.800 -0.072 0.000 2.184 354 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.206 354 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.206 354 G C -0.312 174.261 174.900 -0.546 0.000 0.995 354 G CA -0.636 44.205 45.100 -0.431 0.000 0.651 354 G HN 0.193 nan 8.290 nan 0.000 0.511 355 Y N 1.311 121.592 120.300 -0.031 0.000 2.309 355 Y HA 0.589 5.139 4.550 -0.000 0.000 0.327 355 Y C 0.979 176.867 175.900 -0.021 0.000 1.172 355 Y CA -0.029 58.072 58.100 0.001 0.000 1.280 355 Y CB 0.884 39.389 38.460 0.075 0.000 1.234 355 Y HN 0.199 nan 8.280 nan 0.000 0.512 356 Q N 2.783 122.678 119.800 0.159 0.000 2.331 356 Q HA 0.372 4.712 4.340 -0.000 0.000 0.267 356 Q C -0.626 175.438 176.000 0.106 0.000 1.006 356 Q CA -0.988 54.878 55.803 0.105 0.000 0.818 356 Q CB 2.278 31.076 28.738 0.100 0.000 1.276 356 Q HN 0.536 nan 8.270 nan 0.000 0.450 357 R N 3.837 124.378 120.500 0.067 0.000 2.234 357 R HA 0.425 4.765 4.340 -0.000 0.000 0.324 357 R C -1.143 175.127 176.300 -0.050 0.000 1.054 357 R CA -0.030 56.097 56.100 0.044 0.000 0.912 357 R CB 0.361 30.718 30.300 0.095 0.000 1.030 357 R HN 0.594 nan 8.270 nan 0.000 0.455 358 L N 3.476 124.528 121.223 -0.285 0.000 2.286 358 L HA 0.611 4.951 4.340 -0.000 0.000 0.265 358 L C -0.754 175.959 176.870 -0.262 0.000 1.012 358 L CA -1.015 53.575 54.840 -0.415 0.000 0.818 358 L CB 1.955 43.491 42.059 -0.871 0.000 1.337 358 L HN 0.634 nan 8.230 nan 0.000 0.438 359 W N 1.852 123.051 121.300 -0.169 0.000 2.957 359 W HA 0.322 4.982 4.660 -0.000 0.000 0.336 359 W C -1.593 175.051 176.519 0.208 0.000 1.087 359 W CA -0.565 56.801 57.345 0.035 0.000 1.235 359 W CB 1.936 31.393 29.460 -0.005 0.000 1.399 359 W HN 0.441 nan 8.180 nan 0.000 0.480 360 N N 3.861 122.347 118.700 -0.355 0.000 2.437 360 N HA 0.035 4.775 4.740 -0.000 0.000 0.259 360 N C -0.054 175.052 175.510 -0.674 0.000 0.983 360 N CA 0.201 53.069 53.050 -0.304 0.000 0.937 360 N CB 1.363 39.624 38.487 -0.378 0.000 1.122 360 N HN 0.454 nan 8.380 nan 0.000 0.499 361 D N 2.655 122.916 120.400 -0.230 0.000 2.349 361 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 361 D C 1.081 177.322 176.300 -0.099 0.000 1.029 361 D CA 0.826 54.788 54.000 -0.065 0.000 0.879 361 D CB 0.594 41.523 40.800 0.213 0.000 0.906 361 D HN 0.459 nan 8.370 nan 0.000 0.528 362 K N -0.958 119.362 120.400 -0.134 0.000 2.141 362 K HA 0.011 4.331 4.320 -0.000 0.000 0.202 362 K C 2.036 178.586 176.600 -0.083 0.000 1.045 362 K CA 1.283 57.531 56.287 -0.064 0.000 0.971 362 K CB -0.400 32.082 32.500 -0.030 0.000 0.795 362 K HN 0.218 nan 8.250 nan 0.000 0.459 363 T N -0.541 113.868 114.554 -0.243 0.000 3.055 363 T HA 0.012 4.362 4.350 -0.000 0.000 0.265 363 T C 0.536 174.988 174.700 -0.414 0.000 1.111 363 T CA 0.217 62.136 62.100 -0.302 0.000 1.118 363 T CB -0.048 68.511 68.868 -0.516 0.000 0.909 363 T HN 0.010 nan 8.240 nan 0.000 0.501 364 K N 2.141 122.181 120.400 -0.599 0.000 3.125 364 K HA -0.118 4.201 4.320 -0.000 0.000 0.268 364 K C -0.020 176.001 176.600 -0.965 0.000 1.078 364 K CA 1.245 57.059 56.287 -0.788 0.000 0.775 364 K CB -2.802 29.363 32.500 -0.557 0.000 1.253 364 K HN 0.895 nan 8.250 nan 0.000 0.486 365 T N -2.438 111.358 114.554 -1.264 0.000 2.903 365 T HA 0.716 5.066 4.350 -0.000 0.000 0.299 365 T C -2.920 171.293 174.700 -0.812 0.000 1.093 365 T CA -1.757 59.824 62.100 -0.865 0.000 1.002 365 T CB 3.783 72.382 68.868 -0.449 0.000 1.127 365 T HN -0.152 nan 8.240 nan 0.000 0.488 366 P HA 0.579 nan 4.420 nan 0.000 0.283 366 P C -1.677 175.609 177.300 -0.023 0.000 1.278 366 P CA -0.543 62.491 63.100 -0.111 0.000 0.834 366 P CB 0.772 32.368 31.700 -0.173 0.000 1.150 367 Y N -2.388 117.936 120.300 0.041 0.000 2.641 367 Y HA 0.618 5.168 4.550 -0.000 0.000 0.333 367 Y C -1.811 174.238 175.900 0.247 0.000 1.174 367 Y CA -1.386 56.780 58.100 0.110 0.000 1.057 367 Y CB 0.426 38.889 38.460 0.004 0.000 1.322 367 Y HN 0.102 nan 8.280 nan 0.000 0.457 368 L N 2.797 124.162 121.223 0.237 0.000 2.331 368 L HA 0.573 4.913 4.340 -0.000 0.000 0.275 368 L C -1.389 175.734 176.870 0.421 0.000 1.022 368 L CA -1.157 53.813 54.840 0.217 0.000 0.812 368 L CB 1.934 44.043 42.059 0.084 0.000 1.257 368 L HN 0.765 nan 8.230 nan 0.000 0.435 369 Y N 1.908 122.384 120.300 0.294 0.000 2.386 369 Y HA 0.337 4.887 4.550 -0.000 0.000 0.334 369 Y C -0.946 175.122 175.900 0.281 0.000 1.002 369 Y CA -0.994 57.307 58.100 0.336 0.000 1.068 369 Y CB 1.165 39.798 38.460 0.289 0.000 1.203 369 Y HN 0.497 nan 8.280 nan 0.000 0.443 370 H N 6.196 125.113 119.070 -0.255 0.000 2.691 370 H HA 0.508 5.064 4.556 -0.000 0.000 0.281 370 H C 0.268 175.158 175.328 -0.729 0.000 1.121 370 H CA 0.559 56.348 56.048 -0.431 0.000 1.254 370 H CB 1.383 30.940 29.762 -0.343 0.000 1.390 370 H HN 0.972 nan 8.280 nan 0.000 0.491 371 A N 3.909 126.174 122.820 -0.924 0.000 1.908 371 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 371 A C 2.228 179.662 177.584 -0.251 0.000 1.181 371 A CA 1.672 53.284 52.037 -0.709 0.000 0.627 371 A CB -0.385 18.384 19.000 -0.385 0.000 0.818 371 A HN 0.786 nan 8.150 nan 0.000 0.445 372 Q N -0.755 118.918 119.800 -0.212 0.000 2.084 372 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 372 Q C 0.923 176.994 176.000 0.119 0.000 0.978 372 Q CA 1.849 57.644 55.803 -0.013 0.000 0.844 372 Q CB -0.089 28.641 28.738 -0.012 0.000 0.898 372 Q HN 0.659 nan 8.270 nan 0.000 0.426 373 N N -1.142 117.740 118.700 0.303 0.000 2.236 373 N HA 0.145 4.885 4.740 -0.000 0.000 0.196 373 N C -0.141 175.378 175.510 0.015 0.000 1.114 373 N CA 0.821 53.894 53.050 0.038 0.000 0.859 373 N CB 1.215 39.545 38.487 -0.261 0.000 0.982 373 N HN 0.351 nan 8.380 nan 0.000 0.493 374 G N 0.890 109.729 108.800 0.065 0.000 2.289 374 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.280 374 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.280 374 G C -0.483 174.504 174.900 0.145 0.000 1.089 374 G CA 0.020 45.184 45.100 0.108 0.000 0.939 374 G HN 0.221 nan 8.290 nan 0.000 0.499 375 L N -1.085 120.259 121.223 0.201 0.000 2.330 375 L HA 0.921 5.261 4.340 -0.000 0.000 0.271 375 L C -0.094 177.098 176.870 0.537 0.000 1.013 375 L CA -1.366 53.664 54.840 0.316 0.000 0.816 375 L CB 1.934 44.182 42.059 0.315 0.000 1.287 375 L HN 0.181 nan 8.230 nan 0.000 0.435 376 F N 1.710 121.873 119.950 0.355 0.000 2.581 376 F HA 0.720 5.247 4.527 -0.000 0.000 0.311 376 F C -1.455 174.560 175.800 0.358 0.000 1.113 376 F CA -0.606 57.596 58.000 0.337 0.000 0.935 376 F CB 1.757 40.828 39.000 0.118 0.000 1.232 376 F HN 0.051 nan 8.300 nan 0.000 0.445 377 V N 4.039 123.729 119.914 -0.374 0.000 2.588 377 V HA 0.528 4.648 4.120 -0.000 0.000 0.304 377 V C -0.527 175.256 176.094 -0.519 0.000 1.042 377 V CA -0.714 61.412 62.300 -0.290 0.000 0.877 377 V CB 1.762 33.511 31.823 -0.122 0.000 0.996 377 V HN 0.865 nan 8.190 nan 0.000 0.425 378 T N 5.017 119.394 114.554 -0.294 0.000 2.779 378 T HA 0.773 5.123 4.350 -0.000 0.000 0.280 378 T C -0.984 173.808 174.700 0.154 0.000 0.987 378 T CA -0.233 61.801 62.100 -0.111 0.000 0.966 378 T CB 0.556 69.407 68.868 -0.028 0.000 0.933 378 T HN 0.833 nan 8.240 nan 0.000 0.442 379 Y N 1.431 121.705 120.300 -0.044 0.000 2.744 379 Y HA 0.819 5.368 4.550 -0.000 0.000 0.330 379 Y C -1.498 174.373 175.900 -0.048 0.000 1.263 379 Y CA -1.660 56.406 58.100 -0.056 0.000 1.065 379 Y CB 0.473 38.904 38.460 -0.049 0.000 1.306 379 Y HN 0.479 nan 8.280 nan 0.000 0.459 380 D N 0.495 120.794 120.400 -0.168 0.000 2.340 380 D HA 0.512 5.152 4.640 -0.000 0.000 0.240 380 D C -1.352 174.639 176.300 -0.514 0.000 1.001 380 D CA -0.107 53.662 54.000 -0.385 0.000 0.888 380 D CB 1.769 42.422 40.800 -0.245 0.000 1.310 380 D HN 0.719 nan 8.370 nan 0.000 0.474 381 D N -0.744 119.222 120.400 -0.723 0.000 2.752 381 D HA 0.395 5.035 4.640 -0.000 0.000 0.313 381 D C 0.293 176.096 176.300 -0.828 0.000 1.225 381 D CA -0.802 52.773 54.000 -0.709 0.000 0.976 381 D CB 0.439 41.177 40.800 -0.104 0.000 1.443 381 D HN 0.276 nan 8.370 nan 0.000 0.515 382 A N -0.407 122.102 122.820 -0.518 0.000 2.076 382 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 382 A C 1.672 179.265 177.584 0.015 0.000 1.160 382 A CA 1.373 53.282 52.037 -0.213 0.000 0.653 382 A CB -0.626 18.291 19.000 -0.138 0.000 0.801 382 A HN 0.490 nan 8.150 nan 0.000 0.455 383 E N 0.265 120.443 120.200 -0.037 0.000 2.033 383 E HA -0.115 4.235 4.350 -0.000 0.000 0.189 383 E C 2.545 179.314 176.600 0.283 0.000 0.979 383 E CA 1.517 57.933 56.400 0.027 0.000 0.802 383 E CB -0.696 28.922 29.700 -0.138 0.000 0.763 383 E HN 0.747 nan 8.360 nan 0.000 0.449 384 S N 0.700 116.607 115.700 0.346 0.000 2.419 384 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 384 S C 1.883 176.752 174.600 0.448 0.000 1.016 384 S CA 0.696 59.168 58.200 0.455 0.000 0.974 384 S CB -0.462 62.803 63.200 0.108 0.000 0.786 384 S HN 0.040 nan 8.310 nan 0.000 0.492 385 F N 2.405 122.455 119.950 0.166 0.000 2.365 385 F HA 0.206 4.733 4.527 -0.000 0.000 0.300 385 F C 2.237 178.082 175.800 0.076 0.000 1.090 385 F CA -0.034 58.055 58.000 0.148 0.000 1.408 385 F CB -0.708 38.368 39.000 0.126 0.000 1.060 385 F HN 0.283 nan 8.300 nan 0.000 0.534 386 K N -0.764 119.640 120.400 0.006 0.000 2.057 386 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 386 K C 1.957 178.362 176.600 -0.326 0.000 1.049 386 K CA 1.731 57.655 56.287 -0.605 0.000 0.931 386 K CB -0.459 31.584 32.500 -0.761 0.000 0.714 386 K HN 0.230 nan 8.250 nan 0.000 0.440 387 Y N 1.274 121.634 120.300 0.101 0.000 2.220 387 Y HA -0.113 4.436 4.550 -0.000 0.000 0.291 387 Y C 2.178 178.176 175.900 0.165 0.000 1.129 387 Y CA 1.083 59.276 58.100 0.155 0.000 1.161 387 Y CB -0.147 38.423 38.460 0.184 0.000 0.997 387 Y HN -0.058 nan 8.280 nan 0.000 0.522 388 K N 0.033 120.609 120.400 0.293 0.000 2.057 388 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 388 K C 2.394 179.155 176.600 0.267 0.000 1.049 388 K CA 1.144 57.566 56.287 0.225 0.000 0.931 388 K CB -0.373 32.248 32.500 0.201 0.000 0.714 388 K HN 0.284 nan 8.250 nan 0.000 0.440 389 A N 1.744 124.682 122.820 0.197 0.000 1.902 389 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 389 A C 2.055 179.828 177.584 0.315 0.000 1.181 389 A CA 1.671 53.830 52.037 0.204 0.000 0.623 389 A CB -0.360 18.609 19.000 -0.052 0.000 0.818 389 A HN 0.221 nan 8.150 nan 0.000 0.443 390 K N -1.813 118.718 120.400 0.219 0.000 2.057 390 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 390 K C 1.908 178.678 176.600 0.284 0.000 1.049 390 K CA 1.668 58.092 56.287 0.228 0.000 0.931 390 K CB -0.390 32.206 32.500 0.161 0.000 0.714 390 K HN 0.523 nan 8.250 nan 0.000 0.440 391 Y N 1.221 121.642 120.300 0.201 0.000 2.165 391 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 391 Y C 1.765 177.773 175.900 0.179 0.000 1.155 391 Y CA 1.721 59.938 58.100 0.195 0.000 1.164 391 Y CB -0.054 38.496 38.460 0.150 0.000 0.978 391 Y HN 0.029 nan 8.280 nan 0.000 0.513 392 I N 0.087 120.886 120.570 0.382 0.000 2.286 392 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 392 I C 2.250 178.457 176.117 0.149 0.000 1.115 392 I CA 1.648 63.114 61.300 0.277 0.000 1.392 392 I CB -0.300 37.928 38.000 0.380 0.000 1.065 392 I HN 0.224 nan 8.210 nan 0.000 0.418 393 K N 0.184 120.702 120.400 0.197 0.000 2.044 393 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 393 K C 2.148 178.787 176.600 0.064 0.000 1.049 393 K CA 1.103 57.470 56.287 0.134 0.000 0.945 393 K CB -0.167 32.453 32.500 0.201 0.000 0.724 393 K HN 0.334 nan 8.250 nan 0.000 0.440 394 Q N 0.536 120.367 119.800 0.051 0.000 2.124 394 Q HA -0.141 4.198 4.340 -0.000 0.000 0.202 394 Q C 1.769 177.728 176.000 -0.068 0.000 0.977 394 Q CA 1.085 56.889 55.803 0.001 0.000 0.850 394 Q CB 0.117 28.859 28.738 0.006 0.000 0.901 394 Q HN 0.219 nan 8.270 nan 0.000 0.429 395 Q N 0.120 119.823 119.800 -0.163 0.000 2.403 395 Q HA 0.002 4.342 4.340 -0.000 0.000 0.203 395 Q C -0.235 175.728 176.000 -0.062 0.000 0.932 395 Q CA 0.264 55.957 55.803 -0.184 0.000 0.945 395 Q CB 0.543 29.035 28.738 -0.409 0.000 1.045 395 Q HN 0.414 nan 8.270 nan 0.000 0.511 396 Q N 0.384 120.170 119.800 -0.023 0.000 2.453 396 Q HA -0.195 4.145 4.340 -0.000 0.000 0.294 396 Q C -0.494 175.518 176.000 0.020 0.000 1.295 396 Q CA 0.305 56.111 55.803 0.004 0.000 0.853 396 Q CB -2.022 26.720 28.738 0.007 0.000 1.193 396 Q HN 0.375 nan 8.270 nan 0.000 0.461 397 L N -1.445 119.794 121.223 0.028 0.000 2.475 397 L HA 0.210 4.550 4.340 -0.000 0.000 0.253 397 L C 1.851 178.745 176.870 0.040 0.000 1.198 397 L CA 0.597 55.470 54.840 0.056 0.000 0.814 397 L CB 0.147 42.262 42.059 0.094 0.000 1.134 397 L HN 0.315 nan 8.230 nan 0.000 0.478 398 G N -0.457 108.392 108.800 0.081 0.000 2.448 398 G HA2 0.340 4.300 3.960 -0.000 0.000 0.218 398 G HA3 0.340 4.300 3.960 -0.000 0.000 0.218 398 G C 0.569 175.430 174.900 -0.064 0.000 1.135 398 G CA 0.766 45.934 45.100 0.113 0.000 0.784 398 G HN 0.944 nan 8.290 nan 0.000 0.543 399 G N -2.006 106.733 108.800 -0.103 0.000 2.398 399 G HA2 0.382 4.342 3.960 -0.000 0.000 0.251 399 G HA3 0.382 4.342 3.960 -0.000 0.000 0.251 399 G C -1.751 173.145 174.900 -0.007 0.000 1.277 399 G CA 0.180 45.167 45.100 -0.187 0.000 0.927 399 G HN 0.829 nan 8.290 nan 0.000 0.477 400 V N 1.139 121.092 119.914 0.065 0.000 2.962 400 V HA 0.890 5.010 4.120 -0.000 0.000 0.313 400 V C -0.711 175.440 176.094 0.095 0.000 1.099 400 V CA -0.703 61.689 62.300 0.152 0.000 0.971 400 V CB 1.847 33.832 31.823 0.271 0.000 1.028 400 V HN 1.179 nan 8.190 nan 0.000 0.430 401 M N 6.539 126.214 119.600 0.124 0.000 2.572 401 M HA 0.693 5.173 4.480 -0.000 0.000 0.299 401 M C -2.114 174.318 176.300 0.219 0.000 1.205 401 M CA -0.545 54.802 55.300 0.077 0.000 0.876 401 M CB 2.009 34.667 32.600 0.096 0.000 1.728 401 M HN 0.787 nan 8.290 nan 0.000 0.458 402 F N 1.728 121.706 119.950 0.047 0.000 2.631 402 F HA 0.768 5.295 4.527 -0.000 0.000 0.308 402 F C -2.175 173.646 175.800 0.035 0.000 1.097 402 F CA -1.096 56.835 58.000 -0.114 0.000 0.952 402 F CB 1.171 39.773 39.000 -0.665 0.000 1.307 402 F HN 0.695 nan 8.300 nan 0.000 0.450 403 W N 5.365 126.688 121.300 0.038 0.000 2.475 403 W HA 0.582 5.242 4.660 -0.000 0.000 0.320 403 W C -1.970 174.632 176.519 0.138 0.000 1.022 403 W CA -0.679 56.730 57.345 0.106 0.000 1.240 403 W CB 1.511 31.005 29.460 0.057 0.000 1.328 403 W HN 1.029 nan 8.180 nan 0.000 0.439 404 H N 1.993 120.908 119.070 -0.259 0.000 2.977 404 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 404 H C 0.462 175.681 175.328 -0.182 0.000 1.238 404 H CA -0.926 54.855 56.048 -0.444 0.000 1.124 404 H CB 1.140 30.169 29.762 -1.220 0.000 1.866 404 H HN 0.261 nan 8.280 nan 0.000 0.550 405 L N 0.427 121.700 121.223 0.083 0.000 2.081 405 L HA -0.103 4.236 4.340 -0.000 0.000 0.212 405 L C 2.381 178.846 176.870 -0.676 0.000 1.080 405 L CA 1.872 56.728 54.840 0.026 0.000 0.754 405 L CB -0.561 41.666 42.059 0.281 0.000 0.893 405 L HN 1.019 nan 8.230 nan 0.000 0.433 406 G N -1.417 106.886 108.800 -0.829 0.000 2.776 406 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.209 406 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.209 406 G C 1.347 175.933 174.900 -0.523 0.000 1.145 406 G CA 0.032 44.473 45.100 -1.099 0.000 0.791 406 G HN 0.443 nan 8.290 nan 0.000 0.530 407 Q N -0.416 119.093 119.800 -0.486 0.000 2.319 407 Q HA 0.101 4.441 4.340 -0.000 0.000 0.209 407 Q C 0.183 176.184 176.000 0.000 0.000 0.884 407 Q CA -0.445 55.221 55.803 -0.228 0.000 0.938 407 Q CB 0.578 29.167 28.738 -0.248 0.000 1.098 407 Q HN 0.263 nan 8.270 nan 0.000 0.517 408 D N 1.623 122.053 120.400 0.050 0.000 2.360 408 D HA -0.019 4.621 4.640 -0.000 0.000 0.242 408 D C -0.125 176.204 176.300 0.050 0.000 1.184 408 D CA -0.119 53.898 54.000 0.028 0.000 0.930 408 D CB 0.689 41.527 40.800 0.064 0.000 1.161 408 D HN 0.101 nan 8.370 nan 0.000 0.447 409 N N 1.142 119.902 118.700 0.100 0.000 2.317 409 N HA 0.026 4.766 4.740 -0.000 0.000 0.245 409 N C 0.883 176.439 175.510 0.078 0.000 1.294 409 N CA -0.210 52.885 53.050 0.075 0.000 0.924 409 N CB 0.352 38.888 38.487 0.081 0.000 1.186 409 N HN 0.196 nan 8.380 nan 0.000 0.495 410 R N -0.236 120.307 120.500 0.071 0.000 2.139 410 R HA -0.057 4.282 4.340 -0.000 0.000 0.243 410 R C 0.652 177.005 176.300 0.088 0.000 1.145 410 R CA 1.007 57.164 56.100 0.095 0.000 0.976 410 R CB -1.038 29.302 30.300 0.067 0.000 0.866 410 R HN 0.630 nan 8.270 nan 0.000 0.449 411 N N 0.002 118.738 118.700 0.059 0.000 2.461 411 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 411 N C 0.566 176.101 175.510 0.041 0.000 1.134 411 N CA 0.947 54.023 53.050 0.043 0.000 0.878 411 N CB 0.242 38.742 38.487 0.022 0.000 0.972 411 N HN 0.376 nan 8.380 nan 0.000 0.456 412 G N 1.494 110.328 108.800 0.056 0.000 2.273 412 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.280 412 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.280 412 G C 0.503 175.378 174.900 -0.043 0.000 1.047 412 G CA 0.452 45.578 45.100 0.043 0.000 0.869 412 G HN 0.229 nan 8.290 nan 0.000 0.502 413 D N -0.198 120.156 120.400 -0.077 0.000 2.144 413 D HA -0.061 4.579 4.640 -0.000 0.000 0.199 413 D C 2.740 178.877 176.300 -0.272 0.000 0.984 413 D CA 1.006 54.921 54.000 -0.141 0.000 0.834 413 D CB -0.022 40.721 40.800 -0.095 0.000 0.955 413 D HN 0.549 nan 8.370 nan 0.000 0.465 414 L N 0.143 121.102 121.223 -0.441 0.000 2.056 414 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 414 L C 2.427 179.091 176.870 -0.343 0.000 1.078 414 L CA 0.478 54.961 54.840 -0.594 0.000 0.749 414 L CB -0.406 40.856 42.059 -1.328 0.000 0.901 414 L HN 0.093 nan 8.230 nan 0.000 0.433 415 L N 0.581 121.662 121.223 -0.236 0.000 2.046 415 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 415 L C 2.615 179.415 176.870 -0.117 0.000 1.077 415 L CA 2.084 56.873 54.840 -0.085 0.000 0.747 415 L CB -0.799 41.298 42.059 0.064 0.000 0.896 415 L HN 0.134 nan 8.230 nan 0.000 0.432 416 A N -0.545 122.192 122.820 -0.138 0.000 1.972 416 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 416 A C 2.441 179.831 177.584 -0.322 0.000 1.169 416 A CA 1.705 53.643 52.037 -0.164 0.000 0.635 416 A CB -1.080 17.846 19.000 -0.123 0.000 0.810 416 A HN 0.609 nan 8.150 nan 0.000 0.446 417 A N -0.092 122.475 122.820 -0.421 0.000 1.873 417 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 417 A C 2.157 179.035 177.584 -1.178 0.000 1.186 417 A CA 1.432 52.979 52.037 -0.817 0.000 0.616 417 A CB -0.615 18.049 19.000 -0.559 0.000 0.823 417 A HN 0.462 nan 8.150 nan 0.000 0.442 418 L N -0.482 120.351 121.223 -0.650 0.000 2.012 418 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 418 L C 2.464 178.999 176.870 -0.559 0.000 1.073 418 L CA 1.966 56.436 54.840 -0.615 0.000 0.748 418 L CB -0.675 41.184 42.059 -0.334 0.000 0.891 418 L HN 0.532 nan 8.230 nan 0.000 0.431 419 D N 0.005 120.236 120.400 -0.282 0.000 2.117 419 D HA -0.252 4.388 4.640 -0.000 0.000 0.197 419 D C 2.304 178.506 176.300 -0.163 0.000 0.987 419 D CA 1.259 55.202 54.000 -0.095 0.000 0.829 419 D CB 0.023 40.807 40.800 -0.028 0.000 0.961 419 D HN 0.078 nan 8.370 nan 0.000 0.460 420 R N -1.191 119.098 120.500 -0.352 0.000 2.083 420 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 420 R C 1.927 178.047 176.300 -0.299 0.000 1.137 420 R CA 1.418 57.322 56.100 -0.327 0.000 0.951 420 R CB -0.443 29.574 30.300 -0.471 0.000 0.851 420 R HN 0.275 nan 8.270 nan 0.000 0.434 421 Y N -0.485 119.484 120.300 -0.552 0.000 2.352 421 Y HA -0.126 4.424 4.550 -0.000 0.000 0.292 421 Y C 1.913 177.739 175.900 -0.124 0.000 1.136 421 Y CA 0.591 58.327 58.100 -0.607 0.000 1.227 421 Y CB -0.464 37.596 38.460 -0.666 0.000 0.991 421 Y HN 0.058 nan 8.280 nan 0.000 0.545 422 F N -0.560 119.458 119.950 0.113 0.000 2.317 422 F HA 0.032 4.559 4.527 -0.000 0.000 0.293 422 F C 1.420 177.283 175.800 0.105 0.000 1.085 422 F CA 0.765 58.834 58.000 0.115 0.000 1.390 422 F CB -0.754 38.292 39.000 0.076 0.000 1.077 422 F HN 0.045 nan 8.300 nan 0.000 0.517 423 N N -0.917 117.940 118.700 0.262 0.000 2.210 423 N HA 0.285 5.025 4.740 -0.000 0.000 0.203 423 N C 0.278 175.871 175.510 0.139 0.000 1.175 423 N CA 0.115 53.273 53.050 0.181 0.000 0.894 423 N CB 0.432 39.008 38.487 0.148 0.000 1.041 423 N HN -0.001 nan 8.380 nan 0.000 0.506 424 A N 0.895 123.795 122.820 0.133 0.000 2.454 424 A HA 0.539 4.859 4.320 -0.000 0.000 0.260 424 A C 1.359 179.037 177.584 0.156 0.000 1.106 424 A CA -0.065 52.048 52.037 0.127 0.000 0.780 424 A CB 0.212 19.284 19.000 0.119 0.000 1.044 424 A HN 0.321 nan 8.150 nan 0.000 0.498 425 A N 2.285 125.172 122.820 0.112 0.000 2.067 425 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 425 A C 1.168 178.808 177.584 0.094 0.000 1.158 425 A CA 1.633 53.728 52.037 0.096 0.000 0.661 425 A CB -0.283 18.758 19.000 0.069 0.000 0.801 425 A HN 0.841 nan 8.150 nan 0.000 0.452 426 D N -2.765 117.700 120.400 0.108 0.000 2.388 426 D HA 0.117 4.757 4.640 -0.000 0.000 0.221 426 D C -0.118 176.261 176.300 0.132 0.000 1.133 426 D CA -0.395 53.662 54.000 0.094 0.000 0.831 426 D CB -0.561 40.284 40.800 0.074 0.000 0.962 426 D HN 0.401 nan 8.370 nan 0.000 0.502 427 Y N 1.355 121.686 120.300 0.051 0.000 2.331 427 Y HA 0.451 5.001 4.550 -0.000 0.000 0.338 427 Y C -1.386 174.540 175.900 0.044 0.000 0.992 427 Y CA -1.392 56.743 58.100 0.060 0.000 1.121 427 Y CB 1.460 39.986 38.460 0.111 0.000 1.184 427 Y HN -0.201 nan 8.280 nan 0.000 0.469 428 D N 4.698 124.720 120.400 -0.630 0.000 2.505 428 D HA 0.167 4.807 4.640 -0.000 0.000 0.250 428 D C -0.794 175.129 176.300 -0.628 0.000 1.164 428 D CA -0.613 53.117 54.000 -0.450 0.000 0.870 428 D CB 0.966 41.638 40.800 -0.213 0.000 1.160 428 D HN 0.703 nan 8.370 nan 0.000 0.549 429 D N 1.296 121.391 120.400 -0.509 0.000 2.424 429 D HA -0.015 4.625 4.640 -0.000 0.000 0.220 429 D C 1.249 177.462 176.300 -0.145 0.000 1.150 429 D CA -0.036 53.754 54.000 -0.350 0.000 0.831 429 D CB -0.018 40.662 40.800 -0.199 0.000 0.981 429 D HN 0.190 nan 8.370 nan 0.000 0.500 430 S N 0.297 115.927 115.700 -0.116 0.000 2.419 430 S HA -0.265 4.205 4.470 -0.000 0.000 0.235 430 S C 1.585 176.164 174.600 -0.035 0.000 1.019 430 S CA 0.901 59.072 58.200 -0.049 0.000 0.982 430 S CB -0.500 62.675 63.200 -0.041 0.000 0.789 430 S HN 0.378 nan 8.310 nan 0.000 0.490 431 Q N 0.113 119.877 119.800 -0.059 0.000 2.282 431 Q HA 0.373 4.713 4.340 -0.000 0.000 0.206 431 Q C -0.300 175.691 176.000 -0.015 0.000 0.878 431 Q CA -0.411 55.374 55.803 -0.030 0.000 0.944 431 Q CB 0.076 28.792 28.738 -0.037 0.000 1.100 431 Q HN 0.463 nan 8.270 nan 0.000 0.509 432 L N 2.686 123.886 121.223 -0.038 0.000 2.534 432 L HA 0.008 4.348 4.340 -0.000 0.000 0.271 432 L C -0.354 176.580 176.870 0.106 0.000 1.178 432 L CA 0.480 55.311 54.840 -0.015 0.000 0.907 432 L CB 0.347 42.333 42.059 -0.121 0.000 1.164 432 L HN -0.047 nan 8.230 nan 0.000 0.482 433 D N 4.686 125.193 120.400 0.179 0.000 2.325 433 D HA 0.101 4.741 4.640 -0.000 0.000 0.251 433 D C 0.956 177.464 176.300 0.346 0.000 1.196 433 D CA -0.258 53.867 54.000 0.209 0.000 0.866 433 D CB 0.854 41.748 40.800 0.158 0.000 1.101 433 D HN 0.503 nan 8.370 nan 0.000 0.476 434 M N 2.765 122.542 119.600 0.296 0.000 2.630 434 M HA 0.180 4.660 4.480 -0.000 0.000 0.254 434 M C 1.222 177.651 176.300 0.215 0.000 1.092 434 M CA 0.675 56.200 55.300 0.375 0.000 1.087 434 M CB -1.547 31.267 32.600 0.357 0.000 1.453 434 M HN 0.668 nan 8.290 nan 0.000 0.509 435 G N 0.657 109.528 108.800 0.119 0.000 2.725 435 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 435 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 435 G C 0.267 175.138 174.900 -0.048 0.000 1.357 435 G CA 0.145 45.270 45.100 0.041 0.000 0.866 435 G HN 0.398 nan 8.290 nan 0.000 0.548 436 T N -1.663 112.863 114.554 -0.047 0.000 3.085 436 T HA 0.585 4.935 4.350 -0.000 0.000 0.264 436 T C 1.371 176.017 174.700 -0.090 0.000 1.019 436 T CA 1.163 63.218 62.100 -0.075 0.000 0.910 436 T CB 0.385 69.234 68.868 -0.031 0.000 1.059 436 T HN 2.049 nan 8.240 nan 0.000 0.542 437 G N 1.827 110.578 108.800 -0.083 0.000 2.630 437 G HA2 0.424 4.384 3.960 -0.000 0.000 0.236 437 G HA3 0.424 4.384 3.960 -0.000 0.000 0.236 437 G C -0.032 174.831 174.900 -0.062 0.000 1.248 437 G CA -0.689 44.403 45.100 -0.013 0.000 0.844 437 G HN 0.595 nan 8.290 nan 0.000 0.588 438 L N 1.088 122.331 121.223 0.032 0.000 2.462 438 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 438 L C 0.817 177.763 176.870 0.128 0.000 1.166 438 L CA -0.368 54.498 54.840 0.044 0.000 0.880 438 L CB 0.266 42.364 42.059 0.066 0.000 1.142 438 L HN 0.371 nan 8.230 nan 0.000 0.473 439 R N 1.977 122.515 120.500 0.063 0.000 2.457 439 R HA 0.255 4.595 4.340 -0.000 0.000 0.284 439 R C -0.788 175.653 176.300 0.233 0.000 1.024 439 R CA -0.579 55.633 56.100 0.187 0.000 1.025 439 R CB 0.541 30.884 30.300 0.072 0.000 1.063 439 R HN 0.316 nan 8.270 nan 0.000 0.493 440 Y N 1.165 121.592 120.300 0.211 0.000 2.436 440 Y HA 0.063 4.612 4.550 -0.000 0.000 0.336 440 Y C 0.869 176.834 175.900 0.108 0.000 1.049 440 Y CA 0.382 58.583 58.100 0.168 0.000 1.294 440 Y CB 0.810 39.382 38.460 0.187 0.000 1.179 440 Y HN 0.742 nan 8.280 nan 0.000 0.520 441 T N 1.596 115.973 114.554 -0.296 0.000 3.105 441 T HA 0.288 4.638 4.350 -0.000 0.000 0.253 441 T C 0.906 175.466 174.700 -0.234 0.000 1.047 441 T CA 0.044 62.038 62.100 -0.176 0.000 0.944 441 T CB -0.356 68.430 68.868 -0.135 0.000 1.016 441 T HN 0.798 nan 8.240 nan 0.000 0.544 442 G N 1.154 109.678 108.800 -0.460 0.000 2.474 442 G HA2 0.430 4.390 3.960 -0.000 0.000 0.233 442 G HA3 0.430 4.390 3.960 -0.000 0.000 0.233 442 G C -0.644 174.222 174.900 -0.057 0.000 1.278 442 G CA -0.215 44.742 45.100 -0.239 0.000 0.861 442 G HN 0.403 nan 8.290 nan 0.000 0.567 443 V N 1.649 121.488 119.914 -0.125 0.000 2.531 443 V HA 0.801 4.921 4.120 -0.000 0.000 0.301 443 V C 0.748 176.743 176.094 -0.166 0.000 1.034 443 V CA 0.078 62.317 62.300 -0.102 0.000 0.865 443 V CB 1.389 33.142 31.823 -0.116 0.000 0.995 443 V HN 1.140 nan 8.190 nan 0.000 0.424 444 G N 3.874 112.602 108.800 -0.119 0.000 3.140 444 G HA2 0.634 4.594 3.960 -0.000 0.000 0.271 444 G HA3 0.634 4.594 3.960 -0.000 0.000 0.271 444 G C -2.417 172.358 174.900 -0.208 0.000 1.370 444 G CA -1.303 43.683 45.100 -0.189 0.000 1.014 444 G HN 0.472 nan 8.290 nan 0.000 0.541 445 P HA 0.002 nan 4.420 nan 0.000 0.218 445 P C 1.730 178.985 177.300 -0.076 0.000 1.148 445 P CA 1.559 64.526 63.100 -0.221 0.000 0.822 445 P CB 0.193 31.757 31.700 -0.227 0.000 0.784 446 G N -0.583 108.209 108.800 -0.013 0.000 2.712 446 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.212 446 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.212 446 G C 0.616 175.531 174.900 0.025 0.000 1.142 446 G CA 0.137 45.252 45.100 0.025 0.000 0.789 446 G HN 0.510 nan 8.290 nan 0.000 0.535 447 N N -0.884 117.822 118.700 0.009 0.000 2.588 447 N HA 0.314 5.054 4.740 -0.000 0.000 0.298 447 N C -0.274 175.227 175.510 -0.015 0.000 1.718 447 N CA -0.520 52.538 53.050 0.013 0.000 0.888 447 N CB 0.214 38.729 38.487 0.046 0.000 1.389 447 N HN -0.023 nan 8.380 nan 0.000 0.491 448 L N 1.407 122.609 121.223 -0.034 0.000 2.416 448 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 448 L C -1.724 175.124 176.870 -0.038 0.000 1.161 448 L CA -1.660 53.148 54.840 -0.053 0.000 0.845 448 L CB 0.375 42.400 42.059 -0.058 0.000 1.119 448 L HN 0.181 nan 8.230 nan 0.000 0.464 449 P HA 0.117 nan 4.420 nan 0.000 0.274 449 P C -0.525 176.752 177.300 -0.038 0.000 1.231 449 P CA -0.480 62.601 63.100 -0.032 0.000 0.790 449 P CB 0.900 32.583 31.700 -0.028 0.000 0.951 450 I N 2.908 123.457 120.570 -0.034 0.000 2.648 450 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 450 I C 0.999 177.096 176.117 -0.033 0.000 1.153 450 I CA 0.793 62.069 61.300 -0.041 0.000 1.426 450 I CB -0.620 37.359 38.000 -0.035 0.000 1.381 450 I HN 0.437 nan 8.210 nan 0.000 0.571 451 M N 4.421 124.000 119.600 -0.036 0.000 2.683 451 M HA 0.385 4.865 4.480 -0.000 0.000 0.274 451 M C -0.698 175.594 176.300 -0.014 0.000 1.272 451 M CA -0.652 54.636 55.300 -0.020 0.000 0.833 451 M CB 2.937 35.527 32.600 -0.017 0.000 1.708 451 M HN 0.645 nan 8.290 nan 0.000 0.463 452 T N -0.726 113.830 114.554 0.003 0.000 2.893 452 T HA 0.967 5.317 4.350 -0.000 0.000 0.293 452 T C -1.098 173.622 174.700 0.033 0.000 1.027 452 T CA -0.812 61.296 62.100 0.013 0.000 0.988 452 T CB 2.101 70.975 68.868 0.011 0.000 1.043 452 T HN 0.949 nan 8.240 nan 0.000 0.461 453 A N 2.500 125.349 122.820 0.047 0.000 2.605 453 A HA 0.818 5.138 4.320 -0.000 0.000 0.294 453 A C -3.248 174.382 177.584 0.077 0.000 1.062 453 A CA -1.573 50.505 52.037 0.069 0.000 0.682 453 A CB 0.624 19.677 19.000 0.090 0.000 1.278 453 A HN 0.660 nan 8.150 nan 0.000 0.410 454 P HA 0.375 nan 4.420 nan 0.000 0.267 454 P C 0.103 177.464 177.300 0.103 0.000 1.200 454 P CA 0.314 63.466 63.100 0.086 0.000 0.772 454 P CB 0.630 32.388 31.700 0.098 0.000 0.855 455 A N 2.995 125.873 122.820 0.096 0.000 2.498 455 A HA 0.085 4.405 4.320 -0.000 0.000 0.239 455 A C -0.288 177.375 177.584 0.132 0.000 1.068 455 A CA -0.069 52.043 52.037 0.125 0.000 0.766 455 A CB -0.618 18.445 19.000 0.106 0.000 1.003 455 A HN 0.582 nan 8.150 nan 0.000 0.497 456 Y N 2.455 122.763 120.300 0.014 0.000 2.610 456 Y HA 0.351 4.901 4.550 -0.000 0.000 0.332 456 Y C -0.210 175.693 175.900 0.005 0.000 1.201 456 Y CA 0.337 58.377 58.100 -0.101 0.000 1.465 456 Y CB 0.551 38.704 38.460 -0.511 0.000 1.283 456 Y HN 0.364 nan 8.280 nan 0.000 0.563 457 V N 9.252 128.752 119.914 -0.690 0.000 2.326 457 V HA 0.287 4.407 4.120 -0.000 0.000 0.281 457 V C -2.216 173.418 176.094 -0.767 0.000 1.015 457 V CA -2.175 59.810 62.300 -0.525 0.000 0.823 457 V CB 1.119 32.801 31.823 -0.235 0.000 1.009 457 V HN 0.752 nan 8.190 nan 0.000 0.436 458 P HA 0.189 nan 4.420 nan 0.000 0.261 458 P C 1.022 178.236 177.300 -0.143 0.000 1.183 458 P CA 1.465 64.443 63.100 -0.204 0.000 0.761 458 P CB 0.512 32.211 31.700 -0.003 0.000 0.785 459 G N 1.612 110.370 108.800 -0.070 0.000 2.195 459 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.224 459 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.224 459 G C 0.315 175.161 174.900 -0.090 0.000 0.990 459 G CA -0.096 44.974 45.100 -0.049 0.000 0.639 459 G HN 0.576 nan 8.290 nan 0.000 0.514 460 T N 1.908 116.355 114.554 -0.178 0.000 2.909 460 T HA 0.562 4.912 4.350 -0.000 0.000 0.289 460 T C 0.163 174.710 174.700 -0.255 0.000 1.005 460 T CA 0.625 62.539 62.100 -0.311 0.000 1.084 460 T CB 1.556 70.079 68.868 -0.575 0.000 0.975 460 T HN 0.206 nan 8.240 nan 0.000 0.509 461 T N 3.255 117.633 114.554 -0.294 0.000 2.770 461 T HA 0.470 4.820 4.350 -0.000 0.000 0.283 461 T C -0.917 173.631 174.700 -0.254 0.000 0.988 461 T CA -0.406 61.624 62.100 -0.117 0.000 0.957 461 T CB 0.156 69.021 68.868 -0.005 0.000 0.930 461 T HN 0.396 nan 8.240 nan 0.000 0.443 462 Y N 1.209 121.513 120.300 0.006 0.000 2.420 462 Y HA 0.641 5.191 4.550 -0.000 0.000 0.334 462 Y C 0.696 176.480 175.900 -0.194 0.000 1.094 462 Y CA -1.167 56.899 58.100 -0.057 0.000 1.126 462 Y CB 1.089 39.558 38.460 0.014 0.000 1.217 462 Y HN 0.771 nan 8.280 nan 0.000 0.462 463 A N 1.823 124.617 122.820 -0.044 0.000 2.259 463 A HA 0.268 4.588 4.320 -0.000 0.000 0.278 463 A C -0.223 177.265 177.584 -0.160 0.000 1.107 463 A CA -0.735 51.190 52.037 -0.187 0.000 0.828 463 A CB 0.319 19.224 19.000 -0.158 0.000 1.111 463 A HN 0.796 nan 8.150 nan 0.000 0.498 464 Q N -0.593 119.109 119.800 -0.162 0.000 2.337 464 Q HA 0.381 4.721 4.340 -0.000 0.000 0.270 464 Q C 0.968 176.910 176.000 -0.096 0.000 1.002 464 Q CA 0.998 56.721 55.803 -0.134 0.000 0.888 464 Q CB 0.222 28.926 28.738 -0.056 0.000 1.222 464 Q HN 1.850 nan 8.270 nan 0.000 0.400 465 G N 2.038 110.772 108.800 -0.109 0.000 2.179 465 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 465 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 465 G C 0.157 175.048 174.900 -0.014 0.000 0.977 465 G CA 0.039 45.109 45.100 -0.050 0.000 0.641 465 G HN 1.018 nan 8.290 nan 0.000 0.533 466 A N -0.129 122.678 122.820 -0.022 0.000 2.407 466 A HA 0.704 5.024 4.320 -0.000 0.000 0.248 466 A C 0.345 178.008 177.584 0.132 0.000 1.082 466 A CA 0.294 52.377 52.037 0.076 0.000 0.785 466 A CB 0.378 19.480 19.000 0.170 0.000 1.020 466 A HN 0.936 nan 8.150 nan 0.000 0.489 467 L N 2.276 123.592 121.223 0.155 0.000 2.329 467 L HA 0.722 5.062 4.340 -0.000 0.000 0.279 467 L C -0.222 176.741 176.870 0.155 0.000 1.014 467 L CA -0.761 54.183 54.840 0.174 0.000 0.814 467 L CB 1.859 43.987 42.059 0.116 0.000 1.257 467 L HN 0.698 nan 8.230 nan 0.000 0.424 468 V N -0.730 119.271 119.914 0.144 0.000 3.147 468 V HA 0.799 4.919 4.120 -0.000 0.000 0.306 468 V C -0.460 175.725 176.094 0.151 0.000 1.209 468 V CA -0.679 61.665 62.300 0.073 0.000 1.023 468 V CB 1.993 33.735 31.823 -0.135 0.000 1.059 468 V HN 0.764 nan 8.190 nan 0.000 0.435 469 S N 2.017 117.814 115.700 0.163 0.000 2.509 469 S HA 0.881 5.351 4.470 -0.000 0.000 0.297 469 S C -1.130 173.653 174.600 0.304 0.000 1.118 469 S CA -0.532 57.803 58.200 0.226 0.000 1.074 469 S CB 1.444 64.724 63.200 0.133 0.000 1.038 469 S HN 1.738 nan 8.310 nan 0.000 0.498 470 Y N 1.112 121.534 120.300 0.203 0.000 2.474 470 Y HA 0.261 4.811 4.550 -0.000 0.000 0.326 470 Y C -0.307 175.749 175.900 0.261 0.000 1.160 470 Y CA -0.635 57.512 58.100 0.077 0.000 1.056 470 Y CB 1.234 39.489 38.460 -0.341 0.000 1.330 470 Y HN 0.972 nan 8.280 nan 0.000 0.447 471 Q N 3.763 123.390 119.800 -0.289 0.000 2.461 471 Q HA -0.268 4.072 4.340 -0.000 0.000 0.273 471 Q C 1.046 177.089 176.000 0.072 0.000 1.163 471 Q CA 1.493 57.208 55.803 -0.147 0.000 0.929 471 Q CB -1.629 27.036 28.738 -0.122 0.000 1.334 471 Q HN 1.602 nan 8.270 nan 0.000 0.499 472 G N -2.184 106.608 108.800 -0.013 0.000 2.175 472 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.244 472 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.244 472 G C -0.223 174.409 174.900 -0.447 0.000 0.982 472 G CA 0.397 45.359 45.100 -0.230 0.000 0.641 472 G HN 0.374 nan 8.290 nan 0.000 0.527 473 Y N -1.178 119.131 120.300 0.014 0.000 2.630 473 Y HA 0.682 5.232 4.550 -0.000 0.000 0.337 473 Y C 0.376 176.206 175.900 -0.116 0.000 1.051 473 Y CA -1.236 56.752 58.100 -0.186 0.000 1.121 473 Y CB 2.018 40.138 38.460 -0.567 0.000 1.299 473 Y HN 0.065 nan 8.280 nan 0.000 0.498 474 V N 1.196 121.069 119.914 -0.068 0.000 2.398 474 V HA 0.295 4.415 4.120 -0.000 0.000 0.286 474 V C -1.267 174.770 176.094 -0.096 0.000 1.026 474 V CA -0.852 61.465 62.300 0.028 0.000 0.868 474 V CB 0.541 32.371 31.823 0.012 0.000 0.982 474 V HN 0.622 nan 8.190 nan 0.000 0.443 475 W N 2.723 124.031 121.300 0.013 0.000 2.761 475 W HA 0.730 5.390 4.660 -0.000 0.000 0.340 475 W C -0.125 176.515 176.519 0.202 0.000 1.072 475 W CA -0.616 56.765 57.345 0.060 0.000 1.215 475 W CB 1.341 30.763 29.460 -0.063 0.000 1.420 475 W HN 0.437 nan 8.180 nan 0.000 0.519 476 Q N 1.170 121.235 119.800 0.442 0.000 2.375 476 Q HA 0.490 4.830 4.340 -0.000 0.000 0.271 476 Q C -0.249 175.786 176.000 0.058 0.000 1.074 476 Q CA -0.622 55.329 55.803 0.247 0.000 0.808 476 Q CB 2.004 30.798 28.738 0.094 0.000 1.327 476 Q HN 0.554 nan 8.270 nan 0.000 0.441 477 T N 0.478 114.859 114.554 -0.287 0.000 2.884 477 T HA 0.273 4.623 4.350 -0.000 0.000 0.298 477 T C 0.485 174.926 174.700 -0.432 0.000 0.998 477 T CA -0.422 61.259 62.100 -0.699 0.000 1.124 477 T CB 1.054 69.376 68.868 -0.910 0.000 0.931 477 T HN 0.704 nan 8.240 nan 0.000 0.531 478 K N 1.647 121.716 120.400 -0.551 0.000 2.361 478 K HA 0.196 4.516 4.320 -0.000 0.000 0.196 478 K C 0.019 176.598 176.600 -0.034 0.000 1.039 478 K CA 0.254 56.384 56.287 -0.261 0.000 1.001 478 K CB 0.147 32.517 32.500 -0.217 0.000 0.795 478 K HN 0.854 nan 8.250 nan 0.000 0.495 479 W N -1.225 119.996 121.300 -0.133 0.000 2.940 479 W HA 0.610 5.270 4.660 -0.000 0.000 0.394 479 W C -0.349 176.090 176.519 -0.133 0.000 1.155 479 W CA -1.403 55.884 57.345 -0.097 0.000 1.165 479 W CB -0.127 29.300 29.460 -0.055 0.000 1.492 479 W HN -0.184 nan 8.180 nan 0.000 0.593 480 G N -1.090 107.849 108.800 0.232 0.000 2.522 480 G HA2 0.482 4.442 3.960 -0.000 0.000 0.304 480 G HA3 0.482 4.442 3.960 -0.000 0.000 0.304 480 G C -1.301 173.680 174.900 0.135 0.000 1.210 480 G CA -0.856 44.242 45.100 -0.003 0.000 0.960 480 G HN 0.988 nan 8.290 nan 0.000 0.497 481 Y N -2.139 118.197 120.300 0.059 0.000 3.057 481 Y HA -0.158 4.392 4.550 -0.000 0.000 0.192 481 Y C 0.327 176.267 175.900 0.066 0.000 1.448 481 Y CA -0.347 57.790 58.100 0.063 0.000 1.065 481 Y CB -1.677 36.827 38.460 0.073 0.000 1.369 481 Y HN 0.207 nan 8.280 nan 0.000 0.460 482 I N 1.160 121.767 120.570 0.062 0.000 2.337 482 I HA 0.124 4.294 4.170 -0.000 0.000 0.291 482 I C 1.343 177.585 176.117 0.208 0.000 1.046 482 I CA 0.272 61.589 61.300 0.029 0.000 1.324 482 I CB 0.979 38.788 38.000 -0.319 0.000 1.409 482 I HN 0.447 nan 8.210 nan 0.000 0.494 483 T N 0.539 115.218 114.554 0.208 0.000 3.085 483 T HA 0.204 4.553 4.350 -0.000 0.000 0.264 483 T C 0.689 175.543 174.700 0.256 0.000 1.019 483 T CA -0.262 61.972 62.100 0.222 0.000 0.910 483 T CB 0.367 69.327 68.868 0.153 0.000 1.059 483 T HN 0.406 nan 8.240 nan 0.000 0.542 484 S N 0.196 116.070 115.700 0.291 0.000 2.751 484 S HA 0.825 5.295 4.470 -0.000 0.000 0.310 484 S C -0.478 174.233 174.600 0.184 0.000 1.128 484 S CA -0.526 57.811 58.200 0.228 0.000 0.931 484 S CB 1.336 64.612 63.200 0.126 0.000 1.177 484 S HN 0.650 nan 8.310 nan 0.000 0.530 485 A N 2.032 124.710 122.820 -0.237 0.000 2.302 485 A HA 0.682 5.002 4.320 -0.000 0.000 0.285 485 A C -2.711 174.170 177.584 -1.171 0.000 1.105 485 A CA -1.542 49.798 52.037 -1.163 0.000 0.816 485 A CB -0.415 17.896 19.000 -1.148 0.000 1.067 485 A HN 0.558 nan 8.150 nan 0.000 0.489 486 P HA 0.260 nan 4.420 nan 0.000 0.265 486 P C 1.052 177.655 177.300 -1.161 0.000 1.193 486 P CA 2.049 63.972 63.100 -1.961 0.000 0.765 486 P CB 0.769 30.744 31.700 -2.876 0.000 0.823 487 G N 2.090 110.430 108.800 -0.767 0.000 2.268 487 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.240 487 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.240 487 G C 1.190 176.002 174.900 -0.147 0.000 1.010 487 G CA 0.556 45.463 45.100 -0.322 0.000 0.618 487 G HN 0.487 nan 8.290 nan 0.000 0.516 488 S N -0.298 115.297 115.700 -0.175 0.000 2.506 488 S HA 0.275 4.745 4.470 -0.000 0.000 0.219 488 S C 0.094 174.689 174.600 -0.010 0.000 1.031 488 S CA 0.479 58.638 58.200 -0.069 0.000 0.911 488 S CB 0.646 63.799 63.200 -0.078 0.000 0.812 488 S HN 0.528 nan 8.310 nan 0.000 0.497 489 D N 1.628 122.029 120.400 0.002 0.000 2.440 489 D HA 0.241 4.881 4.640 -0.000 0.000 0.239 489 D C 0.584 176.952 176.300 0.114 0.000 1.084 489 D CA -0.177 53.883 54.000 0.099 0.000 0.843 489 D CB 1.593 42.497 40.800 0.174 0.000 1.097 489 D HN 0.109 nan 8.370 nan 0.000 0.531 490 S N 2.252 118.019 115.700 0.112 0.000 2.723 490 S HA 0.007 4.477 4.470 -0.000 0.000 0.231 490 S C 1.404 175.990 174.600 -0.024 0.000 0.967 490 S CA 0.450 58.720 58.200 0.117 0.000 0.958 490 S CB -0.071 63.240 63.200 0.185 0.000 0.778 490 S HN 0.401 nan 8.310 nan 0.000 0.537 491 A N -0.090 122.553 122.820 -0.295 0.000 2.178 491 A HA 0.323 4.643 4.320 -0.000 0.000 0.211 491 A C 0.175 177.260 177.584 -0.832 0.000 1.157 491 A CA -0.424 50.939 52.037 -1.122 0.000 0.780 491 A CB -0.302 17.887 19.000 -1.350 0.000 0.828 491 A HN 0.706 nan 8.150 nan 0.000 0.476 492 W N -0.690 120.416 121.300 -0.324 0.000 2.390 492 W HA 0.568 5.228 4.660 -0.000 0.000 0.312 492 W C -0.429 176.121 176.519 0.053 0.000 1.123 492 W CA -0.800 56.453 57.345 -0.152 0.000 1.202 492 W CB 1.107 30.448 29.460 -0.199 0.000 1.251 492 W HN 0.075 nan 8.180 nan 0.000 0.511 493 L N 4.328 125.737 121.223 0.311 0.000 2.313 493 L HA 0.422 4.762 4.340 -0.000 0.000 0.283 493 L C 0.018 176.965 176.870 0.128 0.000 1.013 493 L CA -1.132 53.811 54.840 0.172 0.000 0.816 493 L CB 0.954 43.039 42.059 0.043 0.000 1.236 493 L HN 0.345 nan 8.230 nan 0.000 0.419 494 K N 3.860 124.158 120.400 -0.170 0.000 2.383 494 K HA 0.276 4.596 4.320 -0.000 0.000 0.286 494 K C 0.469 176.841 176.600 -0.380 0.000 1.051 494 K CA 0.319 56.193 56.287 -0.689 0.000 0.974 494 K CB 0.591 32.414 32.500 -1.128 0.000 0.968 494 K HN 0.683 nan 8.250 nan 0.000 0.475 495 V N 0.696 120.445 119.914 -0.275 0.000 3.548 495 V HA 0.451 4.571 4.120 -0.000 0.000 0.279 495 V C 0.441 176.457 176.094 -0.130 0.000 1.446 495 V CA 0.348 62.551 62.300 -0.161 0.000 1.023 495 V CB 0.443 32.222 31.823 -0.074 0.000 0.820 495 V HN 0.697 nan 8.190 nan 0.000 0.438 496 G N 0.885 109.602 108.800 -0.139 0.000 2.682 496 G HA2 0.732 4.692 3.960 -0.000 0.000 0.290 496 G HA3 0.732 4.692 3.960 -0.000 0.000 0.290 496 G C -1.285 173.577 174.900 -0.064 0.000 1.425 496 G CA -0.844 44.206 45.100 -0.083 0.000 0.807 496 G HN 0.612 nan 8.290 nan 0.000 0.482 497 R N -1.174 119.282 120.500 -0.074 0.000 2.867 497 R HA 0.828 5.168 4.340 -0.000 0.000 0.268 497 R C 0.175 176.378 176.300 -0.162 0.000 1.014 497 R CA -0.196 55.810 56.100 -0.157 0.000 0.946 497 R CB 1.643 31.848 30.300 -0.158 0.000 1.208 497 R HN 1.248 nan 8.270 nan 0.000 0.477 498 V N -1.708 118.063 119.914 -0.238 0.000 0.508 498 V HA -0.363 3.757 4.120 -0.000 0.000 0.092 498 V C 0.150 176.177 176.094 -0.112 0.000 2.282 498 V CA 2.609 64.811 62.300 -0.164 0.000 3.591 498 V CB -1.557 30.203 31.823 -0.105 0.000 0.878 498 V HN 1.407 nan 8.190 nan 0.000 0.919 499 A N 0.000 122.776 122.820 -0.074 0.000 2.254 499 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 499 A CA 0.000 nan 52.037 nan 0.000 0.836 499 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486