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 5cox_1_A DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.637 177.584 0.088 0.000 1.274 33 A CA 0.000 52.079 52.037 0.070 0.000 0.836 33 A CB 0.000 19.050 19.000 0.083 0.000 0.831 34 N N 2.724 121.473 118.700 0.082 0.000 2.365 34 N HA 0.106 4.848 4.740 0.003 0.000 0.265 34 N C -0.878 174.673 175.510 0.069 0.000 1.288 34 N CA -0.465 52.636 53.050 0.086 0.000 0.869 34 N CB 0.863 39.390 38.487 0.066 0.000 1.071 34 N HN 0.230 nan 8.380 nan 0.000 0.480 35 P HA -0.175 nan 4.420 nan 0.000 0.217 35 P C 0.853 178.141 177.300 -0.020 0.000 1.148 35 P CA 1.105 64.271 63.100 0.111 0.000 0.828 35 P CB -0.055 31.792 31.700 0.245 0.000 0.783 36 c N -1.044 117.549 118.600 -0.010 0.000 2.437 36 c HA -0.065 4.507 4.570 0.003 0.000 0.283 36 c C 3.037 177.049 174.090 -0.130 0.000 1.424 36 c CA 0.209 56.468 56.329 -0.117 0.000 1.782 36 c CB -2.225 40.271 42.510 -0.024 0.000 1.833 36 c HN 0.359 nan 8.230 nan 0.000 0.532 37 c N 1.581 120.140 118.600 -0.068 0.000 2.369 37 c HA -0.196 4.376 4.570 0.003 0.000 0.273 37 c C 2.799 176.839 174.090 -0.083 0.000 1.172 37 c CA 2.270 58.566 56.329 -0.055 0.000 1.791 37 c CB -1.431 41.067 42.510 -0.021 0.000 2.086 37 c HN 0.810 nan 8.230 nan 0.000 0.459 38 S N 0.056 115.686 115.700 -0.116 0.000 2.720 38 S HA 0.018 4.490 4.470 0.003 0.000 0.222 38 S C 0.383 174.890 174.600 -0.155 0.000 0.958 38 S CA 0.420 58.548 58.200 -0.119 0.000 0.943 38 S CB -1.094 62.038 63.200 -0.113 0.000 0.779 38 S HN 0.767 nan 8.310 nan 0.000 0.526 39 N N 1.295 119.890 118.700 -0.175 0.000 2.716 39 N HA -0.120 4.622 4.740 0.003 0.000 0.250 39 N C -2.129 173.261 175.510 -0.200 0.000 1.033 39 N CA 0.624 53.568 53.050 -0.177 0.000 0.727 39 N CB -1.121 37.283 38.487 -0.139 0.000 0.950 39 N HN 0.466 nan 8.380 nan 0.000 0.541 40 P HA -0.091 nan 4.420 nan 0.000 0.216 40 P C 0.329 177.556 177.300 -0.121 0.000 1.150 40 P CA 0.981 63.904 63.100 -0.296 0.000 0.843 40 P CB 0.124 31.344 31.700 -0.800 0.000 0.787 41 c N 1.413 119.955 118.600 -0.097 0.000 2.573 41 c HA 0.232 4.804 4.570 0.003 0.000 0.369 41 c C 0.980 175.036 174.090 -0.056 0.000 1.205 41 c CA -0.541 55.782 56.329 -0.010 0.000 1.535 41 c CB -2.364 40.169 42.510 0.039 0.000 2.159 41 c HN 0.235 nan 8.230 nan 0.000 0.558 42 Q N 1.692 121.453 119.800 -0.064 0.000 2.414 42 Q HA 0.204 4.546 4.340 0.003 0.000 0.206 42 Q C 1.028 176.933 176.000 -0.158 0.000 1.058 42 Q CA 0.402 56.132 55.803 -0.122 0.000 1.025 42 Q CB 0.270 28.925 28.738 -0.139 0.000 1.196 42 Q HN 0.628 nan 8.270 nan 0.000 0.586 43 N N 0.710 119.258 118.700 -0.254 0.000 2.696 43 N HA -0.280 4.462 4.740 0.003 0.000 0.249 43 N C -0.707 174.714 175.510 -0.147 0.000 1.090 43 N CA 1.289 54.142 53.050 -0.327 0.000 0.716 43 N CB -0.521 37.566 38.487 -0.667 0.000 1.020 43 N HN 0.670 nan 8.380 nan 0.000 0.548 44 R N -3.127 117.310 120.500 -0.104 0.000 3.936 44 R HA -0.150 4.192 4.340 0.003 0.000 0.366 44 R C 0.796 177.095 176.300 -0.003 0.000 1.158 44 R CA 1.125 57.194 56.100 -0.052 0.000 0.969 44 R CB -1.543 28.743 30.300 -0.025 0.000 1.504 44 R HN 0.451 nan 8.270 nan 0.000 0.538 45 G N -0.005 108.796 108.800 0.001 0.000 2.588 45 G HA2 0.395 4.357 3.960 0.003 0.000 0.281 45 G HA3 0.395 4.357 3.960 0.003 0.000 0.281 45 G C -0.629 174.298 174.900 0.045 0.000 1.236 45 G CA -0.509 44.618 45.100 0.044 0.000 0.969 45 G HN 0.262 nan 8.290 nan 0.000 0.504 46 E N -1.004 119.242 120.200 0.076 0.000 2.165 46 E HA 0.273 4.625 4.350 0.003 0.000 0.266 46 E C -1.018 175.645 176.600 0.106 0.000 0.889 46 E CA -0.587 55.868 56.400 0.091 0.000 0.756 46 E CB 2.001 31.778 29.700 0.128 0.000 1.131 46 E HN 0.370 nan 8.360 nan 0.000 0.411 47 c N 4.899 123.553 118.600 0.091 0.000 2.514 47 c HA 0.558 5.130 4.570 0.003 0.000 0.392 47 c C -0.081 174.095 174.090 0.142 0.000 1.294 47 c CA -0.391 56.016 56.329 0.130 0.000 1.957 47 c CB -1.185 41.349 42.510 0.041 0.000 2.541 47 c HN 0.818 nan 8.230 nan 0.000 0.569 48 M N 5.834 125.537 119.600 0.171 0.000 2.327 48 M HA 0.553 5.035 4.480 0.003 0.000 0.298 48 M C -0.017 176.369 176.300 0.144 0.000 1.065 48 M CA -0.150 55.232 55.300 0.137 0.000 0.916 48 M CB 1.765 34.426 32.600 0.102 0.000 1.630 48 M HN 0.598 nan 8.290 nan 0.000 0.442 49 S N 1.652 117.424 115.700 0.120 0.000 2.572 49 S HA 0.467 4.939 4.470 0.003 0.000 0.279 49 S C 0.489 175.117 174.600 0.048 0.000 1.341 49 S CA 0.094 58.357 58.200 0.104 0.000 1.043 49 S CB 0.219 63.462 63.200 0.071 0.000 0.887 49 S HN 1.019 nan 8.310 nan 0.000 0.516 50 T N -2.690 111.883 114.554 0.032 0.000 3.748 50 T HA 0.617 4.969 4.350 0.003 0.000 0.281 50 T C 0.487 175.170 174.700 -0.029 0.000 0.977 50 T CA -0.155 61.939 62.100 -0.011 0.000 1.056 50 T CB -0.259 68.603 68.868 -0.010 0.000 1.138 50 T HN 1.873 nan 8.240 nan 0.000 0.498 51 G N 0.738 109.490 108.800 -0.079 0.000 2.414 51 G HA2 0.198 4.160 3.960 0.003 0.000 0.191 51 G HA3 0.198 4.160 3.960 0.003 0.000 0.191 51 G C 0.131 175.085 174.900 0.090 0.000 1.082 51 G CA -0.128 44.915 45.100 -0.095 0.000 0.785 51 G HN 0.485 nan 8.290 nan 0.000 0.484 52 F N -0.880 119.102 119.950 0.053 0.000 2.542 52 F HA -0.290 4.238 4.527 0.003 0.000 0.713 52 F C 1.663 177.499 175.800 0.062 0.000 0.486 52 F CA 2.365 60.396 58.000 0.053 0.000 0.763 52 F CB -1.333 37.692 39.000 0.042 0.000 1.628 52 F HN 0.339 nan 8.300 nan 0.000 0.270 53 D N -0.232 120.340 120.400 0.287 0.000 2.380 53 D HA 0.129 4.771 4.640 0.003 0.000 0.212 53 D C 0.612 177.014 176.300 0.170 0.000 1.021 53 D CA 0.648 54.761 54.000 0.188 0.000 0.884 53 D CB -0.002 40.883 40.800 0.142 0.000 1.001 53 D HN 0.326 nan 8.370 nan 0.000 0.506 54 Q N 0.111 119.995 119.800 0.139 0.000 2.221 54 Q HA 0.459 4.801 4.340 0.003 0.000 0.242 54 Q C -0.525 175.547 176.000 0.120 0.000 0.940 54 Q CA -0.635 55.218 55.803 0.084 0.000 0.896 54 Q CB 1.110 29.851 28.738 0.006 0.000 1.226 54 Q HN 0.198 nan 8.270 nan 0.000 0.463 55 Y N -2.259 118.063 120.300 0.036 0.000 2.665 55 Y HA 0.870 5.422 4.550 0.004 0.000 0.336 55 Y C -1.052 174.865 175.900 0.029 0.000 1.085 55 Y CA -1.294 56.825 58.100 0.031 0.000 1.096 55 Y CB 1.601 40.080 38.460 0.030 0.000 1.301 55 Y HN 0.306 nan 8.280 nan 0.000 0.493 56 K N 1.067 121.494 120.400 0.046 0.000 2.525 56 K HA 0.532 4.854 4.320 0.003 0.000 0.254 56 K C -2.166 174.521 176.600 0.145 0.000 0.934 56 K CA -0.413 55.860 56.287 -0.023 0.000 0.802 56 K CB 2.033 34.526 32.500 -0.010 0.000 1.295 56 K HN 0.982 nan 8.250 nan 0.000 0.433 57 c N 1.976 120.648 118.600 0.121 0.000 2.273 57 c HA 0.305 4.877 4.570 0.003 0.000 0.328 57 c C 0.179 174.330 174.090 0.102 0.000 1.275 57 c CA -0.829 55.587 56.329 0.144 0.000 1.704 57 c CB 0.318 42.926 42.510 0.163 0.000 2.326 57 c HN 0.612 nan 8.230 nan 0.000 0.517 58 D N 1.765 122.224 120.400 0.098 0.000 2.517 58 D HA 0.159 4.801 4.640 0.003 0.000 0.220 58 D C 0.592 176.946 176.300 0.090 0.000 1.158 58 D CA -0.181 53.870 54.000 0.085 0.000 0.992 58 D CB 0.157 41.006 40.800 0.081 0.000 1.058 58 D HN 0.663 nan 8.370 nan 0.000 0.516 59 c N 2.245 120.906 118.600 0.102 0.000 2.511 59 c HA 0.032 4.604 4.570 0.003 0.000 0.300 59 c C 0.851 175.013 174.090 0.119 0.000 1.393 59 c CA -0.299 56.104 56.329 0.124 0.000 1.637 59 c CB -2.149 40.459 42.510 0.163 0.000 1.637 59 c HN 0.430 nan 8.230 nan 0.000 0.595 60 T N 1.103 115.711 114.554 0.091 0.000 2.871 60 T HA 0.092 4.444 4.350 0.003 0.000 0.296 60 T C 0.952 175.700 174.700 0.079 0.000 0.998 60 T CA 0.182 62.328 62.100 0.076 0.000 1.162 60 T CB 0.083 68.986 68.868 0.058 0.000 0.947 60 T HN 0.603 nan 8.240 nan 0.000 0.536 61 R N 0.024 120.568 120.500 0.072 0.000 3.932 61 R HA -0.242 4.100 4.340 0.003 0.000 0.318 61 R C 1.806 178.161 176.300 0.092 0.000 1.219 61 R CA 1.205 57.345 56.100 0.068 0.000 0.889 61 R CB -2.151 28.181 30.300 0.052 0.000 1.309 61 R HN 0.979 nan 8.270 nan 0.000 0.537 62 T N -5.002 109.632 114.554 0.133 0.000 2.894 62 T HA 0.167 4.519 4.350 0.003 0.000 0.258 62 T C 1.486 176.345 174.700 0.265 0.000 1.043 62 T CA 1.092 63.311 62.100 0.199 0.000 1.141 62 T CB 0.447 69.455 68.868 0.234 0.000 0.873 62 T HN 0.737 nan 8.240 nan 0.000 0.449 63 G N 0.674 109.583 108.800 0.183 0.000 2.138 63 G HA2 -0.044 3.918 3.960 0.003 0.000 0.193 63 G HA3 -0.044 3.918 3.960 0.003 0.000 0.193 63 G C -0.212 174.499 174.900 -0.314 0.000 0.998 63 G CA -0.278 44.814 45.100 -0.013 0.000 0.668 63 G HN 0.560 nan 8.290 nan 0.000 0.516 64 F N -0.327 119.681 119.950 0.096 0.000 2.608 64 F HA 0.691 5.220 4.527 0.004 0.000 0.309 64 F C 0.106 175.995 175.800 0.148 0.000 1.103 64 F CA -1.342 56.700 58.000 0.071 0.000 0.954 64 F CB 1.385 40.382 39.000 -0.004 0.000 1.267 64 F HN 0.256 nan 8.300 nan 0.000 0.444 65 Y N -0.053 120.352 120.300 0.176 0.000 2.753 65 Y HA 0.978 5.531 4.550 0.005 0.000 0.324 65 Y C 0.205 176.174 175.900 0.115 0.000 1.147 65 Y CA -1.941 56.228 58.100 0.116 0.000 1.173 65 Y CB 0.891 39.390 38.460 0.064 0.000 1.361 65 Y HN 1.071 nan 8.280 nan 0.000 0.545 66 G N 0.115 109.054 108.800 0.232 0.000 2.662 66 G HA2 -0.214 3.748 3.960 0.003 0.000 0.686 66 G HA3 -0.214 3.748 3.960 0.003 0.000 0.686 66 G C 0.289 175.243 174.900 0.090 0.000 1.271 66 G CA -0.099 45.066 45.100 0.107 0.000 0.816 66 G HN 1.169 nan 8.290 nan 0.000 0.608 67 E N -0.186 120.054 120.200 0.066 0.000 2.197 67 E HA -0.248 4.104 4.350 0.003 0.000 0.205 67 E C 1.353 178.016 176.600 0.106 0.000 1.029 67 E CA 1.907 58.341 56.400 0.058 0.000 0.828 67 E CB -0.052 29.670 29.700 0.037 0.000 0.737 67 E HN 0.404 nan 8.360 nan 0.000 0.464 68 N N -1.177 117.578 118.700 0.092 0.000 2.291 68 N HA 0.099 4.841 4.740 0.003 0.000 0.244 68 N C -0.774 174.763 175.510 0.045 0.000 1.216 68 N CA 0.407 53.514 53.050 0.094 0.000 0.879 68 N CB 0.553 39.082 38.487 0.070 0.000 1.167 68 N HN 0.136 nan 8.380 nan 0.000 0.515 69 c N 0.518 119.160 118.600 0.070 0.000 4.365 69 c HA -0.150 4.422 4.570 0.003 0.000 0.299 69 c C 2.048 176.152 174.090 0.024 0.000 1.409 69 c CA 1.098 57.481 56.329 0.090 0.000 2.007 69 c CB -3.044 39.510 42.510 0.072 0.000 1.264 69 c HN 0.570 nan 8.230 nan 0.000 0.777 70 T N -2.789 111.775 114.554 0.017 0.000 2.866 70 T HA 0.082 4.434 4.350 0.003 0.000 0.250 70 T C 0.868 175.642 174.700 0.123 0.000 1.033 70 T CA 1.449 63.543 62.100 -0.010 0.000 1.145 70 T CB -0.210 68.643 68.868 -0.025 0.000 0.866 70 T HN 0.837 nan 8.240 nan 0.000 0.434 71 T N 5.119 119.653 114.554 -0.033 0.000 2.779 71 T HA 0.332 4.684 4.350 0.003 0.000 0.296 71 T C -2.670 171.899 174.700 -0.219 0.000 0.938 71 T CA -2.014 59.973 62.100 -0.188 0.000 1.119 71 T CB 0.563 69.118 68.868 -0.522 0.000 0.891 71 T HN 0.090 nan 8.240 nan 0.000 0.526 72 P HA 0.219 nan 4.420 nan 0.000 0.274 72 P C -0.367 176.763 177.300 -0.284 0.000 1.231 72 P CA -0.347 62.348 63.100 -0.675 0.000 0.790 72 P CB 0.761 32.120 31.700 -0.567 0.000 0.951 73 E N 0.792 120.828 120.200 -0.273 0.000 2.354 73 E HA 0.055 4.407 4.350 0.003 0.000 0.269 73 E C 0.818 177.407 176.600 -0.018 0.000 1.036 73 E CA -0.340 56.075 56.400 0.025 0.000 0.876 73 E CB 0.187 29.878 29.700 -0.014 0.000 1.009 73 E HN 0.362 nan 8.360 nan 0.000 0.416 74 F N 2.693 122.631 119.950 -0.019 0.000 2.045 74 F HA -0.318 4.212 4.527 0.004 0.000 0.297 74 F C 1.895 177.664 175.800 -0.053 0.000 1.114 74 F CA 1.871 59.854 58.000 -0.029 0.000 1.207 74 F CB -0.174 38.819 39.000 -0.010 0.000 0.964 74 F HN 0.503 nan 8.300 nan 0.000 0.486 75 L N -0.057 121.262 121.223 0.161 0.000 2.127 75 L HA -0.190 4.152 4.340 0.003 0.000 0.211 75 L C 2.170 178.998 176.870 -0.070 0.000 1.089 75 L CA 2.413 57.293 54.840 0.066 0.000 0.757 75 L CB -1.287 40.815 42.059 0.071 0.000 0.899 75 L HN 0.213 nan 8.230 nan 0.000 0.434 76 T N -0.213 114.259 114.554 -0.137 0.000 2.720 76 T HA -0.198 4.154 4.350 0.003 0.000 0.268 76 T C 1.935 176.518 174.700 -0.195 0.000 1.037 76 T CA 1.751 63.721 62.100 -0.218 0.000 1.144 76 T CB -0.202 68.373 68.868 -0.489 0.000 0.864 76 T HN 0.429 nan 8.240 nan 0.000 0.444 77 R N 0.520 120.865 120.500 -0.257 0.000 2.094 77 R HA -0.100 4.242 4.340 0.003 0.000 0.239 77 R C 2.395 178.580 176.300 -0.191 0.000 1.137 77 R CA 1.436 57.382 56.100 -0.256 0.000 0.943 77 R CB -0.709 29.322 30.300 -0.450 0.000 0.850 77 R HN 0.326 nan 8.270 nan 0.000 0.433 78 I N 1.749 122.198 120.570 -0.202 0.000 2.113 78 I HA -0.323 3.849 4.170 0.003 0.000 0.242 78 I C 2.115 178.197 176.117 -0.058 0.000 1.064 78 I CA 1.751 62.987 61.300 -0.108 0.000 1.320 78 I CB -1.134 36.838 38.000 -0.047 0.000 1.028 78 I HN 0.216 nan 8.210 nan 0.000 0.406 79 K N 0.460 120.830 120.400 -0.050 0.000 2.025 79 K HA -0.086 4.236 4.320 0.003 0.000 0.207 79 K C 2.244 178.841 176.600 -0.006 0.000 1.049 79 K CA 0.944 57.218 56.287 -0.021 0.000 0.933 79 K CB -0.316 32.170 32.500 -0.024 0.000 0.714 79 K HN 0.243 nan 8.250 nan 0.000 0.438 80 L N 1.241 122.457 121.223 -0.010 0.000 2.051 80 L HA -0.253 4.089 4.340 0.003 0.000 0.214 80 L C 2.448 179.323 176.870 0.008 0.000 1.076 80 L CA 1.394 56.245 54.840 0.019 0.000 0.758 80 L CB -0.621 41.456 42.059 0.029 0.000 0.890 80 L HN 0.270 nan 8.230 nan 0.000 0.433 81 L N -0.880 120.332 121.223 -0.019 0.000 1.994 81 L HA -0.259 4.083 4.340 0.003 0.000 0.208 81 L C 2.472 179.342 176.870 -0.001 0.000 1.071 81 L CA 1.146 55.976 54.840 -0.016 0.000 0.745 81 L CB -0.474 41.565 42.059 -0.034 0.000 0.892 81 L HN 0.250 nan 8.230 nan 0.000 0.431 82 L N 0.151 121.374 121.223 -0.000 0.000 2.362 82 L HA -0.105 4.237 4.340 0.003 0.000 0.219 82 L C 1.173 178.060 176.870 0.028 0.000 1.134 82 L CA 0.857 55.703 54.840 0.009 0.000 0.807 82 L CB -0.791 41.272 42.059 0.006 0.000 0.927 82 L HN 0.050 nan 8.230 nan 0.000 0.447 83 K N 2.632 123.056 120.400 0.039 0.000 2.320 83 K HA -0.007 4.316 4.320 0.003 0.000 0.273 83 K C -2.080 174.561 176.600 0.067 0.000 1.146 83 K CA -0.683 55.643 56.287 0.065 0.000 1.144 83 K CB -0.194 32.349 32.500 0.071 0.000 0.878 83 K HN 0.041 nan 8.250 nan 0.000 0.458 84 P HA 0.027 nan 4.420 nan 0.000 0.279 84 P C -0.529 176.831 177.300 0.099 0.000 1.239 84 P CA -0.479 62.668 63.100 0.077 0.000 0.789 84 P CB 1.271 33.020 31.700 0.082 0.000 0.933 85 T N 4.110 118.715 114.554 0.086 0.000 2.928 85 T HA 0.082 4.434 4.350 0.003 0.000 0.305 85 T C -0.995 173.782 174.700 0.130 0.000 1.035 85 T CA -1.412 60.746 62.100 0.096 0.000 1.145 85 T CB -0.010 68.903 68.868 0.075 0.000 0.963 85 T HN 0.336 nan 8.240 nan 0.000 0.545 86 P HA -0.201 nan 4.420 nan 0.000 0.218 86 P C 1.052 178.482 177.300 0.217 0.000 1.152 86 P CA 1.527 64.734 63.100 0.179 0.000 0.857 86 P CB 0.098 31.896 31.700 0.164 0.000 0.787 87 N N -0.853 117.957 118.700 0.183 0.000 2.216 87 N HA -0.068 4.674 4.740 0.003 0.000 0.183 87 N C 1.755 177.394 175.510 0.216 0.000 1.017 87 N CA 1.446 54.611 53.050 0.192 0.000 0.861 87 N CB -0.722 37.827 38.487 0.104 0.000 0.986 87 N HN 0.218 nan 8.380 nan 0.000 0.428 88 T N 1.786 116.438 114.554 0.163 0.000 2.674 88 T HA -0.074 4.278 4.350 0.003 0.000 0.265 88 T C 2.376 177.217 174.700 0.235 0.000 1.039 88 T CA 1.117 63.308 62.100 0.152 0.000 1.150 88 T CB -0.437 68.489 68.868 0.097 0.000 0.864 88 T HN -0.012 nan 8.240 nan 0.000 0.427 89 V N 1.643 121.683 119.914 0.210 0.000 2.332 89 V HA -0.240 3.882 4.120 0.003 0.000 0.248 89 V C 2.437 178.646 176.094 0.192 0.000 1.055 89 V CA 1.898 64.322 62.300 0.206 0.000 1.038 89 V CB -0.914 31.028 31.823 0.198 0.000 0.651 89 V HN 0.567 nan 8.190 nan 0.000 0.450 90 H N -0.567 118.573 119.070 0.117 0.000 2.319 90 H HA -0.247 4.312 4.556 0.005 0.000 0.299 90 H C 2.267 177.640 175.328 0.076 0.000 1.092 90 H CA 2.623 58.708 56.048 0.060 0.000 1.302 90 H CB -0.413 29.417 29.762 0.112 0.000 1.373 90 H HN 0.537 nan 8.280 nan 0.000 0.497 91 Y N 1.004 121.465 120.300 0.269 0.000 2.049 91 Y HA -0.203 4.350 4.550 0.004 0.000 0.277 91 Y C 2.818 178.811 175.900 0.155 0.000 1.143 91 Y CA 2.235 60.434 58.100 0.165 0.000 1.115 91 Y CB -0.716 37.734 38.460 -0.017 0.000 0.975 91 Y HN 0.125 nan 8.280 nan 0.000 0.487 92 I N -0.422 120.429 120.570 0.469 0.000 2.315 92 I HA -0.312 3.860 4.170 0.003 0.000 0.251 92 I C 2.157 178.601 176.117 0.544 0.000 1.125 92 I CA 0.906 62.572 61.300 0.611 0.000 1.392 92 I CB -0.526 37.805 38.000 0.552 0.000 1.065 92 I HN 0.309 nan 8.210 nan 0.000 0.424 93 L N 0.411 121.767 121.223 0.221 0.000 2.044 93 L HA -0.096 4.246 4.340 0.003 0.000 0.205 93 L C 2.437 179.117 176.870 -0.317 0.000 1.075 93 L CA 2.064 56.841 54.840 -0.105 0.000 0.747 93 L CB -1.120 40.549 42.059 -0.650 0.000 0.903 93 L HN 0.183 nan 8.230 nan 0.000 0.435 94 T N -0.650 113.723 114.554 -0.302 0.000 3.113 94 T HA -0.005 4.347 4.350 0.003 0.000 0.263 94 T C 0.762 175.053 174.700 -0.682 0.000 1.143 94 T CA 0.441 62.249 62.100 -0.486 0.000 1.090 94 T CB -0.337 68.383 68.868 -0.246 0.000 0.922 94 T HN 0.379 nan 8.240 nan 0.000 0.521 95 H N -0.731 118.039 119.070 -0.500 0.000 3.247 95 H HA 0.311 4.869 4.556 0.003 0.000 0.262 95 H C 0.303 175.538 175.328 -0.155 0.000 1.646 95 H CA -1.261 54.408 56.048 -0.631 0.000 1.600 95 H CB 0.454 29.305 29.762 -1.519 0.000 1.635 95 H HN 0.041 nan 8.280 nan 0.000 0.915 96 F N -0.557 119.643 119.950 0.417 0.000 3.097 96 F HA -0.231 4.298 4.527 0.003 0.000 0.278 96 F C 1.731 177.709 175.800 0.297 0.000 0.917 96 F CA 0.610 58.770 58.000 0.266 0.000 0.962 96 F CB -2.074 36.977 39.000 0.085 0.000 0.964 96 F HN 0.406 nan 8.300 nan 0.000 0.668 97 K N 1.237 121.826 120.400 0.315 0.000 2.277 97 K HA -0.206 4.116 4.320 0.003 0.000 0.206 97 K C 2.061 178.704 176.600 0.072 0.000 1.044 97 K CA 2.030 58.280 56.287 -0.063 0.000 0.932 97 K CB -0.824 31.403 32.500 -0.454 0.000 0.726 97 K HN 0.599 nan 8.250 nan 0.000 0.473 98 G N -1.162 107.705 108.800 0.111 0.000 2.441 98 G HA2 -0.075 3.887 3.960 0.003 0.000 0.212 98 G HA3 -0.075 3.887 3.960 0.003 0.000 0.212 98 G C 1.479 176.429 174.900 0.083 0.000 1.164 98 G CA 0.470 45.619 45.100 0.081 0.000 0.811 98 G HN 0.172 nan 8.290 nan 0.000 0.535 99 V N -0.052 119.905 119.914 0.071 0.000 2.255 99 V HA -0.204 3.918 4.120 0.003 0.000 0.247 99 V C 2.400 178.462 176.094 -0.053 0.000 1.051 99 V CA 1.756 64.019 62.300 -0.061 0.000 1.018 99 V CB -0.841 30.869 31.823 -0.188 0.000 0.641 99 V HN 0.558 nan 8.190 nan 0.000 0.445 100 W N 0.406 121.795 121.300 0.149 0.000 2.331 100 W HA -0.239 4.423 4.660 0.003 0.000 0.291 100 W C 2.552 179.145 176.519 0.124 0.000 1.214 100 W CA 1.606 59.050 57.345 0.164 0.000 1.228 100 W CB -0.413 29.174 29.460 0.211 0.000 1.135 100 W HN 0.320 nan 8.180 nan 0.000 0.537 101 N N 0.502 119.372 118.700 0.284 0.000 2.188 101 N HA -0.156 4.586 4.740 0.003 0.000 0.184 101 N C 1.445 177.034 175.510 0.133 0.000 1.018 101 N CA 1.605 54.760 53.050 0.174 0.000 0.858 101 N CB -0.356 38.187 38.487 0.093 0.000 0.989 101 N HN 0.063 nan 8.380 nan 0.000 0.426 102 I N -0.441 120.186 120.570 0.095 0.000 2.179 102 I HA -0.269 3.903 4.170 0.003 0.000 0.242 102 I C 1.980 178.140 176.117 0.071 0.000 1.088 102 I CA 0.747 62.080 61.300 0.054 0.000 1.357 102 I CB -0.337 37.670 38.000 0.012 0.000 1.051 102 I HN 0.027 nan 8.210 nan 0.000 0.409 103 V N 0.761 120.744 119.914 0.115 0.000 2.231 103 V HA -0.304 3.818 4.120 0.003 0.000 0.248 103 V C 1.402 177.635 176.094 0.231 0.000 1.054 103 V CA 1.857 64.263 62.300 0.177 0.000 1.015 103 V CB -0.940 31.068 31.823 0.309 0.000 0.638 103 V HN 0.466 nan 8.190 nan 0.000 0.444 104 N N 0.690 119.569 118.700 0.299 0.000 2.738 104 N HA 0.002 4.744 4.740 0.003 0.000 0.220 104 N C 0.268 175.829 175.510 0.084 0.000 1.546 104 N CA 0.257 53.431 53.050 0.206 0.000 0.924 104 N CB -1.271 37.320 38.487 0.174 0.000 1.271 104 N HN 0.495 nan 8.380 nan 0.000 0.504 105 I N 0.510 120.990 120.570 -0.151 0.000 2.728 105 I HA -0.300 3.872 4.170 0.003 0.000 0.127 105 I C -1.004 174.768 176.117 -0.575 0.000 0.882 105 I CA -0.449 60.609 61.300 -0.403 0.000 2.784 105 I CB -0.186 37.701 38.000 -0.189 0.000 0.549 105 I HN 0.064 nan 8.210 nan 0.000 0.352 106 P HA -0.258 nan 4.420 nan 0.000 0.218 106 P C 1.419 178.552 177.300 -0.279 0.000 1.165 106 P CA 1.992 64.812 63.100 -0.467 0.000 0.922 106 P CB 0.009 31.461 31.700 -0.412 0.000 0.794 107 F N -1.653 118.350 119.950 0.088 0.000 2.154 107 F HA -0.156 4.373 4.527 0.003 0.000 0.301 107 F C 2.391 178.246 175.800 0.091 0.000 1.087 107 F CA 0.822 58.870 58.000 0.080 0.000 1.274 107 F CB -2.073 36.965 39.000 0.062 0.000 1.009 107 F HN -0.105 nan 8.300 nan 0.000 0.485 108 L N -0.370 120.890 121.223 0.063 0.000 2.023 108 L HA -0.117 4.225 4.340 0.003 0.000 0.205 108 L C 2.882 179.830 176.870 0.130 0.000 1.073 108 L CA 1.231 56.125 54.840 0.089 0.000 0.745 108 L CB -0.451 41.635 42.059 0.045 0.000 0.900 108 L HN 0.070 nan 8.230 nan 0.000 0.435 109 R N 0.162 120.761 120.500 0.165 0.000 2.097 109 R HA -0.226 4.117 4.340 0.003 0.000 0.236 109 R C 2.524 179.038 176.300 0.357 0.000 1.135 109 R CA 2.348 58.675 56.100 0.379 0.000 0.934 109 R CB -0.346 30.142 30.300 0.314 0.000 0.846 109 R HN 0.485 nan 8.270 nan 0.000 0.431 110 S N 1.681 117.510 115.700 0.215 0.000 2.365 110 S HA -0.214 4.258 4.470 0.003 0.000 0.225 110 S C 2.128 176.838 174.600 0.184 0.000 1.039 110 S CA 1.363 59.671 58.200 0.180 0.000 1.033 110 S CB -0.933 62.348 63.200 0.135 0.000 0.887 110 S HN 0.426 nan 8.310 nan 0.000 0.447 111 L N 1.656 122.980 121.223 0.168 0.000 2.021 111 L HA -0.134 4.208 4.340 0.003 0.000 0.215 111 L C 2.359 179.320 176.870 0.152 0.000 1.074 111 L CA 2.143 57.070 54.840 0.144 0.000 0.760 111 L CB -0.995 41.138 42.059 0.124 0.000 0.889 111 L HN 0.320 nan 8.230 nan 0.000 0.433 112 I N -0.675 119.976 120.570 0.135 0.000 2.142 112 I HA -0.308 3.864 4.170 0.003 0.000 0.240 112 I C 2.653 178.916 176.117 0.243 0.000 1.078 112 I CA 1.074 62.409 61.300 0.059 0.000 1.343 112 I CB -1.370 36.360 38.000 -0.449 0.000 1.046 112 I HN 0.321 nan 8.210 nan 0.000 0.405 113 M N 1.148 120.986 119.600 0.396 0.000 2.143 113 M HA -0.242 4.240 4.480 0.003 0.000 0.258 113 M C 2.197 178.623 176.300 0.210 0.000 1.071 113 M CA 1.729 57.258 55.300 0.381 0.000 1.088 113 M CB -0.982 31.800 32.600 0.304 0.000 1.360 113 M HN 0.193 nan 8.290 nan 0.000 0.404 114 K N -1.543 118.963 120.400 0.176 0.000 1.985 114 K HA -0.238 4.084 4.320 0.003 0.000 0.210 114 K C 2.156 178.836 176.600 0.133 0.000 1.047 114 K CA 1.857 58.214 56.287 0.118 0.000 0.932 114 K CB -0.607 31.962 32.500 0.116 0.000 0.716 114 K HN 0.357 nan 8.250 nan 0.000 0.439 115 Y N 1.118 121.467 120.300 0.083 0.000 2.069 115 Y HA -0.306 4.245 4.550 0.003 0.000 0.278 115 Y C 1.969 177.933 175.900 0.107 0.000 1.175 115 Y CA 1.964 60.116 58.100 0.086 0.000 1.134 115 Y CB -0.897 37.606 38.460 0.072 0.000 0.965 115 Y HN -0.007 nan 8.280 nan 0.000 0.498 116 V N 0.378 120.163 119.914 -0.216 0.000 2.287 116 V HA -0.269 3.853 4.120 0.003 0.000 0.248 116 V C 2.306 178.298 176.094 -0.171 0.000 1.053 116 V CA 2.250 64.374 62.300 -0.294 0.000 1.027 116 V CB -0.861 31.020 31.823 0.095 0.000 0.646 116 V HN 0.516 nan 8.190 nan 0.000 0.447 117 L N 1.144 122.337 121.223 -0.050 0.000 2.043 117 L HA -0.152 4.190 4.340 0.003 0.000 0.212 117 L C 2.846 179.679 176.870 -0.062 0.000 1.075 117 L CA 3.039 57.848 54.840 -0.051 0.000 0.752 117 L CB -1.284 40.741 42.059 -0.057 0.000 0.891 117 L HN 0.788 nan 8.230 nan 0.000 0.432 118 T N -4.302 110.224 114.554 -0.047 0.000 2.706 118 T HA -0.121 4.231 4.350 0.003 0.000 0.255 118 T C 2.089 176.821 174.700 0.053 0.000 1.048 118 T CA 1.321 63.435 62.100 0.024 0.000 1.153 118 T CB -0.985 67.921 68.868 0.063 0.000 0.865 118 T HN 0.410 nan 8.240 nan 0.000 0.414 119 S N 2.457 118.146 115.700 -0.018 0.000 2.378 119 S HA -0.287 4.185 4.470 0.003 0.000 0.229 119 S C 2.206 176.826 174.600 0.034 0.000 1.052 119 S CA 1.466 59.706 58.200 0.068 0.000 1.084 119 S CB -0.762 62.332 63.200 -0.176 0.000 0.950 119 S HN 0.351 nan 8.310 nan 0.000 0.440 120 R N 1.633 122.093 120.500 -0.067 0.000 2.119 120 R HA -0.011 4.331 4.340 0.003 0.000 0.246 120 R C 2.656 178.911 176.300 -0.076 0.000 1.146 120 R CA 1.880 57.942 56.100 -0.062 0.000 0.962 120 R CB -1.087 29.200 30.300 -0.023 0.000 0.863 120 R HN 0.602 nan 8.270 nan 0.000 0.442 121 S N -0.617 115.085 115.700 0.002 0.000 2.414 121 S HA -0.098 4.374 4.470 0.003 0.000 0.227 121 S C 1.469 176.072 174.600 0.005 0.000 1.022 121 S CA 0.764 58.990 58.200 0.043 0.000 0.958 121 S CB -0.346 62.970 63.200 0.194 0.000 0.797 121 S HN 0.584 nan 8.310 nan 0.000 0.493 122 Y N 1.572 121.892 120.300 0.034 0.000 2.556 122 Y HA 0.008 4.560 4.550 0.003 0.000 0.290 122 Y C 1.447 177.332 175.900 -0.025 0.000 1.149 122 Y CA 0.385 58.494 58.100 0.015 0.000 1.329 122 Y CB -0.558 37.915 38.460 0.021 0.000 0.975 122 Y HN 0.095 nan 8.280 nan 0.000 0.561 123 L N 0.897 121.749 121.223 -0.619 0.000 2.209 123 L HA 0.087 4.430 4.340 0.003 0.000 0.207 123 L C 0.612 177.281 176.870 -0.334 0.000 1.094 123 L CA 0.548 55.017 54.840 -0.617 0.000 0.790 123 L CB -1.010 40.634 42.059 -0.692 0.000 0.932 123 L HN 0.310 nan 8.230 nan 0.000 0.447 124 I N -1.969 118.512 120.570 -0.148 0.000 2.499 124 I HA 0.281 4.453 4.170 0.003 0.000 0.296 124 I C -0.025 176.094 176.117 0.004 0.000 0.992 124 I CA -1.071 60.221 61.300 -0.014 0.000 1.297 124 I CB 0.110 38.172 38.000 0.103 0.000 1.410 124 I HN -0.192 nan 8.210 nan 0.000 0.507 125 D N 3.630 124.055 120.400 0.042 0.000 2.344 125 D HA 0.327 4.969 4.640 0.003 0.000 0.253 125 D C -0.643 175.664 176.300 0.011 0.000 1.255 125 D CA 0.441 54.462 54.000 0.035 0.000 0.894 125 D CB 0.674 41.515 40.800 0.069 0.000 1.067 125 D HN 0.533 nan 8.370 nan 0.000 0.492 126 S N 2.388 118.078 115.700 -0.017 0.000 2.736 126 S HA 0.441 4.913 4.470 0.003 0.000 0.285 126 S C -2.467 172.109 174.600 -0.040 0.000 1.163 126 S CA -1.152 57.023 58.200 -0.042 0.000 1.025 126 S CB 1.246 64.380 63.200 -0.109 0.000 1.030 126 S HN 0.131 nan 8.310 nan 0.000 0.486 127 P HA 0.283 nan 4.420 nan 0.000 0.272 127 P C -2.489 174.835 177.300 0.040 0.000 1.230 127 P CA -0.973 62.144 63.100 0.030 0.000 0.788 127 P CB -0.030 31.702 31.700 0.053 0.000 0.949 128 P HA -0.065 nan 4.420 nan 0.000 0.267 128 P C 0.052 177.372 177.300 0.033 0.000 1.201 128 P CA 0.348 63.475 63.100 0.046 0.000 0.775 128 P CB 0.490 32.190 31.700 -0.000 0.000 0.854 129 T N -0.718 113.829 114.554 -0.012 0.000 2.638 129 T HA 0.218 4.570 4.350 0.003 0.000 0.169 129 T C 0.579 175.164 174.700 -0.191 0.000 0.790 129 T CA -0.046 61.946 62.100 -0.180 0.000 1.151 129 T CB -0.661 68.008 68.868 -0.331 0.000 2.581 129 T HN 0.215 nan 8.240 nan 0.000 0.391 130 Y N 3.652 123.977 120.300 0.041 0.000 2.220 130 Y HA 0.573 5.126 4.550 0.004 0.000 0.347 130 Y C 0.960 176.846 175.900 -0.024 0.000 1.311 130 Y CA -0.245 57.869 58.100 0.023 0.000 1.593 130 Y CB 0.053 38.508 38.460 -0.009 0.000 1.419 130 Y HN 0.989 nan 8.280 nan 0.000 0.614 131 N N -4.774 113.993 118.700 0.113 0.000 3.465 131 N HA 0.070 4.812 4.740 0.003 0.000 0.244 131 N C -0.314 175.038 175.510 -0.262 0.000 1.454 131 N CA -0.294 52.686 53.050 -0.116 0.000 0.865 131 N CB 0.218 38.549 38.487 -0.259 0.000 1.439 131 N HN 0.210 nan 8.380 nan 0.000 0.480 132 V N 0.013 119.665 119.914 -0.436 0.000 2.285 132 V HA -0.370 3.752 4.120 0.003 0.000 0.260 132 V C 1.670 177.424 176.094 -0.566 0.000 1.089 132 V CA 2.751 64.731 62.300 -0.533 0.000 1.082 132 V CB -1.323 30.023 31.823 -0.794 0.000 0.681 132 V HN 0.801 nan 8.190 nan 0.000 0.452 133 H N -3.622 115.164 119.070 -0.472 0.000 2.639 133 H HA 0.239 4.797 4.556 0.004 0.000 0.267 133 H C -0.099 174.728 175.328 -0.835 0.000 0.958 133 H CA 0.061 55.764 56.048 -0.576 0.000 1.221 133 H CB 0.305 29.690 29.762 -0.627 0.000 1.446 133 H HN 0.466 nan 8.280 nan 0.000 0.512 134 Y N 0.185 120.401 120.300 -0.140 0.000 2.464 134 Y HA 0.319 4.871 4.550 0.003 0.000 0.326 134 Y C 1.187 177.018 175.900 -0.115 0.000 0.969 134 Y CA -0.796 57.158 58.100 -0.243 0.000 1.270 134 Y CB 1.612 39.999 38.460 -0.122 0.000 1.103 134 Y HN 0.125 nan 8.280 nan 0.000 0.491 135 G N 2.385 111.096 108.800 -0.150 0.000 2.623 135 G HA2 -0.076 3.886 3.960 0.003 0.000 0.214 135 G HA3 -0.076 3.886 3.960 0.003 0.000 0.214 135 G C -0.013 175.132 174.900 0.408 0.000 1.138 135 G CA 0.372 45.517 45.100 0.076 0.000 0.794 135 G HN 0.537 nan 8.290 nan 0.000 0.535 136 Y N -2.072 118.454 120.300 0.378 0.000 2.567 136 Y HA 0.720 5.272 4.550 0.003 0.000 0.333 136 Y C 1.195 177.129 175.900 0.057 0.000 1.106 136 Y CA -2.601 55.651 58.100 0.253 0.000 1.157 136 Y CB 0.994 39.567 38.460 0.188 0.000 1.277 136 Y HN -0.195 nan 8.280 nan 0.000 0.490 137 K N 0.959 121.456 120.400 0.162 0.000 2.103 137 K HA -0.089 4.233 4.320 0.003 0.000 0.207 137 K C 0.449 177.072 176.600 0.037 0.000 1.048 137 K CA 1.295 57.547 56.287 -0.058 0.000 0.930 137 K CB -0.284 32.142 32.500 -0.123 0.000 0.716 137 K HN 0.902 nan 8.250 nan 0.000 0.444 138 S N -0.638 115.144 115.700 0.138 0.000 3.701 138 S HA -0.258 4.214 4.470 0.003 0.000 0.853 138 S C 0.694 175.295 174.600 0.001 0.000 1.288 138 S CA 0.645 58.867 58.200 0.038 0.000 0.703 138 S CB -0.313 62.869 63.200 -0.030 0.000 0.697 138 S HN 0.532 nan 8.310 nan 0.000 0.304 139 W N 3.591 124.855 121.300 -0.060 0.000 2.381 139 W HA -0.102 4.560 4.660 0.004 0.000 0.301 139 W C 1.994 178.514 176.519 0.001 0.000 1.205 139 W CA 1.736 59.096 57.345 0.024 0.000 1.285 139 W CB -0.712 28.756 29.460 0.012 0.000 1.133 139 W HN 1.078 nan 8.180 nan 0.000 0.521 140 E N 1.181 121.338 120.200 -0.073 0.000 2.114 140 E HA -0.236 4.116 4.350 0.003 0.000 0.199 140 E C 2.076 178.557 176.600 -0.198 0.000 1.008 140 E CA 2.713 59.019 56.400 -0.157 0.000 0.810 140 E CB -0.776 28.776 29.700 -0.247 0.000 0.739 140 E HN 0.150 nan 8.360 nan 0.000 0.456 141 A N 0.088 122.730 122.820 -0.296 0.000 1.832 141 A HA -0.115 4.207 4.320 0.003 0.000 0.214 141 A C 2.277 179.775 177.584 -0.144 0.000 1.200 141 A CA 1.551 53.545 52.037 -0.070 0.000 0.610 141 A CB -1.330 17.631 19.000 -0.067 0.000 0.842 141 A HN 0.482 nan 8.150 nan 0.000 0.444 142 F N 2.254 122.004 119.950 -0.333 0.000 2.115 142 F HA -0.271 4.258 4.527 0.003 0.000 0.300 142 F C 2.605 178.096 175.800 -0.515 0.000 1.092 142 F CA 2.283 60.014 58.000 -0.449 0.000 1.245 142 F CB -0.350 38.256 39.000 -0.655 0.000 0.995 142 F HN 0.309 nan 8.300 nan 0.000 0.481 143 S N -0.616 114.529 115.700 -0.925 0.000 2.388 143 S HA -0.078 4.394 4.470 0.003 0.000 0.223 143 S C 1.152 175.458 174.600 -0.491 0.000 1.034 143 S CA 0.311 58.031 58.200 -0.801 0.000 0.963 143 S CB -0.912 61.987 63.200 -0.501 0.000 0.827 143 S HN 0.403 nan 8.310 nan 0.000 0.481 144 N N 2.222 120.724 118.700 -0.329 0.000 2.399 144 N HA 0.078 4.820 4.740 0.003 0.000 0.284 144 N C 0.462 175.815 175.510 -0.262 0.000 1.283 144 N CA 0.069 52.956 53.050 -0.272 0.000 0.972 144 N CB -0.006 38.279 38.487 -0.337 0.000 1.328 144 N HN 0.458 nan 8.380 nan 0.000 0.486 145 L N 1.748 122.815 121.223 -0.260 0.000 2.551 145 L HA -0.057 4.285 4.340 0.003 0.000 0.228 145 L C 1.791 178.629 176.870 -0.052 0.000 1.153 145 L CA 0.327 55.015 54.840 -0.253 0.000 0.851 145 L CB -0.061 41.816 42.059 -0.302 0.000 0.959 145 L HN 0.410 nan 8.230 nan 0.000 0.451 146 S N -1.543 114.117 115.700 -0.067 0.000 2.461 146 S HA -0.010 4.462 4.470 0.003 0.000 0.228 146 S C 0.571 175.242 174.600 0.118 0.000 1.005 146 S CA 0.257 58.482 58.200 0.041 0.000 0.942 146 S CB -0.085 63.162 63.200 0.078 0.000 0.776 146 S HN 0.180 nan 8.310 nan 0.000 0.514 147 Y N 0.425 120.710 120.300 -0.025 0.000 2.296 147 Y HA 0.310 4.863 4.550 0.004 0.000 0.343 147 Y C 0.153 175.970 175.900 -0.139 0.000 1.292 147 Y CA -1.501 56.479 58.100 -0.200 0.000 1.490 147 Y CB 0.012 38.378 38.460 -0.157 0.000 1.359 147 Y HN 0.075 nan 8.280 nan 0.000 0.599 148 Y N -0.362 119.967 120.300 0.048 0.000 2.387 148 Y HA 0.256 4.808 4.550 0.004 0.000 0.336 148 Y C 0.740 176.640 175.900 -0.000 0.000 1.067 148 Y CA -0.645 57.463 58.100 0.013 0.000 1.114 148 Y CB 1.576 40.016 38.460 -0.033 0.000 1.208 148 Y HN 0.524 nan 8.280 nan 0.000 0.458 149 T N 2.367 117.032 114.554 0.184 0.000 2.766 149 T HA 0.392 4.744 4.350 0.003 0.000 0.295 149 T C -0.526 174.224 174.700 0.082 0.000 1.024 149 T CA -0.332 61.830 62.100 0.103 0.000 1.018 149 T CB 0.399 69.317 68.868 0.082 0.000 1.002 149 T HN 0.619 nan 8.240 nan 0.000 0.532 150 R N 1.030 121.583 120.500 0.089 0.000 2.561 150 R HA 0.665 5.007 4.340 0.003 0.000 0.297 150 R C 0.611 177.007 176.300 0.160 0.000 0.969 150 R CA -0.064 56.083 56.100 0.078 0.000 0.879 150 R CB 1.078 31.381 30.300 0.004 0.000 1.178 150 R HN 0.669 nan 8.270 nan 0.000 0.445 151 A N 4.612 127.572 122.820 0.233 0.000 2.167 151 A HA 0.206 4.528 4.320 0.003 0.000 0.214 151 A C 0.092 177.745 177.584 0.115 0.000 1.151 151 A CA 0.771 53.002 52.037 0.323 0.000 0.735 151 A CB 0.060 19.476 19.000 0.693 0.000 0.802 151 A HN 0.405 nan 8.150 nan 0.000 0.467 152 L N 0.003 121.209 121.223 -0.028 0.000 2.482 152 L HA 0.349 4.691 4.340 0.003 0.000 0.263 152 L C -2.738 173.930 176.870 -0.336 0.000 0.957 152 L CA -1.640 53.024 54.840 -0.293 0.000 0.836 152 L CB 2.601 44.332 42.059 -0.546 0.000 1.324 152 L HN -0.024 nan 8.230 nan 0.000 0.406 153 P HA 0.158 nan 4.420 nan 0.000 0.269 153 P C -2.727 174.412 177.300 -0.268 0.000 1.217 153 P CA -0.762 62.069 63.100 -0.449 0.000 0.783 153 P CB -0.106 31.238 31.700 -0.593 0.000 0.898 154 P HA 0.126 nan 4.420 nan 0.000 0.289 154 P C -0.485 176.745 177.300 -0.116 0.000 1.299 154 P CA -0.258 62.756 63.100 -0.144 0.000 0.766 154 P CB 0.523 32.142 31.700 -0.134 0.000 1.226 155 V N -0.225 119.649 119.914 -0.067 0.000 2.532 155 V HA 0.410 4.532 4.120 0.003 0.000 0.295 155 V C 0.743 176.813 176.094 -0.039 0.000 1.041 155 V CA -0.892 61.378 62.300 -0.049 0.000 0.926 155 V CB 0.743 32.556 31.823 -0.017 0.000 0.992 155 V HN 0.718 nan 8.190 nan 0.000 0.457 156 A N 2.652 125.453 122.820 -0.032 0.000 2.565 156 A HA 0.066 4.388 4.320 0.003 0.000 0.237 156 A C 0.901 178.483 177.584 -0.003 0.000 1.053 156 A CA -0.074 51.954 52.037 -0.016 0.000 0.755 156 A CB -0.171 18.830 19.000 0.002 0.000 0.980 156 A HN 0.913 nan 8.150 nan 0.000 0.506 157 D N 0.853 121.254 120.400 0.000 0.000 2.350 157 D HA -0.086 4.556 4.640 0.003 0.000 0.216 157 D C 0.970 177.283 176.300 0.022 0.000 0.968 157 D CA 1.482 55.489 54.000 0.012 0.000 0.894 157 D CB 0.164 40.973 40.800 0.015 0.000 0.909 157 D HN 0.769 nan 8.370 nan 0.000 0.520 158 D N -0.350 120.066 120.400 0.026 0.000 2.395 158 D HA -0.030 4.612 4.640 0.003 0.000 0.213 158 D C 0.343 176.663 176.300 0.032 0.000 1.110 158 D CA -0.363 53.658 54.000 0.035 0.000 0.835 158 D CB -0.539 40.290 40.800 0.048 0.000 0.965 158 D HN -0.037 nan 8.370 nan 0.000 0.505 159 c N 1.901 120.515 118.600 0.023 0.000 2.767 159 c HA 0.153 4.726 4.570 0.003 0.000 0.353 159 c C -0.101 174.002 174.090 0.021 0.000 1.376 159 c CA -0.795 55.546 56.329 0.019 0.000 2.284 159 c CB 1.339 43.854 42.510 0.008 0.000 2.535 159 c HN 0.319 nan 8.230 nan 0.000 0.745 160 P HA 0.026 nan 4.420 nan 0.000 0.220 160 P C 0.238 177.551 177.300 0.021 0.000 1.154 160 P CA 1.317 64.430 63.100 0.021 0.000 0.830 160 P CB 0.016 31.728 31.700 0.020 0.000 0.803 161 T N -3.771 110.796 114.554 0.022 0.000 2.887 161 T HA 0.414 4.766 4.350 0.003 0.000 0.288 161 T C -2.194 172.524 174.700 0.031 0.000 1.021 161 T CA -2.325 59.791 62.100 0.027 0.000 1.000 161 T CB 2.198 71.084 68.868 0.031 0.000 1.034 161 T HN -0.219 nan 8.240 nan 0.000 0.467 162 P HA -0.073 nan 4.420 nan 0.000 0.222 162 P C 0.995 178.328 177.300 0.056 0.000 1.142 162 P CA 0.958 64.086 63.100 0.046 0.000 0.788 162 P CB 0.087 31.818 31.700 0.052 0.000 0.767 163 M N -2.300 117.332 119.600 0.055 0.000 2.313 163 M HA 0.272 4.754 4.480 0.003 0.000 0.273 163 M C 1.258 177.572 176.300 0.024 0.000 1.049 163 M CA 0.382 55.716 55.300 0.056 0.000 1.004 163 M CB 0.536 33.181 32.600 0.075 0.000 1.461 163 M HN 0.092 nan 8.290 nan 0.000 0.514 164 G N 0.002 108.812 108.800 0.016 0.000 1.674 164 G HA2 -0.176 3.786 3.960 0.003 0.000 0.192 164 G HA3 -0.176 3.786 3.960 0.003 0.000 0.192 164 G C 0.099 175.000 174.900 0.002 0.000 1.551 164 G CA 0.102 45.200 45.100 -0.004 0.000 1.320 164 G HN 0.102 nan 8.290 nan 0.000 0.432 165 V N 1.555 121.470 119.914 0.001 0.000 3.480 165 V HA 0.451 4.573 4.120 0.003 0.000 0.263 165 V C 0.590 176.694 176.094 0.017 0.000 1.442 165 V CA 1.268 63.572 62.300 0.007 0.000 1.053 165 V CB 0.167 31.988 31.823 -0.003 0.000 0.846 165 V HN 0.368 nan 8.190 nan 0.000 0.440 166 K N 1.066 121.478 120.400 0.020 0.000 2.205 166 K HA 0.583 4.905 4.320 0.003 0.000 0.279 166 K C 0.352 176.981 176.600 0.049 0.000 1.027 166 K CA 0.712 57.018 56.287 0.033 0.000 0.932 166 K CB 1.230 33.750 32.500 0.032 0.000 1.032 166 K HN 0.503 nan 8.250 nan 0.000 0.466 167 G N 1.795 110.628 108.800 0.056 0.000 2.447 167 G HA2 -0.216 3.746 3.960 0.003 0.000 0.220 167 G HA3 -0.216 3.746 3.960 0.003 0.000 0.220 167 G C -1.293 173.634 174.900 0.045 0.000 1.261 167 G CA -0.734 44.405 45.100 0.065 0.000 1.000 167 G HN 0.687 nan 8.290 nan 0.000 0.515 168 N N -0.360 118.363 118.700 0.039 0.000 2.471 168 N HA 0.359 5.101 4.740 0.003 0.000 0.288 168 N C 1.234 176.757 175.510 0.021 0.000 1.220 168 N CA -0.526 52.538 53.050 0.024 0.000 0.893 168 N CB 1.745 40.239 38.487 0.013 0.000 1.256 168 N HN 0.411 nan 8.380 nan 0.000 0.534 169 K N 0.309 120.719 120.400 0.016 0.000 2.242 169 K HA -0.156 4.166 4.320 0.003 0.000 0.206 169 K C -0.264 176.345 176.600 0.014 0.000 1.045 169 K CA 1.706 58.002 56.287 0.015 0.000 0.930 169 K CB -0.097 32.409 32.500 0.011 0.000 0.726 169 K HN 0.527 nan 8.250 nan 0.000 0.462 170 E N -2.159 118.045 120.200 0.008 0.000 2.440 170 E HA 0.506 4.858 4.350 0.003 0.000 0.263 170 E C -1.256 175.342 176.600 -0.003 0.000 0.938 170 E CA -0.839 55.563 56.400 0.003 0.000 0.831 170 E CB 0.934 30.629 29.700 -0.007 0.000 1.456 170 E HN -0.191 nan 8.360 nan 0.000 0.427 171 L N 0.828 122.042 121.223 -0.015 0.000 2.279 171 L HA 0.590 4.932 4.340 0.003 0.000 0.262 171 L C -2.306 174.488 176.870 -0.127 0.000 1.019 171 L CA -2.286 52.528 54.840 -0.044 0.000 0.823 171 L CB 0.840 42.914 42.059 0.025 0.000 1.358 171 L HN 0.389 nan 8.230 nan 0.000 0.432 172 P HA -0.004 nan 4.420 nan 0.000 0.266 172 P C -0.857 176.345 177.300 -0.162 0.000 1.193 172 P CA -0.092 62.802 63.100 -0.344 0.000 0.770 172 P CB 0.274 31.510 31.700 -0.775 0.000 0.836 173 D N 1.385 121.721 120.400 -0.107 0.000 2.458 173 D HA -0.042 4.601 4.640 0.003 0.000 0.243 173 D C 0.901 177.186 176.300 -0.025 0.000 1.146 173 D CA 0.297 54.267 54.000 -0.050 0.000 0.877 173 D CB 0.938 41.715 40.800 -0.038 0.000 1.176 173 D HN 0.337 nan 8.370 nan 0.000 0.461 174 S N 4.475 120.176 115.700 0.001 0.000 2.351 174 S HA -0.261 4.211 4.470 0.003 0.000 0.220 174 S C 1.748 176.368 174.600 0.033 0.000 1.035 174 S CA 1.028 59.247 58.200 0.031 0.000 1.031 174 S CB -0.295 62.922 63.200 0.027 0.000 0.928 174 S HN 0.526 nan 8.310 nan 0.000 0.433 175 K N 1.764 122.175 120.400 0.019 0.000 2.089 175 K HA -0.147 4.175 4.320 0.003 0.000 0.210 175 K C 2.088 178.698 176.600 0.017 0.000 1.048 175 K CA 2.079 58.377 56.287 0.018 0.000 0.926 175 K CB -0.736 31.769 32.500 0.009 0.000 0.714 175 K HN 0.645 nan 8.250 nan 0.000 0.448 176 E N -0.842 119.362 120.200 0.007 0.000 2.015 176 E HA -0.114 4.238 4.350 0.003 0.000 0.191 176 E C 1.827 178.438 176.600 0.020 0.000 0.991 176 E CA 1.543 57.944 56.400 0.002 0.000 0.802 176 E CB 0.022 29.711 29.700 -0.018 0.000 0.759 176 E HN 0.104 nan 8.360 nan 0.000 0.447 177 V N 2.267 122.203 119.914 0.037 0.000 2.324 177 V HA -0.293 3.829 4.120 0.003 0.000 0.250 177 V C 2.419 178.554 176.094 0.068 0.000 1.060 177 V CA 1.603 63.953 62.300 0.083 0.000 1.042 177 V CB -0.735 31.181 31.823 0.156 0.000 0.650 177 V HN 0.437 nan 8.190 nan 0.000 0.450 178 L N 0.247 121.508 121.223 0.063 0.000 1.990 178 L HA -0.257 4.085 4.340 0.003 0.000 0.213 178 L C 2.577 179.468 176.870 0.035 0.000 1.072 178 L CA 2.491 57.367 54.840 0.060 0.000 0.755 178 L CB -0.517 41.579 42.059 0.061 0.000 0.889 178 L HN 0.453 nan 8.230 nan 0.000 0.432 179 E N -0.280 119.935 120.200 0.024 0.000 2.028 179 E HA -0.211 4.141 4.350 0.003 0.000 0.190 179 E C 2.164 178.767 176.600 0.004 0.000 0.984 179 E CA 1.238 57.644 56.400 0.010 0.000 0.800 179 E CB 0.001 29.704 29.700 0.005 0.000 0.758 179 E HN 0.497 nan 8.360 nan 0.000 0.448 180 K N 0.382 120.787 120.400 0.008 0.000 1.991 180 K HA -0.142 4.180 4.320 0.003 0.000 0.212 180 K C 2.176 178.776 176.600 0.001 0.000 1.049 180 K CA 1.981 58.270 56.287 0.003 0.000 0.932 180 K CB -0.073 32.431 32.500 0.007 0.000 0.717 180 K HN 0.147 nan 8.250 nan 0.000 0.441 181 V N -2.102 117.818 119.914 0.010 0.000 3.643 181 V HA 0.136 4.258 4.120 0.003 0.000 0.280 181 V C 1.516 177.596 176.094 -0.023 0.000 1.351 181 V CA 0.208 62.505 62.300 -0.005 0.000 1.073 181 V CB -0.237 31.591 31.823 0.008 0.000 0.863 181 V HN 0.121 nan 8.190 nan 0.000 0.436 182 L N -0.259 120.956 121.223 -0.013 0.000 2.276 182 L HA 0.359 4.701 4.340 0.003 0.000 0.194 182 L C 1.041 177.902 176.870 -0.014 0.000 1.099 182 L CA 0.274 55.100 54.840 -0.023 0.000 0.800 182 L CB -0.111 41.943 42.059 -0.008 0.000 0.994 182 L HN 0.158 nan 8.230 nan 0.000 0.475 183 L N 1.581 122.805 121.223 0.002 0.000 2.573 183 L HA -0.099 4.243 4.340 0.003 0.000 0.290 183 L C 0.821 177.679 176.870 -0.018 0.000 1.247 183 L CA 0.330 55.170 54.840 -0.000 0.000 0.876 183 L CB -0.037 42.023 42.059 0.000 0.000 1.123 183 L HN 0.274 nan 8.230 nan 0.000 0.505 184 R N 3.335 123.823 120.500 -0.020 0.000 2.340 184 R HA 0.204 4.546 4.340 0.003 0.000 0.300 184 R C 0.376 176.657 176.300 -0.031 0.000 1.069 184 R CA -0.594 55.487 56.100 -0.033 0.000 0.984 184 R CB 0.877 31.162 30.300 -0.025 0.000 1.003 184 R HN 0.610 nan 8.270 nan 0.000 0.459 185 R N 2.715 123.194 120.500 -0.035 0.000 2.040 185 R HA 0.122 4.464 4.340 0.003 0.000 0.209 185 R C 0.165 176.452 176.300 -0.021 0.000 1.281 185 R CA 0.663 56.745 56.100 -0.030 0.000 1.064 185 R CB -0.380 29.900 30.300 -0.033 0.000 0.950 185 R HN 0.685 nan 8.270 nan 0.000 0.462 186 E N 0.792 120.979 120.200 -0.022 0.000 2.187 186 E HA 0.172 4.524 4.350 0.003 0.000 0.268 186 E C -1.319 175.290 176.600 0.014 0.000 0.896 186 E CA -0.770 55.632 56.400 0.005 0.000 0.766 186 E CB 1.286 30.981 29.700 -0.008 0.000 1.142 186 E HN -0.046 nan 8.360 nan 0.000 0.408 187 F N 5.799 125.702 119.950 -0.079 0.000 2.571 187 F HA 0.134 4.664 4.527 0.005 0.000 0.390 187 F C -0.679 175.073 175.800 -0.081 0.000 1.043 187 F CA 0.269 58.219 58.000 -0.084 0.000 1.164 187 F CB 0.156 39.099 39.000 -0.096 0.000 1.049 187 F HN 0.328 nan 8.300 nan 0.000 0.552 188 I N 9.278 129.376 120.570 -0.786 0.000 2.336 188 I HA 0.317 4.489 4.170 0.003 0.000 0.292 188 I C -2.034 173.451 176.117 -1.054 0.000 0.991 188 I CA -2.107 58.815 61.300 -0.630 0.000 1.227 188 I CB 1.279 39.041 38.000 -0.396 0.000 1.366 188 I HN 0.470 nan 8.210 nan 0.000 0.466 189 P HA 0.115 nan 4.420 nan 0.000 0.278 189 P C -1.142 175.982 177.300 -0.292 0.000 1.258 189 P CA -0.404 62.475 63.100 -0.368 0.000 0.811 189 P CB 1.089 32.822 31.700 0.055 0.000 1.063 190 D N 1.424 121.692 120.400 -0.220 0.000 2.348 190 D HA 0.091 4.733 4.640 0.003 0.000 0.253 190 D C -1.315 174.861 176.300 -0.206 0.000 1.161 190 D CA -2.188 51.658 54.000 -0.257 0.000 0.876 190 D CB 0.391 41.015 40.800 -0.294 0.000 1.160 190 D HN 0.162 nan 8.370 nan 0.000 0.459 191 P HA -0.097 nan 4.420 nan 0.000 0.242 191 P C 0.545 177.735 177.300 -0.183 0.000 1.197 191 P CA 0.777 63.773 63.100 -0.173 0.000 0.765 191 P CB 0.376 31.974 31.700 -0.170 0.000 0.936 192 Q N -1.183 118.474 119.800 -0.238 0.000 2.396 192 Q HA 0.190 4.532 4.340 0.003 0.000 0.209 192 Q C 1.289 177.177 176.000 -0.186 0.000 0.906 192 Q CA 0.772 56.414 55.803 -0.267 0.000 0.927 192 Q CB 0.190 28.685 28.738 -0.406 0.000 1.069 192 Q HN 0.302 nan 8.270 nan 0.000 0.523 193 G N 0.955 109.678 108.800 -0.128 0.000 2.179 193 G HA2 -0.218 3.744 3.960 0.003 0.000 0.220 193 G HA3 -0.218 3.744 3.960 0.003 0.000 0.220 193 G C 0.065 174.961 174.900 -0.008 0.000 0.990 193 G CA 0.091 45.172 45.100 -0.032 0.000 0.646 193 G HN 0.222 nan 8.290 nan 0.000 0.517 194 S N 2.029 117.658 115.700 -0.119 0.000 2.629 194 S HA 0.292 4.764 4.470 0.003 0.000 0.302 194 S C 1.101 175.596 174.600 -0.176 0.000 1.244 194 S CA 0.621 58.613 58.200 -0.347 0.000 1.098 194 S CB 0.285 63.005 63.200 -0.800 0.000 0.858 194 S HN 0.902 nan 8.310 nan 0.000 0.502 195 N N 2.970 121.638 118.700 -0.053 0.000 2.460 195 N HA 0.288 5.030 4.740 0.003 0.000 0.296 195 N C 0.770 176.322 175.510 0.070 0.000 1.319 195 N CA -0.588 52.484 53.050 0.036 0.000 0.945 195 N CB -0.195 38.343 38.487 0.086 0.000 1.096 195 N HN 0.301 nan 8.380 nan 0.000 0.538 196 M N -1.292 118.336 119.600 0.047 0.000 2.388 196 M HA 0.271 4.753 4.480 0.003 0.000 0.265 196 M C 1.778 178.174 176.300 0.161 0.000 1.088 196 M CA 0.814 56.044 55.300 -0.116 0.000 1.134 196 M CB -0.942 31.343 32.600 -0.525 0.000 1.384 196 M HN 0.648 nan 8.290 nan 0.000 0.447 197 M N -0.962 118.863 119.600 0.374 0.000 2.086 197 M HA -0.187 4.295 4.480 0.003 0.000 0.261 197 M C 1.843 178.616 176.300 0.789 0.000 1.067 197 M CA 1.736 57.376 55.300 0.568 0.000 1.116 197 M CB -0.558 32.302 32.600 0.434 0.000 1.348 197 M HN 0.298 nan 8.290 nan 0.000 0.407 198 F N 0.353 120.585 119.950 0.470 0.000 2.039 198 F HA -0.064 4.465 4.527 0.003 0.000 0.294 198 F C 2.180 178.120 175.800 0.232 0.000 1.130 198 F CA 1.806 59.929 58.000 0.204 0.000 1.189 198 F CB -1.205 37.767 39.000 -0.045 0.000 0.983 198 F HN 0.152 nan 8.300 nan 0.000 0.471 199 A N 0.255 123.479 122.820 0.673 0.000 1.940 199 A HA -0.261 4.061 4.320 0.003 0.000 0.221 199 A C 2.147 179.885 177.584 0.257 0.000 1.190 199 A CA 2.237 54.512 52.037 0.396 0.000 0.647 199 A CB -1.649 17.411 19.000 0.100 0.000 0.821 199 A HN 0.487 nan 8.150 nan 0.000 0.457 200 F N -1.872 118.282 119.950 0.339 0.000 2.206 200 F HA 0.016 4.545 4.527 0.004 0.000 0.298 200 F C 1.956 178.024 175.800 0.447 0.000 1.090 200 F CA 0.486 58.684 58.000 0.330 0.000 1.323 200 F CB -0.977 38.200 39.000 0.294 0.000 1.028 200 F HN 0.330 nan 8.300 nan 0.000 0.492 201 F N 0.864 121.196 119.950 0.636 0.000 2.069 201 F HA -0.228 4.301 4.527 0.003 0.000 0.298 201 F C 2.421 178.299 175.800 0.131 0.000 1.113 201 F CA 1.757 59.860 58.000 0.173 0.000 1.214 201 F CB -0.707 38.322 39.000 0.049 0.000 0.978 201 F HN -0.082 nan 8.300 nan 0.000 0.474 202 A N -0.534 122.536 122.820 0.416 0.000 2.024 202 A HA -0.269 4.053 4.320 0.003 0.000 0.220 202 A C 2.178 179.903 177.584 0.235 0.000 1.164 202 A CA 1.833 54.110 52.037 0.401 0.000 0.643 202 A CB -0.945 18.259 19.000 0.341 0.000 0.806 202 A HN 0.662 nan 8.150 nan 0.000 0.451 203 Q N -1.345 118.570 119.800 0.192 0.000 2.020 203 Q HA -0.225 4.117 4.340 0.003 0.000 0.198 203 Q C 2.047 177.989 176.000 -0.097 0.000 0.974 203 Q CA 1.741 57.538 55.803 -0.009 0.000 0.829 203 Q CB -0.288 28.447 28.738 -0.005 0.000 0.894 203 Q HN 0.835 nan 8.270 nan 0.000 0.433 204 H N -0.105 118.858 119.070 -0.178 0.000 2.253 204 H HA -0.206 4.352 4.556 0.003 0.000 0.296 204 H C 1.678 177.008 175.328 0.004 0.000 1.074 204 H CA 2.329 58.247 56.048 -0.218 0.000 1.263 204 H CB -0.836 28.751 29.762 -0.292 0.000 1.363 204 H HN 0.349 nan 8.280 nan 0.000 0.489 205 F N 1.295 121.055 119.950 -0.316 0.000 2.015 205 F HA -0.319 4.210 4.527 0.003 0.000 0.297 205 F C 2.829 178.213 175.800 -0.693 0.000 1.141 205 F CA 3.128 60.846 58.000 -0.470 0.000 1.192 205 F CB -1.277 37.424 39.000 -0.498 0.000 0.957 205 F HN 0.416 nan 8.300 nan 0.000 0.491 206 T N -2.674 111.405 114.554 -0.792 0.000 2.977 206 T HA -0.241 4.111 4.350 0.003 0.000 0.271 206 T C 1.459 175.463 174.700 -1.161 0.000 1.105 206 T CA 1.766 62.947 62.100 -1.531 0.000 1.116 206 T CB -1.001 67.347 68.868 -0.866 0.000 0.878 206 T HN 0.474 nan 8.240 nan 0.000 0.509 207 H N 1.557 120.284 119.070 -0.573 0.000 2.556 207 H HA 0.142 4.700 4.556 0.003 0.000 0.268 207 H C 2.362 177.533 175.328 -0.261 0.000 0.996 207 H CA 0.926 56.848 56.048 -0.209 0.000 1.157 207 H CB -0.151 29.730 29.762 0.200 0.000 1.355 207 H HN 0.791 nan 8.280 nan 0.000 0.597 208 Q N -0.440 119.037 119.800 -0.538 0.000 2.259 208 Q HA -0.035 4.307 4.340 0.003 0.000 0.201 208 Q C 1.020 176.765 176.000 -0.425 0.000 0.938 208 Q CA 0.751 56.238 55.803 -0.526 0.000 0.872 208 Q CB -0.235 27.963 28.738 -0.900 0.000 0.971 208 Q HN 0.478 nan 8.270 nan 0.000 0.494 209 F N -0.830 118.745 119.950 -0.625 0.000 2.530 209 F HA 0.390 4.919 4.527 0.003 0.000 0.292 209 F C 0.159 175.686 175.800 -0.456 0.000 1.109 209 F CA -0.830 56.808 58.000 -0.604 0.000 1.450 209 F CB -0.100 38.470 39.000 -0.716 0.000 1.114 209 F HN -0.201 nan 8.300 nan 0.000 0.560 210 F N 2.690 122.434 119.950 -0.344 0.000 2.371 210 F HA 0.524 5.053 4.527 0.004 0.000 0.363 210 F C 0.049 175.684 175.800 -0.274 0.000 1.122 210 F CA -1.594 56.250 58.000 -0.260 0.000 1.129 210 F CB 0.979 39.674 39.000 -0.508 0.000 1.173 210 F HN -0.076 nan 8.300 nan 0.000 0.489 211 K N 1.720 122.170 120.400 0.083 0.000 3.306 211 K HA 0.148 4.470 4.320 0.003 0.000 0.169 211 K C -0.479 176.124 176.600 0.004 0.000 1.110 211 K CA -0.330 55.948 56.287 -0.015 0.000 0.783 211 K CB 0.905 33.355 32.500 -0.084 0.000 0.958 211 K HN 0.434 nan 8.250 nan 0.000 0.581 212 T N 1.437 116.014 114.554 0.038 0.000 2.923 212 T HA -0.108 4.244 4.350 0.003 0.000 0.304 212 T C 0.269 174.791 174.700 -0.296 0.000 1.044 212 T CA 0.613 62.674 62.100 -0.065 0.000 1.141 212 T CB 0.223 68.977 68.868 -0.191 0.000 1.023 212 T HN 0.252 nan 8.240 nan 0.000 0.533 213 D N 1.195 121.510 120.400 -0.142 0.000 2.564 213 D HA 0.142 4.784 4.640 0.003 0.000 0.226 213 D C 0.999 177.235 176.300 -0.107 0.000 1.149 213 D CA -0.400 53.535 54.000 -0.110 0.000 0.994 213 D CB -0.119 40.658 40.800 -0.039 0.000 1.029 213 D HN 0.602 nan 8.370 nan 0.000 0.517 214 H N 1.182 120.294 119.070 0.070 0.000 2.426 214 H HA -0.149 4.409 4.556 0.003 0.000 0.298 214 H C 1.839 177.180 175.328 0.023 0.000 1.107 214 H CA 1.472 57.557 56.048 0.061 0.000 1.298 214 H CB 0.473 30.265 29.762 0.050 0.000 1.377 214 H HN 0.255 nan 8.280 nan 0.000 0.519 215 K N 0.681 121.129 120.400 0.080 0.000 2.209 215 K HA -0.109 4.213 4.320 0.003 0.000 0.204 215 K C 1.991 178.554 176.600 -0.062 0.000 1.048 215 K CA 1.057 57.352 56.287 0.013 0.000 0.940 215 K CB -0.059 32.432 32.500 -0.014 0.000 0.729 215 K HN 0.223 nan 8.250 nan 0.000 0.451 216 R N 0.391 120.805 120.500 -0.143 0.000 2.105 216 R HA 0.125 4.467 4.340 0.003 0.000 0.214 216 R C 0.498 176.703 176.300 -0.158 0.000 1.091 216 R CA 1.138 57.006 56.100 -0.386 0.000 1.007 216 R CB 0.420 30.192 30.300 -0.881 0.000 0.912 216 R HN 0.418 nan 8.270 nan 0.000 0.450 217 G N -0.963 107.894 108.800 0.095 0.000 2.339 217 G HA2 0.002 3.964 3.960 0.003 0.000 0.381 217 G HA3 0.002 3.964 3.960 0.003 0.000 0.381 217 G C -2.987 172.131 174.900 0.363 0.000 1.400 217 G CA -0.896 44.367 45.100 0.271 0.000 1.002 217 G HN -0.025 nan 8.290 nan 0.000 0.633 218 P HA 0.448 nan 4.420 nan 0.000 0.274 218 P C 1.058 178.491 177.300 0.221 0.000 1.237 218 P CA 1.594 64.813 63.100 0.198 0.000 0.793 218 P CB 1.278 33.036 31.700 0.097 0.000 0.977 219 G N 0.378 109.313 108.800 0.225 0.000 2.232 219 G HA2 -0.209 3.753 3.960 0.003 0.000 0.226 219 G HA3 -0.209 3.753 3.960 0.003 0.000 0.226 219 G C -0.313 174.765 174.900 0.298 0.000 0.996 219 G CA -0.438 44.767 45.100 0.175 0.000 0.626 219 G HN 0.424 nan 8.290 nan 0.000 0.509 220 F N 1.784 121.949 119.950 0.359 0.000 2.427 220 F HA 0.675 5.205 4.527 0.004 0.000 0.346 220 F C 0.715 176.467 175.800 -0.079 0.000 1.120 220 F CA -0.017 58.068 58.000 0.142 0.000 1.033 220 F CB 2.172 41.242 39.000 0.116 0.000 1.126 220 F HN 0.035 nan 8.300 nan 0.000 0.462 221 T N 2.828 117.156 114.554 -0.376 0.000 2.928 221 T HA 0.327 4.679 4.350 0.003 0.000 0.284 221 T C 0.895 175.468 174.700 -0.212 0.000 1.008 221 T CA -0.674 61.081 62.100 -0.575 0.000 1.057 221 T CB 0.942 69.129 68.868 -1.135 0.000 1.018 221 T HN 0.840 nan 8.240 nan 0.000 0.493 222 R N 1.898 122.301 120.500 -0.162 0.000 2.437 222 R HA 0.285 4.627 4.340 0.003 0.000 0.257 222 R C 0.805 177.033 176.300 -0.121 0.000 0.927 222 R CA -0.166 55.869 56.100 -0.108 0.000 1.078 222 R CB 0.032 30.282 30.300 -0.084 0.000 1.161 222 R HN 0.575 nan 8.270 nan 0.000 0.529 223 G N 2.002 110.699 108.800 -0.171 0.000 3.286 223 G HA2 0.294 4.256 3.960 0.003 0.000 0.303 223 G HA3 0.294 4.256 3.960 0.003 0.000 0.303 223 G C 0.525 175.353 174.900 -0.120 0.000 0.974 223 G CA -0.586 44.419 45.100 -0.159 0.000 1.635 223 G HN 0.147 nan 8.290 nan 0.000 0.535 224 L N 1.413 122.614 121.223 -0.035 0.000 2.549 224 L HA -0.010 4.332 4.340 0.003 0.000 0.230 224 L C 2.672 179.618 176.870 0.126 0.000 1.162 224 L CA 0.800 55.691 54.840 0.086 0.000 0.834 224 L CB 0.091 42.141 42.059 -0.015 0.000 0.947 224 L HN 0.499 nan 8.230 nan 0.000 0.452 225 G N -2.096 106.719 108.800 0.025 0.000 2.484 225 G HA2 -0.168 3.794 3.960 0.003 0.000 0.218 225 G HA3 -0.168 3.794 3.960 0.003 0.000 0.218 225 G C 0.683 175.594 174.900 0.019 0.000 1.130 225 G CA 0.033 45.121 45.100 -0.020 0.000 0.784 225 G HN 0.645 nan 8.290 nan 0.000 0.543 226 H N -0.523 118.434 119.070 -0.188 0.000 2.776 226 H HA -0.181 4.377 4.556 0.003 0.000 0.300 226 H C 1.099 176.242 175.328 -0.308 0.000 1.161 226 H CA 0.558 56.476 56.048 -0.218 0.000 1.147 226 H CB -1.295 28.349 29.762 -0.197 0.000 1.366 226 H HN 0.748 nan 8.280 nan 0.000 0.397 227 G N -1.436 107.192 108.800 -0.286 0.000 2.340 227 G HA2 0.279 4.241 3.960 0.003 0.000 0.299 227 G HA3 0.279 4.241 3.960 0.003 0.000 0.299 227 G C -0.598 174.055 174.900 -0.412 0.000 1.291 227 G CA -0.331 44.480 45.100 -0.482 0.000 0.841 227 G HN 0.130 nan 8.290 nan 0.000 0.500 228 V N 2.128 121.798 119.914 -0.407 0.000 2.220 228 V HA 0.157 4.279 4.120 0.003 0.000 0.236 228 V C 0.666 176.652 176.094 -0.181 0.000 1.314 228 V CA 1.172 63.318 62.300 -0.256 0.000 1.349 228 V CB -0.453 31.275 31.823 -0.158 0.000 1.428 228 V HN 0.737 nan 8.190 nan 0.000 0.495 229 D N 2.421 122.703 120.400 -0.198 0.000 2.395 229 D HA 0.057 4.699 4.640 0.003 0.000 0.213 229 D C 0.929 177.164 176.300 -0.108 0.000 1.110 229 D CA -0.462 53.461 54.000 -0.129 0.000 0.835 229 D CB -0.010 40.724 40.800 -0.109 0.000 0.965 229 D HN 0.344 nan 8.370 nan 0.000 0.505 230 L N 0.685 121.766 121.223 -0.237 0.000 3.781 230 L HA -0.350 3.992 4.340 0.003 0.000 0.426 230 L C 1.163 178.028 176.870 -0.008 0.000 1.197 230 L CA 0.725 55.446 54.840 -0.198 0.000 0.907 230 L CB -2.235 39.846 42.059 0.036 0.000 1.812 230 L HN 0.310 nan 8.230 nan 0.000 0.956 231 N N 0.947 119.551 118.700 -0.161 0.000 2.244 231 N HA -0.200 4.542 4.740 0.003 0.000 0.183 231 N C 1.727 177.205 175.510 -0.053 0.000 1.016 231 N CA 1.911 54.924 53.050 -0.062 0.000 0.866 231 N CB -0.367 38.044 38.487 -0.126 0.000 0.980 231 N HN 0.765 nan 8.380 nan 0.000 0.430 232 H N -1.287 117.612 119.070 -0.284 0.000 2.456 232 H HA 0.051 4.609 4.556 0.003 0.000 0.296 232 H C 1.656 176.773 175.328 -0.351 0.000 1.079 232 H CA 0.973 56.767 56.048 -0.423 0.000 1.322 232 H CB -0.125 29.319 29.762 -0.531 0.000 1.388 232 H HN 0.270 nan 8.280 nan 0.000 0.538 233 I N 0.078 120.633 120.570 -0.026 0.000 2.429 233 I HA -0.152 4.020 4.170 0.003 0.000 0.247 233 I C 1.387 177.265 176.117 -0.399 0.000 1.099 233 I CA 0.695 61.789 61.300 -0.343 0.000 1.422 233 I CB -0.094 37.526 38.000 -0.635 0.000 1.112 233 I HN 0.169 nan 8.210 nan 0.000 0.430 234 Y N 1.226 121.522 120.300 -0.005 0.000 2.510 234 Y HA 0.386 4.938 4.550 0.003 0.000 0.273 234 Y C 1.194 177.089 175.900 -0.008 0.000 1.119 234 Y CA 0.242 58.350 58.100 0.013 0.000 1.286 234 Y CB -0.077 38.421 38.460 0.063 0.000 1.061 234 Y HN 0.185 nan 8.280 nan 0.000 0.542 235 G N 0.329 109.169 108.800 0.067 0.000 2.770 235 G HA2 -0.142 3.820 3.960 0.003 0.000 0.686 235 G HA3 -0.142 3.820 3.960 0.003 0.000 0.686 235 G C -0.182 174.714 174.900 -0.007 0.000 1.180 235 G CA -0.584 44.520 45.100 0.007 0.000 0.767 235 G HN 0.082 nan 8.290 nan 0.000 0.646 236 E N -0.373 119.799 120.200 -0.047 0.000 2.072 236 E HA 0.116 4.468 4.350 0.003 0.000 0.191 236 E C 1.995 178.564 176.600 -0.051 0.000 0.985 236 E CA 1.991 58.355 56.400 -0.059 0.000 0.801 236 E CB -0.001 29.656 29.700 -0.072 0.000 0.750 236 E HN 1.048 nan 8.360 nan 0.000 0.452 237 T N -2.168 112.356 114.554 -0.051 0.000 2.932 237 T HA 0.271 4.623 4.350 0.003 0.000 0.289 237 T C 0.905 175.550 174.700 -0.093 0.000 1.039 237 T CA -0.907 61.155 62.100 -0.064 0.000 1.024 237 T CB 1.306 70.140 68.868 -0.057 0.000 1.090 237 T HN -0.044 nan 8.240 nan 0.000 0.496 238 L N 0.730 121.870 121.223 -0.138 0.000 2.131 238 L HA -0.044 4.298 4.340 0.003 0.000 0.210 238 L C 1.862 178.540 176.870 -0.319 0.000 1.092 238 L CA 2.526 57.195 54.840 -0.285 0.000 0.759 238 L CB -1.168 40.732 42.059 -0.265 0.000 0.903 238 L HN 1.005 nan 8.230 nan 0.000 0.435 239 D N -0.265 120.055 120.400 -0.133 0.000 2.117 239 D HA -0.256 4.386 4.640 0.003 0.000 0.197 239 D C 2.345 178.643 176.300 -0.004 0.000 0.987 239 D CA 1.386 55.366 54.000 -0.034 0.000 0.829 239 D CB 0.031 40.824 40.800 -0.012 0.000 0.961 239 D HN 0.236 nan 8.370 nan 0.000 0.460 240 R N -0.171 120.311 120.500 -0.029 0.000 2.062 240 R HA -0.181 4.161 4.340 0.003 0.000 0.231 240 R C 2.521 178.821 176.300 0.000 0.000 1.136 240 R CA 1.753 57.847 56.100 -0.009 0.000 0.948 240 R CB -0.339 29.948 30.300 -0.022 0.000 0.845 240 R HN 0.327 nan 8.270 nan 0.000 0.430 241 Q N -0.732 119.050 119.800 -0.030 0.000 2.197 241 Q HA -0.232 4.110 4.340 0.003 0.000 0.207 241 Q C 1.403 177.406 176.000 0.005 0.000 0.984 241 Q CA 1.927 57.730 55.803 0.001 0.000 0.869 241 Q CB -0.273 28.449 28.738 -0.027 0.000 0.906 241 Q HN 0.470 nan 8.270 nan 0.000 0.426 242 H N 0.696 119.741 119.070 -0.041 0.000 2.428 242 H HA 0.082 4.640 4.556 0.003 0.000 0.296 242 H C 1.346 176.645 175.328 -0.048 0.000 1.062 242 H CA 1.358 57.400 56.048 -0.010 0.000 1.350 242 H CB 0.172 30.048 29.762 0.189 0.000 1.403 242 H HN 0.400 nan 8.280 nan 0.000 0.533 243 K N 0.337 120.799 120.400 0.103 0.000 2.439 243 K HA 0.036 4.358 4.320 0.003 0.000 0.197 243 K C 1.426 178.022 176.600 -0.005 0.000 1.041 243 K CA 0.435 56.752 56.287 0.051 0.000 0.970 243 K CB 0.349 32.877 32.500 0.045 0.000 0.773 243 K HN 0.233 nan 8.250 nan 0.000 0.479 244 L N -0.330 120.875 121.223 -0.029 0.000 2.556 244 L HA 0.134 4.476 4.340 0.003 0.000 0.226 244 L C 1.055 177.875 176.870 -0.084 0.000 1.089 244 L CA -0.170 54.651 54.840 -0.032 0.000 0.864 244 L CB 0.219 42.284 42.059 0.009 0.000 1.067 244 L HN -0.000 nan 8.230 nan 0.000 0.477 245 R N 0.690 121.043 120.500 -0.245 0.000 2.404 245 R HA 0.166 4.508 4.340 0.003 0.000 0.291 245 R C 0.760 176.763 176.300 -0.494 0.000 1.025 245 R CA -0.316 55.533 56.100 -0.419 0.000 0.991 245 R CB 1.522 31.342 30.300 -0.800 0.000 1.053 245 R HN -0.051 nan 8.270 nan 0.000 0.479 246 L N 4.279 125.363 121.223 -0.231 0.000 2.341 246 L HA 0.141 4.483 4.340 0.003 0.000 0.214 246 L C -0.353 176.539 176.870 0.036 0.000 1.115 246 L CA 0.903 55.698 54.840 -0.075 0.000 0.820 246 L CB -0.109 41.977 42.059 0.045 0.000 0.944 246 L HN 0.763 nan 8.230 nan 0.000 0.452 247 F N 0.743 120.724 119.950 0.051 0.000 2.688 247 F HA -0.224 4.305 4.527 0.003 0.000 0.276 247 F C 0.451 176.282 175.800 0.051 0.000 1.034 247 F CA 1.236 59.245 58.000 0.015 0.000 0.991 247 F CB -1.623 37.343 39.000 -0.057 0.000 1.119 247 F HN 0.331 nan 8.300 nan 0.000 0.837 248 K N 1.447 121.993 120.400 0.243 0.000 2.535 248 K HA 0.209 4.531 4.320 0.003 0.000 0.310 248 K C -0.110 176.611 176.600 0.203 0.000 1.178 248 K CA -0.219 56.182 56.287 0.191 0.000 1.052 248 K CB 0.652 33.243 32.500 0.152 0.000 1.364 248 K HN 0.256 nan 8.250 nan 0.000 0.475 249 D N 2.736 123.257 120.400 0.203 0.000 3.059 249 D HA -0.222 4.420 4.640 0.003 0.000 0.220 249 D C 0.692 177.149 176.300 0.263 0.000 1.169 249 D CA 1.692 55.819 54.000 0.210 0.000 0.902 249 D CB -1.039 39.864 40.800 0.172 0.000 1.116 249 D HN 1.131 nan 8.370 nan 0.000 0.417 250 G N 0.210 109.202 108.800 0.320 0.000 2.220 250 G HA2 -0.403 3.559 3.960 0.003 0.000 0.269 250 G HA3 -0.403 3.559 3.960 0.003 0.000 0.269 250 G C 0.397 175.620 174.900 0.538 0.000 0.977 250 G CA 1.028 46.401 45.100 0.455 0.000 0.634 250 G HN 0.485 nan 8.290 nan 0.000 0.539 251 K N 0.166 120.801 120.400 0.390 0.000 2.469 251 K HA 0.364 4.686 4.320 0.003 0.000 0.274 251 K C 0.630 177.431 176.600 0.335 0.000 0.983 251 K CA -0.517 56.009 56.287 0.399 0.000 0.974 251 K CB 0.553 33.240 32.500 0.312 0.000 0.913 251 K HN 0.056 nan 8.250 nan 0.000 0.493 252 L N 2.645 124.047 121.223 0.297 0.000 2.418 252 L HA 0.180 4.522 4.340 0.003 0.000 0.265 252 L C 0.445 177.429 176.870 0.189 0.000 1.143 252 L CA 0.011 54.936 54.840 0.143 0.000 0.809 252 L CB 0.982 43.051 42.059 0.016 0.000 1.124 252 L HN 0.541 nan 8.230 nan 0.000 0.456 253 K N 2.077 122.526 120.400 0.081 0.000 2.319 253 K HA 0.307 4.629 4.320 0.003 0.000 0.265 253 K C -0.991 175.687 176.600 0.131 0.000 1.000 253 K CA 0.228 56.538 56.287 0.038 0.000 0.943 253 K CB 0.564 33.041 32.500 -0.039 0.000 0.950 253 K HN 0.501 nan 8.250 nan 0.000 0.485 254 Y N -1.427 118.854 120.300 -0.032 0.000 2.871 254 Y HA 0.317 4.869 4.550 0.003 0.000 0.331 254 Y C -1.896 173.972 175.900 -0.053 0.000 1.378 254 Y CA -1.258 56.808 58.100 -0.057 0.000 1.079 254 Y CB 0.819 39.250 38.460 -0.049 0.000 1.441 254 Y HN 0.603 nan 8.280 nan 0.000 0.446 255 Q N 0.474 120.375 119.800 0.168 0.000 2.418 255 Q HA 0.744 5.086 4.340 0.003 0.000 0.282 255 Q C -2.281 173.849 176.000 0.217 0.000 1.044 255 Q CA -1.275 54.568 55.803 0.068 0.000 0.813 255 Q CB 2.969 31.695 28.738 -0.020 0.000 1.428 255 Q HN 0.633 nan 8.270 nan 0.000 0.402 256 V N 3.236 123.249 119.914 0.165 0.000 2.311 256 V HA 0.394 4.516 4.120 0.003 0.000 0.275 256 V C -0.278 175.910 176.094 0.157 0.000 1.022 256 V CA -0.377 62.027 62.300 0.173 0.000 0.830 256 V CB 0.696 32.605 31.823 0.143 0.000 1.012 256 V HN 0.677 nan 8.190 nan 0.000 0.452 257 I N 4.384 125.106 120.570 0.253 0.000 2.392 257 I HA 0.629 4.801 4.170 0.003 0.000 0.295 257 I C 1.335 177.564 176.117 0.188 0.000 0.985 257 I CA 0.647 62.054 61.300 0.179 0.000 1.221 257 I CB 1.494 39.553 38.000 0.098 0.000 1.366 257 I HN 0.798 nan 8.210 nan 0.000 0.467 258 G N 4.818 113.680 108.800 0.103 0.000 2.602 258 G HA2 -0.302 3.660 3.960 0.003 0.000 0.310 258 G HA3 -0.302 3.660 3.960 0.003 0.000 0.310 258 G C 0.797 175.749 174.900 0.087 0.000 1.183 258 G CA 0.356 45.508 45.100 0.087 0.000 0.979 258 G HN 0.992 nan 8.290 nan 0.000 0.545 259 G N -0.099 108.754 108.800 0.089 0.000 3.441 259 G HA2 0.521 4.483 3.960 0.003 0.000 0.263 259 G HA3 0.521 4.483 3.960 0.003 0.000 0.263 259 G C 0.183 175.111 174.900 0.047 0.000 1.014 259 G CA 0.772 45.907 45.100 0.059 0.000 0.833 259 G HN 0.561 nan 8.290 nan 0.000 0.514 260 E N 0.111 120.362 120.200 0.085 0.000 2.222 260 E HA 0.492 4.844 4.350 0.003 0.000 0.267 260 E C -0.629 175.903 176.600 -0.114 0.000 0.963 260 E CA -0.759 55.617 56.400 -0.041 0.000 0.837 260 E CB 2.570 32.234 29.700 -0.061 0.000 1.183 260 E HN -0.133 nan 8.360 nan 0.000 0.403 261 V N 2.280 121.992 119.914 -0.335 0.000 2.546 261 V HA 0.274 4.396 4.120 0.003 0.000 0.284 261 V C -0.940 174.760 176.094 -0.657 0.000 1.050 261 V CA -0.021 62.096 62.300 -0.305 0.000 0.981 261 V CB 0.144 31.756 31.823 -0.353 0.000 0.990 261 V HN 0.499 nan 8.190 nan 0.000 0.474 262 Y N 3.551 123.810 120.300 -0.068 0.000 2.597 262 Y HA 0.457 5.009 4.550 0.003 0.000 0.340 262 Y C -2.406 173.325 175.900 -0.281 0.000 1.097 262 Y CA -2.458 55.520 58.100 -0.204 0.000 1.037 262 Y CB 2.032 40.303 38.460 -0.315 0.000 1.305 262 Y HN 0.427 nan 8.280 nan 0.000 0.463 263 P HA 0.014 nan 4.420 nan 0.000 0.268 263 P C -2.522 174.577 177.300 -0.336 0.000 1.208 263 P CA -0.560 62.409 63.100 -0.218 0.000 0.777 263 P CB 0.076 31.683 31.700 -0.155 0.000 0.875 264 P HA 0.060 nan 4.420 nan 0.000 0.276 264 P C -0.525 176.724 177.300 -0.084 0.000 1.261 264 P CA -0.101 62.928 63.100 -0.117 0.000 0.800 264 P CB 0.197 31.862 31.700 -0.059 0.000 1.066 265 T N -2.373 112.157 114.554 -0.040 0.000 2.913 265 T HA 0.117 4.469 4.350 0.003 0.000 0.297 265 T C 1.479 176.208 174.700 0.048 0.000 1.029 265 T CA -0.609 61.507 62.100 0.027 0.000 1.104 265 T CB 0.137 69.017 68.868 0.019 0.000 0.964 265 T HN 0.105 nan 8.240 nan 0.000 0.532 266 V N 2.048 122.014 119.914 0.086 0.000 2.490 266 V HA -0.119 4.003 4.120 0.003 0.000 0.250 266 V C 2.828 178.951 176.094 0.049 0.000 1.061 266 V CA 1.829 64.180 62.300 0.086 0.000 1.064 266 V CB -0.745 31.153 31.823 0.125 0.000 0.670 266 V HN 0.994 nan 8.190 nan 0.000 0.461 267 K N 0.045 120.465 120.400 0.034 0.000 2.032 267 K HA -0.278 4.044 4.320 0.003 0.000 0.209 267 K C 1.899 178.507 176.600 0.013 0.000 1.048 267 K CA 2.448 58.746 56.287 0.018 0.000 0.927 267 K CB -0.249 32.257 32.500 0.009 0.000 0.712 267 K HN 0.614 nan 8.250 nan 0.000 0.441 268 D N -0.595 119.811 120.400 0.008 0.000 2.077 268 D HA -0.142 4.500 4.640 0.003 0.000 0.197 268 D C 1.842 178.146 176.300 0.006 0.000 0.983 268 D CA 2.731 56.732 54.000 0.001 0.000 0.841 268 D CB -0.208 40.583 40.800 -0.014 0.000 0.992 268 D HN 0.335 nan 8.370 nan 0.000 0.450 269 T N -3.162 111.396 114.554 0.008 0.000 2.881 269 T HA -0.165 4.187 4.350 0.003 0.000 0.270 269 T C 1.390 176.103 174.700 0.023 0.000 1.068 269 T CA 1.563 63.671 62.100 0.013 0.000 1.131 269 T CB -0.346 68.529 68.868 0.011 0.000 0.871 269 T HN 0.378 nan 8.240 nan 0.000 0.479 270 Q N -0.457 119.358 119.800 0.026 0.000 2.324 270 Q HA -0.169 4.173 4.340 0.003 0.000 0.200 270 Q C 0.173 176.191 176.000 0.030 0.000 0.645 270 Q CA 0.742 56.561 55.803 0.027 0.000 1.377 270 Q CB -2.378 26.375 28.738 0.024 0.000 1.486 270 Q HN 0.958 nan 8.270 nan 0.000 0.796 271 V N -0.203 119.731 119.914 0.033 0.000 2.572 271 V HA 0.263 4.385 4.120 0.003 0.000 0.291 271 V C 0.433 176.548 176.094 0.034 0.000 1.039 271 V CA -0.156 62.161 62.300 0.028 0.000 1.055 271 V CB 1.305 33.142 31.823 0.023 0.000 0.969 271 V HN 0.215 nan 8.190 nan 0.000 0.482 272 E N 5.825 126.036 120.200 0.019 0.000 2.360 272 E HA 0.385 4.737 4.350 0.003 0.000 0.269 272 E C -0.321 176.283 176.600 0.006 0.000 1.022 272 E CA -0.196 56.215 56.400 0.018 0.000 0.887 272 E CB 0.920 30.622 29.700 0.003 0.000 0.990 272 E HN 0.643 nan 8.360 nan 0.000 0.426 273 M N 2.005 121.615 119.600 0.016 0.000 2.631 273 M HA 0.427 4.909 4.480 0.003 0.000 0.288 273 M C -0.711 175.520 176.300 -0.114 0.000 1.260 273 M CA -0.783 54.481 55.300 -0.059 0.000 0.842 273 M CB 1.813 34.407 32.600 -0.009 0.000 1.743 273 M HN 0.412 nan 8.290 nan 0.000 0.461 274 I N 2.042 122.450 120.570 -0.270 0.000 2.297 274 I HA 0.302 4.474 4.170 0.003 0.000 0.291 274 I C -1.472 174.399 176.117 -0.410 0.000 1.033 274 I CA -0.257 60.902 61.300 -0.236 0.000 1.253 274 I CB 0.261 38.166 38.000 -0.160 0.000 1.396 274 I HN 0.412 nan 8.210 nan 0.000 0.476 275 Y N 5.896 126.133 120.300 -0.104 0.000 2.479 275 Y HA 0.403 4.955 4.550 0.003 0.000 0.338 275 Y C -2.364 173.377 175.900 -0.264 0.000 1.055 275 Y CA -2.697 55.303 58.100 -0.167 0.000 1.023 275 Y CB 1.625 40.014 38.460 -0.118 0.000 1.287 275 Y HN 0.418 nan 8.280 nan 0.000 0.447 276 P HA 0.098 nan 4.420 nan 0.000 0.268 276 P C -1.872 175.163 177.300 -0.441 0.000 1.204 276 P CA -1.040 61.775 63.100 -0.474 0.000 0.768 276 P CB 0.590 31.773 31.700 -0.861 0.000 0.842 277 P HA -0.250 nan 4.420 nan 0.000 0.218 277 P C 1.104 178.339 177.300 -0.109 0.000 1.146 277 P CA 1.705 64.727 63.100 -0.130 0.000 0.820 277 P CB -0.420 31.253 31.700 -0.045 0.000 0.778 278 H N -1.421 117.645 119.070 -0.007 0.000 2.529 278 H HA 0.068 4.626 4.556 0.003 0.000 0.277 278 H C 0.936 176.256 175.328 -0.014 0.000 0.999 278 H CA -0.194 55.855 56.048 0.002 0.000 1.256 278 H CB -0.572 29.205 29.762 0.025 0.000 1.402 278 H HN 0.055 nan 8.280 nan 0.000 0.566 279 I N 4.500 124.940 120.570 -0.217 0.000 2.710 279 I HA -0.040 4.132 4.170 0.003 0.000 0.286 279 I C -1.069 174.986 176.117 -0.105 0.000 1.181 279 I CA -1.444 59.772 61.300 -0.141 0.000 1.430 279 I CB 0.496 38.332 38.000 -0.274 0.000 1.367 279 I HN 0.141 nan 8.210 nan 0.000 0.577 280 P HA -0.064 nan 4.420 nan 0.000 0.252 280 P C 0.505 177.757 177.300 -0.080 0.000 1.265 280 P CA 0.402 63.465 63.100 -0.061 0.000 0.775 280 P CB 0.593 32.265 31.700 -0.046 0.000 1.128 281 E N 0.592 120.715 120.200 -0.128 0.000 4.084 281 E HA -0.308 4.044 4.350 0.003 0.000 0.203 281 E C 0.035 176.579 176.600 -0.094 0.000 1.440 281 E CA 1.007 57.342 56.400 -0.109 0.000 2.282 281 E CB -1.492 28.176 29.700 -0.054 0.000 2.102 281 E HN 0.100 nan 8.360 nan 0.000 0.497 282 N N -1.771 116.906 118.700 -0.039 0.000 2.805 282 N HA -0.252 4.490 4.740 0.003 0.000 0.241 282 N C 0.748 176.277 175.510 0.032 0.000 1.007 282 N CA 2.266 55.313 53.050 -0.005 0.000 0.961 282 N CB -1.142 37.334 38.487 -0.018 0.000 1.121 282 N HN 0.443 nan 8.380 nan 0.000 0.600 283 L N -0.971 120.226 121.223 -0.044 0.000 3.689 283 L HA 0.130 4.472 4.340 0.003 0.000 0.344 283 L C -0.058 176.610 176.870 -0.336 0.000 1.221 283 L CA -0.186 54.556 54.840 -0.163 0.000 1.171 283 L CB 0.384 42.240 42.059 -0.339 0.000 1.540 283 L HN 0.008 nan 8.230 nan 0.000 0.631 284 Q N 1.770 121.399 119.800 -0.285 0.000 2.780 284 Q HA 0.163 4.505 4.340 0.003 0.000 0.234 284 Q C -0.702 175.422 176.000 0.206 0.000 1.355 284 Q CA -0.090 55.380 55.803 -0.556 0.000 0.919 284 Q CB 0.013 28.549 28.738 -0.338 0.000 1.645 284 Q HN 0.066 nan 8.270 nan 0.000 0.568 285 F N 0.453 120.441 119.950 0.062 0.000 2.563 285 F HA -0.003 4.526 4.527 0.003 0.000 0.363 285 F C 1.272 177.209 175.800 0.228 0.000 1.123 285 F CA -0.439 57.654 58.000 0.155 0.000 1.307 285 F CB 0.275 39.360 39.000 0.142 0.000 1.115 285 F HN 0.425 nan 8.300 nan 0.000 0.592 286 A N 3.235 126.202 122.820 0.246 0.000 1.835 286 A HA 0.167 4.489 4.320 0.003 0.000 0.213 286 A C 2.000 179.647 177.584 0.104 0.000 1.210 286 A CA 2.527 54.653 52.037 0.149 0.000 0.605 286 A CB -0.947 18.096 19.000 0.073 0.000 0.860 286 A HN 1.435 nan 8.150 nan 0.000 0.447 287 V N -3.854 116.107 119.914 0.079 0.000 0.506 287 V HA -0.361 3.761 4.120 0.003 0.000 0.092 287 V C 1.925 177.998 176.094 -0.035 0.000 2.295 287 V CA 2.679 65.006 62.300 0.045 0.000 3.596 287 V CB -1.826 30.069 31.823 0.120 0.000 0.884 287 V HN 2.472 nan 8.190 nan 0.000 0.925 288 G N -0.756 108.006 108.800 -0.062 0.000 2.227 288 G HA2 0.056 4.018 3.960 0.003 0.000 0.168 288 G HA3 0.056 4.018 3.960 0.003 0.000 0.168 288 G C -0.123 174.659 174.900 -0.197 0.000 1.006 288 G CA 0.523 45.560 45.100 -0.105 0.000 0.684 288 G HN 1.565 nan 8.290 nan 0.000 0.489 289 Q N 1.038 120.658 119.800 -0.300 0.000 2.589 289 Q HA 0.269 4.611 4.340 0.003 0.000 0.245 289 Q C 1.406 177.217 176.000 -0.315 0.000 0.931 289 Q CA 0.220 55.741 55.803 -0.471 0.000 0.730 289 Q CB 0.924 28.959 28.738 -1.172 0.000 1.315 289 Q HN 0.697 nan 8.270 nan 0.000 0.469 290 E N 0.924 121.016 120.200 -0.180 0.000 2.197 290 E HA -0.250 4.102 4.350 0.003 0.000 0.205 290 E C 1.152 177.681 176.600 -0.119 0.000 1.029 290 E CA 1.781 58.105 56.400 -0.127 0.000 0.828 290 E CB -0.122 29.525 29.700 -0.089 0.000 0.737 290 E HN 0.290 nan 8.360 nan 0.000 0.464 291 V N 0.210 120.105 119.914 -0.032 0.000 2.871 291 V HA -0.106 4.016 4.120 0.003 0.000 0.256 291 V C 1.242 177.466 176.094 0.217 0.000 1.082 291 V CA 0.724 63.073 62.300 0.082 0.000 1.105 291 V CB -0.587 31.348 31.823 0.187 0.000 0.713 291 V HN 0.198 nan 8.190 nan 0.000 0.473 292 F N 1.270 121.184 119.950 -0.061 0.000 2.667 292 F HA 0.067 4.596 4.527 0.003 0.000 0.295 292 F C 2.028 177.772 175.800 -0.094 0.000 1.185 292 F CA 0.646 58.616 58.000 -0.049 0.000 1.479 292 F CB -1.412 37.589 39.000 0.002 0.000 1.116 292 F HN 0.284 nan 8.300 nan 0.000 0.606 293 G N -0.727 108.044 108.800 -0.049 0.000 3.284 293 G HA2 0.250 4.212 3.960 0.003 0.000 0.236 293 G HA3 0.250 4.212 3.960 0.003 0.000 0.236 293 G C 0.946 175.840 174.900 -0.009 0.000 1.158 293 G CA -0.097 44.905 45.100 -0.162 0.000 0.774 293 G HN 0.357 nan 8.290 nan 0.000 0.545 294 L N 0.341 121.573 121.223 0.015 0.000 3.066 294 L HA 0.433 4.775 4.340 0.003 0.000 0.265 294 L C -0.547 176.305 176.870 -0.029 0.000 1.232 294 L CA -0.042 54.883 54.840 0.142 0.000 1.031 294 L CB 1.147 43.351 42.059 0.243 0.000 1.379 294 L HN -0.104 nan 8.230 nan 0.000 0.563 295 V N -0.125 119.670 119.914 -0.198 0.000 2.822 295 V HA 0.131 4.253 4.120 0.003 0.000 0.275 295 V C -2.013 173.733 176.094 -0.580 0.000 1.267 295 V CA -0.479 61.572 62.300 -0.415 0.000 0.933 295 V CB 2.647 34.308 31.823 -0.270 0.000 1.082 295 V HN -0.094 nan 8.190 nan 0.000 0.465 296 P HA -0.076 nan 4.420 nan 0.000 0.227 296 P C 1.434 178.402 177.300 -0.553 0.000 1.145 296 P CA 1.483 64.189 63.100 -0.657 0.000 0.769 296 P CB 0.287 31.553 31.700 -0.723 0.000 0.769 297 G N -1.213 107.070 108.800 -0.861 0.000 2.430 297 G HA2 -0.129 3.833 3.960 0.003 0.000 0.216 297 G HA3 -0.129 3.833 3.960 0.003 0.000 0.216 297 G C 1.216 175.638 174.900 -0.797 0.000 1.146 297 G CA 0.274 44.570 45.100 -1.339 0.000 0.793 297 G HN 0.121 nan 8.290 nan 0.000 0.537 298 L N 0.116 120.953 121.223 -0.643 0.000 1.993 298 L HA 0.210 4.552 4.340 0.003 0.000 0.206 298 L C 2.728 179.373 176.870 -0.375 0.000 1.074 298 L CA 1.553 56.062 54.840 -0.552 0.000 0.746 298 L CB -1.248 40.382 42.059 -0.715 0.000 0.896 298 L HN 0.240 nan 8.230 nan 0.000 0.435 299 M N -1.018 118.430 119.600 -0.253 0.000 2.255 299 M HA -0.268 4.214 4.480 0.003 0.000 0.259 299 M C 2.159 178.383 176.300 -0.127 0.000 1.071 299 M CA 1.560 56.807 55.300 -0.088 0.000 1.074 299 M CB -0.379 32.189 32.600 -0.053 0.000 1.384 299 M HN 0.289 nan 8.290 nan 0.000 0.415 300 M N -1.485 117.953 119.600 -0.269 0.000 2.077 300 M HA -0.242 4.240 4.480 0.003 0.000 0.261 300 M C 1.684 177.867 176.300 -0.196 0.000 1.070 300 M CA 1.887 57.002 55.300 -0.310 0.000 1.125 300 M CB -0.411 31.950 32.600 -0.398 0.000 1.339 300 M HN 0.284 nan 8.290 nan 0.000 0.409 301 Y N 0.502 120.645 120.300 -0.263 0.000 2.200 301 Y HA -0.032 4.520 4.550 0.003 0.000 0.290 301 Y C 2.700 178.472 175.900 -0.212 0.000 1.137 301 Y CA 1.369 59.291 58.100 -0.296 0.000 1.163 301 Y CB -1.172 36.947 38.460 -0.568 0.000 0.988 301 Y HN 0.401 nan 8.280 nan 0.000 0.518 302 A N -1.139 121.635 122.820 -0.076 0.000 2.076 302 A HA -0.166 4.156 4.320 0.003 0.000 0.220 302 A C 2.147 179.807 177.584 0.127 0.000 1.160 302 A CA 2.190 54.315 52.037 0.146 0.000 0.653 302 A CB -0.878 18.268 19.000 0.245 0.000 0.801 302 A HN 0.432 nan 8.150 nan 0.000 0.455 303 T N -0.628 113.958 114.554 0.054 0.000 3.044 303 T HA 0.169 4.521 4.350 0.003 0.000 0.255 303 T C 1.689 176.366 174.700 -0.038 0.000 1.073 303 T CA 0.700 62.799 62.100 -0.001 0.000 1.125 303 T CB -0.176 68.671 68.868 -0.035 0.000 0.908 303 T HN 0.421 nan 8.240 nan 0.000 0.480 304 I N -0.413 120.141 120.570 -0.026 0.000 2.252 304 I HA -0.117 4.055 4.170 0.003 0.000 0.245 304 I C 2.061 178.135 176.117 -0.071 0.000 1.102 304 I CA 1.408 62.655 61.300 -0.089 0.000 1.385 304 I CB -0.207 37.733 38.000 -0.099 0.000 1.064 304 I HN 0.311 nan 8.210 nan 0.000 0.414 305 W N 0.649 121.971 121.300 0.038 0.000 2.418 305 W HA -0.067 4.595 4.660 0.003 0.000 0.292 305 W C 2.457 178.980 176.519 0.007 0.000 1.213 305 W CA 0.454 57.823 57.345 0.039 0.000 1.283 305 W CB -0.222 29.267 29.460 0.048 0.000 1.119 305 W HN 0.077 nan 8.180 nan 0.000 0.542 306 L N 0.944 122.277 121.223 0.184 0.000 2.012 306 L HA -0.234 4.109 4.340 0.003 0.000 0.210 306 L C 2.417 179.325 176.870 0.063 0.000 1.073 306 L CA 1.822 56.711 54.840 0.082 0.000 0.748 306 L CB -0.344 41.727 42.059 0.020 0.000 0.891 306 L HN -0.052 nan 8.230 nan 0.000 0.431 307 R N -0.359 120.135 120.500 -0.011 0.000 2.096 307 R HA -0.213 4.129 4.340 0.003 0.000 0.235 307 R C 2.175 178.463 176.300 -0.018 0.000 1.127 307 R CA 1.503 57.555 56.100 -0.079 0.000 0.968 307 R CB -0.262 29.955 30.300 -0.138 0.000 0.861 307 R HN 0.376 nan 8.270 nan 0.000 0.440 308 E N -0.120 120.105 120.200 0.042 0.000 2.274 308 E HA -0.163 4.189 4.350 0.003 0.000 0.194 308 E C 1.473 178.162 176.600 0.148 0.000 0.996 308 E CA 1.171 57.614 56.400 0.071 0.000 0.840 308 E CB -0.013 29.719 29.700 0.054 0.000 0.772 308 E HN 0.403 nan 8.360 nan 0.000 0.491 309 H N 0.006 119.151 119.070 0.125 0.000 2.269 309 H HA -0.072 4.486 4.556 0.003 0.000 0.299 309 H C 1.828 177.209 175.328 0.089 0.000 1.058 309 H CA 2.411 58.537 56.048 0.130 0.000 1.246 309 H CB -0.193 29.641 29.762 0.121 0.000 1.376 309 H HN 0.029 nan 8.280 nan 0.000 0.503 310 Q N 0.268 120.176 119.800 0.180 0.000 2.268 310 Q HA -0.231 4.111 4.340 0.003 0.000 0.213 310 Q C 2.419 178.426 176.000 0.011 0.000 0.995 310 Q CA 1.954 57.812 55.803 0.092 0.000 0.901 310 Q CB -0.319 28.431 28.738 0.020 0.000 0.921 310 Q HN 0.408 nan 8.270 nan 0.000 0.421 311 R N -0.594 119.902 120.500 -0.007 0.000 2.070 311 R HA -0.116 4.226 4.340 0.003 0.000 0.233 311 R C 1.991 178.281 176.300 -0.016 0.000 1.137 311 R CA 1.544 57.634 56.100 -0.018 0.000 0.945 311 R CB -0.284 30.004 30.300 -0.021 0.000 0.845 311 R HN 0.207 nan 8.270 nan 0.000 0.430 312 V N 0.378 120.277 119.914 -0.025 0.000 2.407 312 V HA -0.318 3.804 4.120 0.003 0.000 0.248 312 V C 2.541 178.620 176.094 -0.025 0.000 1.055 312 V CA 1.651 63.938 62.300 -0.021 0.000 1.049 312 V CB -0.350 31.464 31.823 -0.016 0.000 0.662 312 V HN 0.552 nan 8.190 nan 0.000 0.455 313 C N 0.123 119.391 119.300 -0.053 0.000 2.386 313 C HA -0.202 4.260 4.460 0.003 0.000 0.279 313 C C 2.522 177.535 174.990 0.039 0.000 1.208 313 C CA 1.253 60.281 59.018 0.016 0.000 1.747 313 C CB -1.126 26.649 27.740 0.058 0.000 2.046 313 C HN 0.598 nan 8.230 nan 0.000 0.453 314 D N 0.466 120.884 120.400 0.029 0.000 2.271 314 D HA -0.104 4.538 4.640 0.003 0.000 0.207 314 D C 1.817 178.114 176.300 -0.006 0.000 0.983 314 D CA 1.135 55.147 54.000 0.021 0.000 0.878 314 D CB -0.349 40.460 40.800 0.014 0.000 0.920 314 D HN 0.549 nan 8.370 nan 0.000 0.479 315 I N -0.323 120.237 120.570 -0.017 0.000 2.277 315 I HA -0.186 3.986 4.170 0.003 0.000 0.243 315 I C 2.037 178.104 176.117 -0.084 0.000 1.094 315 I CA 0.237 61.511 61.300 -0.042 0.000 1.393 315 I CB -0.003 37.979 38.000 -0.030 0.000 1.078 315 I HN -0.025 nan 8.210 nan 0.000 0.417 316 L N 1.127 122.313 121.223 -0.062 0.000 2.017 316 L HA -0.193 4.149 4.340 0.003 0.000 0.208 316 L C 2.468 179.241 176.870 -0.162 0.000 1.073 316 L CA 1.787 56.548 54.840 -0.131 0.000 0.745 316 L CB -1.005 41.068 42.059 0.023 0.000 0.894 316 L HN 0.170 nan 8.230 nan 0.000 0.432 317 K N -1.047 119.340 120.400 -0.022 0.000 2.211 317 K HA -0.236 4.086 4.320 0.003 0.000 0.204 317 K C 2.118 178.693 176.600 -0.041 0.000 1.047 317 K CA 1.106 57.403 56.287 0.016 0.000 0.935 317 K CB 0.072 32.620 32.500 0.079 0.000 0.728 317 K HN 0.251 nan 8.250 nan 0.000 0.452 318 Q N 1.439 121.195 119.800 -0.074 0.000 1.965 318 Q HA -0.155 4.187 4.340 0.003 0.000 0.200 318 Q C 1.702 177.612 176.000 -0.151 0.000 0.981 318 Q CA 1.634 57.388 55.803 -0.082 0.000 0.834 318 Q CB -0.285 28.407 28.738 -0.076 0.000 0.900 318 Q HN 0.271 nan 8.270 nan 0.000 0.426 319 E N 0.185 120.233 120.200 -0.254 0.000 2.233 319 E HA -0.177 4.175 4.350 0.003 0.000 0.199 319 E C 0.150 176.395 176.600 -0.592 0.000 1.004 319 E CA 1.009 57.149 56.400 -0.434 0.000 0.819 319 E CB -0.171 29.174 29.700 -0.591 0.000 0.738 319 E HN 0.516 nan 8.360 nan 0.000 0.478 320 H N -1.104 117.744 119.070 -0.369 0.000 2.448 320 H HA 0.145 4.703 4.556 0.003 0.000 0.237 320 H C -1.854 173.361 175.328 -0.188 0.000 1.391 320 H CA -1.682 54.084 56.048 -0.469 0.000 1.477 320 H CB 1.352 30.314 29.762 -1.332 0.000 1.520 320 H HN -0.042 nan 8.280 nan 0.000 0.502 321 P HA -0.198 nan 4.420 nan 0.000 0.219 321 P C 0.766 178.131 177.300 0.107 0.000 1.146 321 P CA 1.114 64.245 63.100 0.053 0.000 0.808 321 P CB 0.307 32.028 31.700 0.035 0.000 0.779 322 E N -3.217 117.069 120.200 0.142 0.000 2.465 322 E HA 0.013 4.365 4.350 0.003 0.000 0.191 322 E C 0.055 176.856 176.600 0.334 0.000 1.053 322 E CA -0.165 56.351 56.400 0.194 0.000 0.869 322 E CB -0.654 29.146 29.700 0.167 0.000 0.977 322 E HN 0.193 nan 8.360 nan 0.000 0.483 323 W N 1.107 122.449 121.300 0.070 0.000 2.332 323 W HA 0.698 5.360 4.660 0.003 0.000 0.351 323 W C 0.919 177.474 176.519 0.061 0.000 1.195 323 W CA -0.946 56.426 57.345 0.046 0.000 1.334 323 W CB 0.916 30.419 29.460 0.072 0.000 1.206 323 W HN 0.035 nan 8.180 nan 0.000 0.637 324 G N 0.250 109.189 108.800 0.233 0.000 2.537 324 G HA2 0.240 4.202 3.960 0.003 0.000 0.323 324 G HA3 0.240 4.202 3.960 0.003 0.000 0.323 324 G C 0.174 175.182 174.900 0.179 0.000 1.207 324 G CA -0.271 44.922 45.100 0.154 0.000 0.976 324 G HN 0.462 nan 8.290 nan 0.000 0.487 325 D N -0.293 120.211 120.400 0.173 0.000 2.269 325 D HA -0.236 4.406 4.640 0.003 0.000 0.191 325 D C 1.885 178.335 176.300 0.252 0.000 1.007 325 D CA 1.968 56.102 54.000 0.224 0.000 0.855 325 D CB 0.137 41.067 40.800 0.217 0.000 0.979 325 D HN 0.373 nan 8.370 nan 0.000 0.452 326 E N -0.415 119.891 120.200 0.177 0.000 2.219 326 E HA -0.241 4.111 4.350 0.003 0.000 0.198 326 E C 2.004 178.694 176.600 0.149 0.000 0.998 326 E CA 0.913 57.411 56.400 0.164 0.000 0.818 326 E CB -0.166 29.576 29.700 0.070 0.000 0.741 326 E HN 0.592 nan 8.360 nan 0.000 0.477 327 Q N 0.021 119.846 119.800 0.042 0.000 2.123 327 Q HA -0.041 4.301 4.340 0.003 0.000 0.196 327 Q C 2.459 178.496 176.000 0.062 0.000 0.958 327 Q CA 0.353 56.070 55.803 -0.142 0.000 0.841 327 Q CB 0.082 28.477 28.738 -0.570 0.000 0.915 327 Q HN 0.218 nan 8.270 nan 0.000 0.455 328 L N 0.228 121.635 121.223 0.306 0.000 2.013 328 L HA -0.213 4.129 4.340 0.003 0.000 0.212 328 L C 2.331 179.409 176.870 0.346 0.000 1.073 328 L CA 1.512 56.630 54.840 0.463 0.000 0.753 328 L CB -0.579 41.725 42.059 0.409 0.000 0.890 328 L HN 0.313 nan 8.230 nan 0.000 0.432 329 F N 0.659 120.745 119.950 0.225 0.000 2.010 329 F HA -0.301 4.228 4.527 0.003 0.000 0.296 329 F C 2.814 178.718 175.800 0.173 0.000 1.146 329 F CA 1.745 59.893 58.000 0.247 0.000 1.181 329 F CB -0.395 38.731 39.000 0.211 0.000 0.965 329 F HN 0.033 nan 8.300 nan 0.000 0.480 330 Q N 0.009 120.055 119.800 0.410 0.000 2.217 330 Q HA -0.203 4.139 4.340 0.003 0.000 0.209 330 Q C 2.120 178.181 176.000 0.103 0.000 0.988 330 Q CA 2.409 58.340 55.803 0.213 0.000 0.878 330 Q CB -1.287 27.557 28.738 0.177 0.000 0.909 330 Q HN 0.527 nan 8.270 nan 0.000 0.424 331 T N 0.005 114.647 114.554 0.147 0.000 2.857 331 T HA -0.022 4.330 4.350 0.003 0.000 0.266 331 T C 2.157 176.983 174.700 0.210 0.000 1.048 331 T CA 1.093 63.333 62.100 0.233 0.000 1.139 331 T CB -0.077 69.049 68.868 0.429 0.000 0.874 331 T HN 0.164 nan 8.240 nan 0.000 0.455 332 S N 1.435 117.190 115.700 0.091 0.000 2.343 332 S HA -0.101 4.371 4.470 0.003 0.000 0.219 332 S C 2.012 176.637 174.600 0.040 0.000 1.033 332 S CA 1.274 59.463 58.200 -0.019 0.000 1.014 332 S CB -0.335 62.641 63.200 -0.373 0.000 0.915 332 S HN 0.531 nan 8.310 nan 0.000 0.435 333 K N 0.903 121.261 120.400 -0.070 0.000 2.228 333 K HA -0.133 4.189 4.320 0.003 0.000 0.205 333 K C 1.847 178.496 176.600 0.081 0.000 1.045 333 K CA 1.090 57.321 56.287 -0.093 0.000 0.931 333 K CB -0.232 31.923 32.500 -0.575 0.000 0.727 333 K HN 0.303 nan 8.250 nan 0.000 0.458 334 L N 0.302 121.622 121.223 0.162 0.000 2.068 334 L HA -0.100 4.242 4.340 0.003 0.000 0.204 334 L C 2.359 179.437 176.870 0.346 0.000 1.076 334 L CA 0.888 55.917 54.840 0.316 0.000 0.753 334 L CB -0.321 42.007 42.059 0.447 0.000 0.910 334 L HN 0.202 nan 8.230 nan 0.000 0.439 335 I N -0.325 120.432 120.570 0.311 0.000 2.163 335 I HA -0.329 3.844 4.170 0.003 0.000 0.243 335 I C 2.449 178.666 176.117 0.166 0.000 1.085 335 I CA 1.172 62.575 61.300 0.171 0.000 1.347 335 I CB -0.329 37.773 38.000 0.170 0.000 1.044 335 I HN 0.209 nan 8.210 nan 0.000 0.408 336 L N 0.479 121.826 121.223 0.206 0.000 2.079 336 L HA -0.211 4.131 4.340 0.003 0.000 0.210 336 L C 2.388 179.338 176.870 0.134 0.000 1.081 336 L CA 1.768 56.754 54.840 0.243 0.000 0.752 336 L CB -0.646 41.585 42.059 0.286 0.000 0.896 336 L HN 0.210 nan 8.230 nan 0.000 0.433 337 I N -1.166 119.479 120.570 0.125 0.000 2.315 337 I HA -0.181 3.991 4.170 0.003 0.000 0.248 337 I C 2.449 178.629 176.117 0.105 0.000 1.117 337 I CA 1.295 62.643 61.300 0.079 0.000 1.404 337 I CB -1.267 36.794 38.000 0.102 0.000 1.071 337 I HN 0.348 nan 8.210 nan 0.000 0.419 338 G N 0.702 109.594 108.800 0.153 0.000 2.418 338 G HA2 -0.223 3.739 3.960 0.003 0.000 0.217 338 G HA3 -0.223 3.739 3.960 0.003 0.000 0.217 338 G C 1.550 176.539 174.900 0.148 0.000 1.158 338 G CA 0.418 45.624 45.100 0.176 0.000 0.771 338 G HN 0.399 nan 8.290 nan 0.000 0.545 339 E N -0.183 120.121 120.200 0.173 0.000 2.031 339 E HA -0.112 4.240 4.350 0.003 0.000 0.193 339 E C 2.819 179.566 176.600 0.245 0.000 0.994 339 E CA 1.465 58.008 56.400 0.238 0.000 0.800 339 E CB -0.334 29.593 29.700 0.377 0.000 0.752 339 E HN 0.298 nan 8.360 nan 0.000 0.447 340 T N 1.594 116.294 114.554 0.242 0.000 2.665 340 T HA -0.183 4.169 4.350 0.003 0.000 0.268 340 T C 1.962 176.681 174.700 0.032 0.000 1.035 340 T CA 1.206 63.414 62.100 0.180 0.000 1.151 340 T CB -0.238 68.615 68.868 -0.024 0.000 0.862 340 T HN 0.128 nan 8.240 nan 0.000 0.438 341 I N 0.584 121.084 120.570 -0.116 0.000 2.315 341 I HA -0.135 4.037 4.170 0.003 0.000 0.248 341 I C 2.498 178.239 176.117 -0.626 0.000 1.117 341 I CA 1.023 62.083 61.300 -0.400 0.000 1.404 341 I CB -0.294 37.353 38.000 -0.588 0.000 1.071 341 I HN 0.150 nan 8.210 nan 0.000 0.419 342 K N 2.068 122.194 120.400 -0.458 0.000 1.985 342 K HA -0.148 4.174 4.320 0.003 0.000 0.210 342 K C 1.890 178.460 176.600 -0.051 0.000 1.047 342 K CA 1.850 58.028 56.287 -0.181 0.000 0.932 342 K CB -0.433 32.136 32.500 0.114 0.000 0.716 342 K HN 0.220 nan 8.250 nan 0.000 0.439 343 I N 0.261 120.850 120.570 0.031 0.000 2.179 343 I HA -0.242 3.930 4.170 0.003 0.000 0.242 343 I C 2.074 178.187 176.117 -0.008 0.000 1.088 343 I CA 1.073 62.419 61.300 0.077 0.000 1.357 343 I CB -0.276 37.853 38.000 0.215 0.000 1.051 343 I HN -0.023 nan 8.210 nan 0.000 0.409 344 V N 0.928 120.772 119.914 -0.117 0.000 2.688 344 V HA -0.258 3.865 4.120 0.003 0.000 0.256 344 V C 2.112 178.123 176.094 -0.140 0.000 1.084 344 V CA 1.716 63.827 62.300 -0.315 0.000 1.103 344 V CB -0.341 31.088 31.823 -0.656 0.000 0.688 344 V HN 0.366 nan 8.190 nan 0.000 0.480 345 I N -0.855 119.656 120.570 -0.098 0.000 2.556 345 I HA -0.030 4.142 4.170 0.003 0.000 0.251 345 I C 2.227 178.361 176.117 0.029 0.000 1.105 345 I CA 0.782 62.069 61.300 -0.022 0.000 1.436 345 I CB -0.031 37.947 38.000 -0.036 0.000 1.139 345 I HN 0.264 nan 8.210 nan 0.000 0.438 346 E N 0.473 120.694 120.200 0.034 0.000 2.481 346 E HA -0.073 4.279 4.350 0.003 0.000 0.195 346 E C 0.446 177.092 176.600 0.077 0.000 1.047 346 E CA 0.527 56.955 56.400 0.047 0.000 0.867 346 E CB 0.382 30.114 29.700 0.052 0.000 0.858 346 E HN 0.500 nan 8.360 nan 0.000 0.513 347 D N -0.616 119.861 120.400 0.128 0.000 3.163 347 D HA -0.051 4.591 4.640 0.003 0.000 0.228 347 D C 1.534 178.035 176.300 0.336 0.000 1.521 347 D CA -0.029 54.112 54.000 0.234 0.000 1.334 347 D CB -0.712 40.250 40.800 0.270 0.000 1.126 347 D HN -0.014 nan 8.370 nan 0.000 0.304 348 Y N 2.747 123.063 120.300 0.027 0.000 2.030 348 Y HA -0.265 4.287 4.550 0.004 0.000 0.274 348 Y C 2.195 178.118 175.900 0.038 0.000 1.153 348 Y CA 1.809 59.761 58.100 -0.246 0.000 1.115 348 Y CB -0.567 37.535 38.460 -0.597 0.000 0.969 348 Y HN -0.200 nan 8.280 nan 0.000 0.488 349 V N 0.448 120.589 119.914 0.378 0.000 2.358 349 V HA -0.304 3.818 4.120 0.003 0.000 0.246 349 V C 2.363 178.517 176.094 0.101 0.000 1.047 349 V CA 2.088 64.546 62.300 0.263 0.000 1.035 349 V CB -0.836 31.103 31.823 0.194 0.000 0.658 349 V HN 0.491 nan 8.190 nan 0.000 0.452 350 Q N -0.171 119.682 119.800 0.087 0.000 2.077 350 Q HA -0.275 4.067 4.340 0.003 0.000 0.206 350 Q C 2.271 178.298 176.000 0.045 0.000 0.989 350 Q CA 2.415 58.230 55.803 0.019 0.000 0.853 350 Q CB -0.486 28.277 28.738 0.042 0.000 0.907 350 Q HN 0.816 nan 8.270 nan 0.000 0.418 351 H N -0.394 118.705 119.070 0.050 0.000 2.256 351 H HA -0.128 4.430 4.556 0.004 0.000 0.301 351 H C 1.836 177.152 175.328 -0.020 0.000 1.062 351 H CA 1.679 57.755 56.048 0.046 0.000 1.283 351 H CB -0.494 29.362 29.762 0.158 0.000 1.379 351 H HN 0.393 nan 8.280 nan 0.000 0.493 352 L N 1.822 123.179 121.223 0.224 0.000 2.369 352 L HA -0.200 4.142 4.340 0.003 0.000 0.220 352 L C 2.767 179.606 176.870 -0.051 0.000 1.119 352 L CA 2.044 56.955 54.840 0.119 0.000 0.780 352 L CB -1.003 41.242 42.059 0.310 0.000 0.906 352 L HN 0.532 nan 8.230 nan 0.000 0.442 353 S N -1.197 114.399 115.700 -0.173 0.000 2.387 353 S HA 0.201 4.673 4.470 0.003 0.000 0.221 353 S C 1.400 175.861 174.600 -0.232 0.000 1.041 353 S CA 0.379 58.327 58.200 -0.420 0.000 0.959 353 S CB -0.454 62.120 63.200 -1.043 0.000 0.843 353 S HN 0.816 nan 8.310 nan 0.000 0.488 354 G N 0.815 109.516 108.800 -0.164 0.000 2.417 354 G HA2 -0.190 3.772 3.960 0.003 0.000 0.291 354 G HA3 -0.190 3.772 3.960 0.003 0.000 0.291 354 G C -0.092 174.889 174.900 0.134 0.000 1.094 354 G CA 0.310 45.367 45.100 -0.072 0.000 1.146 354 G HN 0.454 nan 8.290 nan 0.000 0.519 355 Y N -1.020 119.157 120.300 -0.204 0.000 2.498 355 Y HA 0.216 4.767 4.550 0.003 0.000 0.259 355 Y C 2.046 177.770 175.900 -0.294 0.000 1.086 355 Y CA 0.700 58.641 58.100 -0.266 0.000 1.287 355 Y CB -0.136 38.208 38.460 -0.194 0.000 1.146 355 Y HN 0.812 nan 8.280 nan 0.000 0.523 356 H N -3.276 115.723 119.070 -0.117 0.000 4.829 356 H HA -0.277 4.281 4.556 0.004 0.000 0.080 356 H C 0.222 175.439 175.328 -0.184 0.000 0.582 356 H CA 0.730 56.676 56.048 -0.170 0.000 1.075 356 H CB -1.548 28.064 29.762 -0.250 0.000 0.466 356 H HN 0.171 nan 8.280 nan 0.000 0.746 357 F N 4.100 123.765 119.950 -0.474 0.000 2.427 357 F HA 0.349 4.878 4.527 0.003 0.000 0.352 357 F C 0.209 175.961 175.800 -0.081 0.000 1.100 357 F CA -0.386 57.375 58.000 -0.399 0.000 1.191 357 F CB 0.601 39.084 39.000 -0.861 0.000 1.128 357 F HN -0.105 nan 8.300 nan 0.000 0.533 358 K N 7.543 127.504 120.400 -0.732 0.000 2.310 358 K HA 0.273 4.595 4.320 0.003 0.000 0.290 358 K C -0.408 175.616 176.600 -0.960 0.000 1.077 358 K CA -0.275 55.638 56.287 -0.624 0.000 0.922 358 K CB 0.483 32.804 32.500 -0.299 0.000 1.057 358 K HN 0.661 nan 8.250 nan 0.000 0.479 359 L N 3.262 124.160 121.223 -0.541 0.000 2.461 359 L HA 0.119 4.461 4.340 0.003 0.000 0.272 359 L C 0.414 177.185 176.870 -0.166 0.000 1.197 359 L CA 0.388 55.053 54.840 -0.293 0.000 0.836 359 L CB 0.300 42.308 42.059 -0.085 0.000 1.105 359 L HN 0.550 nan 8.230 nan 0.000 0.477 360 K N 2.343 122.712 120.400 -0.051 0.000 2.426 360 K HA 0.364 4.686 4.320 0.003 0.000 0.251 360 K C -1.463 175.202 176.600 0.109 0.000 0.941 360 K CA -0.714 55.584 56.287 0.019 0.000 0.808 360 K CB 1.794 34.300 32.500 0.009 0.000 1.265 360 K HN 0.317 nan 8.250 nan 0.000 0.432 361 F N 4.123 124.047 119.950 -0.044 0.000 2.293 361 F HA 0.355 4.884 4.527 0.003 0.000 0.370 361 F C -1.183 174.560 175.800 -0.096 0.000 1.090 361 F CA -0.965 56.992 58.000 -0.072 0.000 1.133 361 F CB 0.632 39.598 39.000 -0.055 0.000 1.360 361 F HN 0.505 nan 8.300 nan 0.000 0.489 362 D N 8.062 128.221 120.400 -0.403 0.000 2.346 362 D HA 0.382 5.024 4.640 0.003 0.000 0.255 362 D C -2.111 173.811 176.300 -0.630 0.000 1.276 362 D CA -2.233 51.454 54.000 -0.523 0.000 0.941 362 D CB 1.781 42.451 40.800 -0.217 0.000 1.199 362 D HN 0.184 nan 8.370 nan 0.000 0.537 363 P HA -0.196 nan 4.420 nan 0.000 0.218 363 P C 0.700 177.419 177.300 -0.969 0.000 1.147 363 P CA 1.190 63.744 63.100 -0.911 0.000 0.827 363 P CB 0.325 31.190 31.700 -1.392 0.000 0.778 364 E N -0.875 118.694 120.200 -1.052 0.000 2.208 364 E HA -0.088 4.264 4.350 0.003 0.000 0.193 364 E C 1.808 178.135 176.600 -0.454 0.000 0.988 364 E CA 0.544 56.240 56.400 -1.174 0.000 0.828 364 E CB -0.535 28.814 29.700 -0.586 0.000 0.763 364 E HN 0.310 nan 8.360 nan 0.000 0.478 365 L N 0.551 121.600 121.223 -0.291 0.000 2.261 365 L HA -0.195 4.147 4.340 0.003 0.000 0.216 365 L C 2.125 178.948 176.870 -0.077 0.000 1.114 365 L CA 0.889 55.659 54.840 -0.116 0.000 0.777 365 L CB -0.303 41.706 42.059 -0.084 0.000 0.910 365 L HN 0.188 nan 8.230 nan 0.000 0.440 366 L N -2.322 118.821 121.223 -0.133 0.000 2.513 366 L HA 0.026 4.368 4.340 0.003 0.000 0.222 366 L C 2.120 179.137 176.870 0.246 0.000 1.096 366 L CA -0.191 54.629 54.840 -0.034 0.000 0.857 366 L CB -0.221 41.672 42.059 -0.277 0.000 1.026 366 L HN 0.109 nan 8.230 nan 0.000 0.469 367 F N 1.834 121.840 119.950 0.093 0.000 2.271 367 F HA -0.229 4.300 4.527 0.003 0.000 0.302 367 F C 1.685 177.562 175.800 0.128 0.000 1.063 367 F CA 0.883 58.967 58.000 0.141 0.000 1.362 367 F CB -0.791 38.289 39.000 0.133 0.000 1.060 367 F HN 0.404 nan 8.300 nan 0.000 0.521 368 N N -0.363 118.508 118.700 0.285 0.000 2.541 368 N HA 0.088 4.830 4.740 0.003 0.000 0.297 368 N C -0.565 175.043 175.510 0.163 0.000 1.503 368 N CA -0.091 53.078 53.050 0.198 0.000 0.919 368 N CB 0.309 38.895 38.487 0.164 0.000 1.305 368 N HN 0.137 nan 8.380 nan 0.000 0.501 369 Q N 0.002 119.913 119.800 0.185 0.000 2.456 369 Q HA 0.329 4.671 4.340 0.003 0.000 0.283 369 Q C -0.666 175.457 176.000 0.204 0.000 1.084 369 Q CA -0.485 55.417 55.803 0.165 0.000 0.801 369 Q CB 1.763 30.583 28.738 0.137 0.000 1.434 369 Q HN 0.292 nan 8.270 nan 0.000 0.419 370 Q N 0.957 120.867 119.800 0.183 0.000 2.288 370 Q HA 0.568 4.910 4.340 0.003 0.000 0.258 370 Q C -1.073 175.083 176.000 0.261 0.000 0.957 370 Q CA 0.095 56.008 55.803 0.183 0.000 0.919 370 Q CB 0.652 29.467 28.738 0.129 0.000 1.185 370 Q HN 0.443 nan 8.270 nan 0.000 0.408 371 F N 1.826 121.811 119.950 0.057 0.000 2.749 371 F HA 0.124 4.653 4.527 0.003 0.000 0.339 371 F C -1.434 174.338 175.800 -0.046 0.000 1.211 371 F CA -0.825 57.156 58.000 -0.033 0.000 1.099 371 F CB 1.478 40.406 39.000 -0.120 0.000 1.359 371 F HN 0.326 nan 8.300 nan 0.000 0.549 372 Q N 5.781 125.173 119.800 -0.681 0.000 2.296 372 Q HA 0.110 4.452 4.340 0.003 0.000 0.263 372 Q C -0.815 174.773 176.000 -0.686 0.000 1.026 372 Q CA 0.159 55.681 55.803 -0.469 0.000 0.912 372 Q CB 0.525 29.072 28.738 -0.319 0.000 1.198 372 Q HN 0.709 nan 8.270 nan 0.000 0.407 373 Y N 2.282 122.444 120.300 -0.230 0.000 2.994 373 Y HA 0.028 4.581 4.550 0.004 0.000 0.393 373 Y C 0.865 176.708 175.900 -0.094 0.000 1.118 373 Y CA -0.160 57.889 58.100 -0.085 0.000 1.906 373 Y CB 0.203 38.713 38.460 0.084 0.000 1.925 373 Y HN 0.441 nan 8.280 nan 0.000 0.446 374 Q N -0.399 119.351 119.800 -0.082 0.000 2.544 374 Q HA 0.613 4.955 4.340 0.003 0.000 0.291 374 Q C -1.622 174.308 176.000 -0.117 0.000 1.068 374 Q CA -1.325 54.439 55.803 -0.065 0.000 0.785 374 Q CB 2.703 31.412 28.738 -0.049 0.000 1.481 374 Q HN 0.269 nan 8.270 nan 0.000 0.430 375 N N -0.606 118.030 118.700 -0.106 0.000 2.745 375 N HA 0.501 5.243 4.740 0.003 0.000 0.256 375 N C -2.232 173.228 175.510 -0.083 0.000 1.268 375 N CA -0.488 52.494 53.050 -0.114 0.000 0.887 375 N CB 2.269 40.670 38.487 -0.143 0.000 1.575 375 N HN 0.623 nan 8.380 nan 0.000 0.496 376 R N 2.335 122.811 120.500 -0.040 0.000 2.510 376 R HA 0.479 4.821 4.340 0.003 0.000 0.287 376 R C -0.893 175.456 176.300 0.081 0.000 1.084 376 R CA -0.678 55.505 56.100 0.138 0.000 0.934 376 R CB 0.554 30.869 30.300 0.024 0.000 1.201 376 R HN 0.624 nan 8.270 nan 0.000 0.431 377 I N 1.759 122.353 120.570 0.040 0.000 2.556 377 I HA 0.504 4.676 4.170 0.003 0.000 0.284 377 I C -0.015 176.170 176.117 0.114 0.000 1.114 377 I CA -0.350 60.930 61.300 -0.033 0.000 1.418 377 I CB 1.323 39.328 38.000 0.007 0.000 1.394 377 I HN 0.633 nan 8.210 nan 0.000 0.552 378 A N 4.757 127.557 122.820 -0.034 0.000 2.310 378 A HA 0.452 4.774 4.320 0.003 0.000 0.299 378 A C 1.237 178.810 177.584 -0.019 0.000 1.147 378 A CA -0.163 51.843 52.037 -0.051 0.000 0.818 378 A CB 0.906 19.708 19.000 -0.330 0.000 1.096 378 A HN 0.948 nan 8.150 nan 0.000 0.495 379 S N 1.961 117.644 115.700 -0.029 0.000 2.370 379 S HA -0.232 4.240 4.470 0.003 0.000 0.226 379 S C 1.351 175.929 174.600 -0.037 0.000 1.033 379 S CA 1.869 59.942 58.200 -0.212 0.000 1.011 379 S CB -0.531 62.594 63.200 -0.124 0.000 0.852 379 S HN 0.798 nan 8.310 nan 0.000 0.457 380 E N 0.971 121.233 120.200 0.104 0.000 2.114 380 E HA -0.131 4.221 4.350 0.003 0.000 0.199 380 E C 1.635 178.367 176.600 0.219 0.000 1.008 380 E CA 1.403 57.943 56.400 0.234 0.000 0.810 380 E CB -0.500 29.424 29.700 0.373 0.000 0.739 380 E HN 0.561 nan 8.360 nan 0.000 0.456 381 F N 1.517 121.373 119.950 -0.157 0.000 2.134 381 F HA -0.161 4.368 4.527 0.003 0.000 0.299 381 F C 1.994 177.727 175.800 -0.113 0.000 1.097 381 F CA 1.504 59.494 58.000 -0.017 0.000 1.264 381 F CB -0.406 38.483 39.000 -0.185 0.000 1.001 381 F HN 0.046 nan 8.300 nan 0.000 0.479 382 N N -0.888 117.620 118.700 -0.320 0.000 2.104 382 N HA -0.202 4.540 4.740 0.003 0.000 0.190 382 N C 1.730 176.799 175.510 -0.734 0.000 1.024 382 N CA 1.930 54.227 53.050 -1.255 0.000 0.853 382 N CB -0.171 37.772 38.487 -0.908 0.000 1.008 382 N HN 0.279 nan 8.380 nan 0.000 0.424 383 T N 1.967 116.381 114.554 -0.233 0.000 2.614 383 T HA -0.132 4.220 4.350 0.003 0.000 0.263 383 T C 1.882 176.656 174.700 0.124 0.000 1.055 383 T CA 1.626 63.726 62.100 0.001 0.000 1.162 383 T CB -0.355 68.444 68.868 -0.115 0.000 0.863 383 T HN 0.384 nan 8.240 nan 0.000 0.414 384 L N -0.851 120.416 121.223 0.073 0.000 2.447 384 L HA 0.054 4.396 4.340 0.003 0.000 0.225 384 L C 1.637 178.532 176.870 0.041 0.000 1.148 384 L CA 1.513 56.421 54.840 0.114 0.000 0.808 384 L CB -1.158 40.968 42.059 0.111 0.000 0.928 384 L HN 0.175 nan 8.230 nan 0.000 0.448 385 Y N -0.539 119.537 120.300 -0.373 0.000 2.470 385 Y HA 0.177 4.729 4.550 0.004 0.000 0.284 385 Y C 0.553 176.018 175.900 -0.725 0.000 1.188 385 Y CA -0.317 57.274 58.100 -0.849 0.000 1.269 385 Y CB -0.382 37.472 38.460 -1.011 0.000 1.094 385 Y HN 0.300 nan 8.280 nan 0.000 0.518 386 H N -0.807 118.185 119.070 -0.131 0.000 2.970 386 H HA 0.003 4.561 4.556 0.003 0.000 0.226 386 H C -0.549 174.876 175.328 0.161 0.000 1.909 386 H CA -0.188 55.798 56.048 -0.103 0.000 1.388 386 H CB -0.640 29.094 29.762 -0.046 0.000 1.773 386 H HN 0.236 nan 8.280 nan 0.000 0.559 387 W N 1.077 122.336 121.300 -0.068 0.000 1.992 387 W HA 0.105 4.767 4.660 0.004 0.000 0.449 387 W C 0.552 177.114 176.519 0.072 0.000 0.617 387 W CA -0.588 56.780 57.345 0.038 0.000 2.341 387 W CB -1.422 28.097 29.460 0.099 0.000 1.156 387 W HN 0.718 nan 8.180 nan 0.000 0.538 388 H N 0.630 119.948 119.070 0.415 0.000 2.421 388 H HA -0.128 4.429 4.556 0.003 0.000 0.298 388 H C -0.430 175.046 175.328 0.246 0.000 1.087 388 H CA 1.232 57.470 56.048 0.317 0.000 1.330 388 H CB -0.964 28.983 29.762 0.307 0.000 1.388 388 H HN 0.003 nan 8.280 nan 0.000 0.526 389 P HA -0.167 nan 4.420 nan 0.000 0.220 389 P C 1.121 178.488 177.300 0.112 0.000 1.144 389 P CA 1.119 64.300 63.100 0.136 0.000 0.800 389 P CB -0.026 31.694 31.700 0.032 0.000 0.772 390 L N -1.882 119.443 121.223 0.170 0.000 2.131 390 L HA -0.122 4.220 4.340 0.003 0.000 0.210 390 L C 1.206 178.169 176.870 0.155 0.000 1.092 390 L CA 0.508 55.432 54.840 0.139 0.000 0.759 390 L CB -0.774 41.422 42.059 0.228 0.000 0.903 390 L HN 0.010 nan 8.230 nan 0.000 0.435 391 L N 1.297 122.646 121.223 0.211 0.000 2.490 391 L HA 0.040 4.382 4.340 0.003 0.000 0.274 391 L C -1.627 175.367 176.870 0.208 0.000 1.201 391 L CA -0.997 53.976 54.840 0.221 0.000 0.869 391 L CB 0.043 42.344 42.059 0.403 0.000 1.123 391 L HN -0.059 nan 8.230 nan 0.000 0.484 392 P HA 0.202 nan 4.420 nan 0.000 0.346 392 P C -0.523 176.652 177.300 -0.207 0.000 1.325 392 P CA -0.176 62.835 63.100 -0.149 0.000 0.803 392 P CB 1.276 32.695 31.700 -0.469 0.000 1.856 393 D N -1.808 118.369 120.400 -0.371 0.000 2.454 393 D HA 0.090 4.732 4.640 0.003 0.000 0.219 393 D C 0.241 176.330 176.300 -0.352 0.000 1.081 393 D CA 0.914 54.707 54.000 -0.345 0.000 0.867 393 D CB 0.531 41.171 40.800 -0.266 0.000 1.054 393 D HN 0.418 nan 8.370 nan 0.000 0.500 394 T N -1.174 113.121 114.554 -0.431 0.000 2.906 394 T HA 0.593 4.945 4.350 0.003 0.000 0.295 394 T C -0.772 173.613 174.700 -0.524 0.000 1.061 394 T CA -0.767 61.127 62.100 -0.342 0.000 1.000 394 T CB 1.605 70.355 68.868 -0.197 0.000 1.103 394 T HN -0.251 nan 8.240 nan 0.000 0.486 395 F N 1.640 121.484 119.950 -0.177 0.000 2.388 395 F HA 0.420 4.949 4.527 0.004 0.000 0.358 395 F C 0.537 176.273 175.800 -0.107 0.000 1.122 395 F CA -0.969 56.828 58.000 -0.339 0.000 1.056 395 F CB 0.973 39.305 39.000 -1.113 0.000 1.155 395 F HN 0.569 nan 8.300 nan 0.000 0.461 396 N N 4.808 123.552 118.700 0.073 0.000 2.589 396 N HA 0.436 5.178 4.740 0.003 0.000 0.232 396 N C -1.126 174.420 175.510 0.061 0.000 1.015 396 N CA -0.465 52.614 53.050 0.049 0.000 0.931 396 N CB 1.064 39.538 38.487 -0.022 0.000 1.150 396 N HN 0.392 nan 8.380 nan 0.000 0.512 397 I N 1.831 122.388 120.570 -0.022 0.000 2.287 397 I HA -0.001 4.171 4.170 0.003 0.000 0.290 397 I C 0.514 176.549 176.117 -0.136 0.000 1.069 397 I CA -0.334 60.796 61.300 -0.284 0.000 1.237 397 I CB 0.445 37.982 38.000 -0.773 0.000 1.418 397 I HN 0.481 nan 8.210 nan 0.000 0.481 398 E N 5.304 125.473 120.200 -0.052 0.000 0.804 398 E HA -0.305 4.047 4.350 0.003 0.000 0.289 398 E C -0.078 176.568 176.600 0.077 0.000 0.679 398 E CA 1.068 57.483 56.400 0.026 0.000 1.015 398 E CB -0.303 29.422 29.700 0.043 0.000 0.772 398 E HN 0.703 nan 8.360 nan 0.000 0.308 399 D N 0.308 120.733 120.400 0.042 0.000 1.598 399 D HA -0.124 4.518 4.640 0.003 0.000 0.248 399 D C -0.509 175.788 176.300 -0.005 0.000 0.798 399 D CA 1.380 55.404 54.000 0.040 0.000 1.124 399 D CB -0.578 40.273 40.800 0.084 0.000 1.461 399 D HN 0.538 nan 8.370 nan 0.000 0.769 400 Q N 0.601 120.380 119.800 -0.035 0.000 2.552 400 Q HA 0.734 5.076 4.340 0.003 0.000 0.289 400 Q C -0.694 175.177 176.000 -0.215 0.000 1.097 400 Q CA -0.604 55.084 55.803 -0.193 0.000 0.812 400 Q CB 2.040 30.543 28.738 -0.392 0.000 1.460 400 Q HN 0.093 nan 8.270 nan 0.000 0.452 401 E N 0.387 120.407 120.200 -0.301 0.000 2.234 401 E HA 0.499 4.851 4.350 0.003 0.000 0.266 401 E C -1.451 175.024 176.600 -0.207 0.000 0.877 401 E CA -0.425 55.877 56.400 -0.164 0.000 0.758 401 E CB 1.703 31.325 29.700 -0.131 0.000 1.170 401 E HN 0.375 nan 8.360 nan 0.000 0.415 402 Y N 0.298 120.603 120.300 0.008 0.000 2.509 402 Y HA 0.300 4.852 4.550 0.003 0.000 0.341 402 Y C 0.731 176.701 175.900 0.118 0.000 1.038 402 Y CA -0.833 57.326 58.100 0.098 0.000 1.089 402 Y CB 1.818 40.406 38.460 0.213 0.000 1.241 402 Y HN 0.482 nan 8.280 nan 0.000 0.468 403 S N 0.279 116.175 115.700 0.328 0.000 2.681 403 S HA 0.306 4.778 4.470 0.003 0.000 0.270 403 S C 0.575 175.494 174.600 0.531 0.000 1.209 403 S CA -0.515 57.857 58.200 0.288 0.000 0.988 403 S CB 0.462 63.769 63.200 0.177 0.000 1.006 403 S HN 0.478 nan 8.310 nan 0.000 0.558 404 F N 1.496 121.570 119.950 0.206 0.000 2.102 404 F HA 0.026 4.555 4.527 0.003 0.000 0.298 404 F C 2.166 178.071 175.800 0.175 0.000 1.105 404 F CA 1.334 59.511 58.000 0.295 0.000 1.239 404 F CB -1.261 37.858 39.000 0.198 0.000 0.991 404 F HN 0.534 nan 8.300 nan 0.000 0.474 405 K N 0.047 120.641 120.400 0.322 0.000 2.442 405 K HA -0.177 4.145 4.320 0.003 0.000 0.199 405 K C 1.604 178.288 176.600 0.141 0.000 1.044 405 K CA 1.102 57.489 56.287 0.166 0.000 0.941 405 K CB -0.472 32.108 32.500 0.134 0.000 0.759 405 K HN 0.430 nan 8.250 nan 0.000 0.472 406 Q N -1.797 118.145 119.800 0.236 0.000 2.378 406 Q HA 0.170 4.512 4.340 0.003 0.000 0.229 406 Q C 1.179 177.313 176.000 0.223 0.000 0.882 406 Q CA -0.009 55.944 55.803 0.251 0.000 0.936 406 Q CB 0.132 29.113 28.738 0.405 0.000 1.092 406 Q HN 0.197 nan 8.270 nan 0.000 0.535 407 F N 1.438 121.408 119.950 0.033 0.000 2.147 407 F HA 0.107 4.636 4.527 0.003 0.000 0.291 407 F C 0.692 176.349 175.800 -0.238 0.000 1.093 407 F CA 0.257 58.176 58.000 -0.135 0.000 1.263 407 F CB 0.067 38.996 39.000 -0.120 0.000 1.036 407 F HN -0.110 nan 8.300 nan 0.000 0.481 408 L N 1.935 123.048 121.223 -0.182 0.000 2.640 408 L HA -0.163 4.179 4.340 0.003 0.000 0.280 408 L C -0.157 176.302 176.870 -0.686 0.000 1.229 408 L CA 0.072 54.578 54.840 -0.556 0.000 0.919 408 L CB -0.872 40.704 42.059 -0.804 0.000 1.168 408 L HN 0.454 nan 8.230 nan 0.000 0.496 409 Y N 1.413 121.686 120.300 -0.046 0.000 3.108 409 Y HA -0.275 4.277 4.550 0.003 0.000 0.208 409 Y C 0.094 175.976 175.900 -0.029 0.000 1.245 409 Y CA 0.141 58.242 58.100 0.001 0.000 1.171 409 Y CB -2.258 36.256 38.460 0.090 0.000 1.331 409 Y HN 0.702 nan 8.280 nan 0.000 0.534 410 N N 1.383 120.023 118.700 -0.100 0.000 2.648 410 N HA 0.194 4.937 4.740 0.003 0.000 0.261 410 N C 0.585 175.942 175.510 -0.254 0.000 1.138 410 N CA -0.203 52.767 53.050 -0.134 0.000 0.804 410 N CB 0.266 38.678 38.487 -0.124 0.000 1.237 410 N HN 0.524 nan 8.380 nan 0.000 0.532 411 N N 1.159 119.692 118.700 -0.278 0.000 2.142 411 N HA -0.161 4.581 4.740 0.003 0.000 0.186 411 N C 0.924 176.249 175.510 -0.310 0.000 1.023 411 N CA 1.666 54.473 53.050 -0.406 0.000 0.852 411 N CB -0.025 38.063 38.487 -0.666 0.000 0.998 411 N HN 0.226 nan 8.380 nan 0.000 0.424 412 S N 0.970 116.538 115.700 -0.221 0.000 2.399 412 S HA -0.244 4.228 4.470 0.003 0.000 0.235 412 S C 1.866 176.438 174.600 -0.048 0.000 1.063 412 S CA 1.648 59.773 58.200 -0.125 0.000 1.070 412 S CB -0.792 62.370 63.200 -0.064 0.000 0.904 412 S HN 0.403 nan 8.310 nan 0.000 0.456 413 I N 0.978 121.518 120.570 -0.051 0.000 2.087 413 I HA -0.243 3.929 4.170 0.003 0.000 0.240 413 I C 2.467 178.738 176.117 0.257 0.000 1.054 413 I CA 1.448 62.792 61.300 0.073 0.000 1.311 413 I CB -0.518 37.366 38.000 -0.193 0.000 1.024 413 I HN 0.250 nan 8.210 nan 0.000 0.402 414 L N 0.642 121.870 121.223 0.008 0.000 2.046 414 L HA -0.188 4.154 4.340 0.003 0.000 0.208 414 L C 2.276 179.062 176.870 -0.140 0.000 1.077 414 L CA 1.813 56.482 54.840 -0.285 0.000 0.747 414 L CB -0.458 41.273 42.059 -0.547 0.000 0.896 414 L HN 0.154 nan 8.230 nan 0.000 0.432 415 L N -0.788 120.339 121.223 -0.159 0.000 2.201 415 L HA -0.130 4.212 4.340 0.003 0.000 0.212 415 L C 2.533 179.375 176.870 -0.046 0.000 1.105 415 L CA 1.167 55.900 54.840 -0.179 0.000 0.775 415 L CB -0.492 41.420 42.059 -0.246 0.000 0.913 415 L HN 0.446 nan 8.230 nan 0.000 0.440 416 E N -0.564 119.653 120.200 0.029 0.000 2.230 416 E HA -0.156 4.196 4.350 0.003 0.000 0.192 416 E C 1.507 178.085 176.600 -0.037 0.000 0.987 416 E CA 0.872 57.277 56.400 0.009 0.000 0.841 416 E CB 0.299 30.024 29.700 0.042 0.000 0.783 416 E HN 0.586 nan 8.360 nan 0.000 0.481 417 H N -1.228 117.938 119.070 0.160 0.000 2.654 417 H HA 0.276 4.834 4.556 0.004 0.000 0.264 417 H C 0.610 176.063 175.328 0.209 0.000 0.954 417 H CA 0.619 56.801 56.048 0.224 0.000 1.199 417 H CB 1.084 31.054 29.762 0.346 0.000 1.446 417 H HN 0.234 nan 8.280 nan 0.000 0.516 418 G N 0.087 109.027 108.800 0.233 0.000 2.787 418 G HA2 -0.238 3.724 3.960 0.003 0.000 0.685 418 G HA3 -0.238 3.724 3.960 0.003 0.000 0.685 418 G C 0.121 175.081 174.900 0.099 0.000 1.437 418 G CA -0.214 44.975 45.100 0.147 0.000 0.872 418 G HN 0.151 nan 8.290 nan 0.000 0.566 419 L N 1.196 122.418 121.223 -0.000 0.000 2.270 419 L HA 0.122 4.464 4.340 0.003 0.000 0.210 419 L C 3.102 179.987 176.870 0.024 0.000 1.104 419 L CA 2.577 57.376 54.840 -0.069 0.000 0.804 419 L CB -0.805 41.163 42.059 -0.152 0.000 0.937 419 L HN 0.844 nan 8.230 nan 0.000 0.450 420 T N -2.166 112.409 114.554 0.036 0.000 2.701 420 T HA -0.228 4.124 4.350 0.003 0.000 0.263 420 T C 1.441 176.181 174.700 0.066 0.000 1.040 420 T CA 0.820 62.941 62.100 0.034 0.000 1.147 420 T CB -0.287 68.599 68.868 0.029 0.000 0.865 420 T HN 0.042 nan 8.240 nan 0.000 0.426 421 Q N 0.183 120.047 119.800 0.107 0.000 3.179 421 Q HA 0.396 4.738 4.340 0.003 0.000 0.328 421 Q C -0.332 175.748 176.000 0.132 0.000 1.336 421 Q CA -0.203 55.667 55.803 0.111 0.000 0.939 421 Q CB -0.889 27.932 28.738 0.139 0.000 1.658 421 Q HN 0.590 nan 8.270 nan 0.000 0.486 422 F N -1.892 117.966 119.950 -0.154 0.000 2.656 422 F HA 0.079 4.608 4.527 0.003 0.000 0.384 422 F C 1.048 176.596 175.800 -0.419 0.000 0.822 422 F CA 0.110 57.882 58.000 -0.380 0.000 0.994 422 F CB 0.583 39.379 39.000 -0.340 0.000 1.019 422 F HN 0.084 nan 8.300 nan 0.000 0.611 423 V N 0.329 120.243 119.914 0.001 0.000 2.535 423 V HA -0.130 3.992 4.120 0.003 0.000 0.246 423 V C 1.814 177.923 176.094 0.026 0.000 1.045 423 V CA 2.124 64.423 62.300 -0.002 0.000 1.058 423 V CB -0.114 31.696 31.823 -0.022 0.000 0.689 423 V HN 0.243 nan 8.190 nan 0.000 0.461 424 E N 0.207 120.421 120.200 0.024 0.000 2.051 424 E HA -0.173 4.179 4.350 0.003 0.000 0.192 424 E C 2.338 178.977 176.600 0.065 0.000 0.991 424 E CA 1.707 58.139 56.400 0.053 0.000 0.799 424 E CB -0.184 29.549 29.700 0.054 0.000 0.748 424 E HN 0.530 nan 8.360 nan 0.000 0.449 425 S N 0.429 116.137 115.700 0.013 0.000 2.383 425 S HA -0.092 4.380 4.470 0.003 0.000 0.227 425 S C 1.587 176.327 174.600 0.234 0.000 1.026 425 S CA 0.768 58.992 58.200 0.040 0.000 0.981 425 S CB -0.148 62.986 63.200 -0.110 0.000 0.818 425 S HN 0.175 nan 8.310 nan 0.000 0.472 426 F N 2.188 122.153 119.950 0.026 0.000 2.293 426 F HA 0.069 4.599 4.527 0.004 0.000 0.297 426 F C 2.659 178.505 175.800 0.076 0.000 1.089 426 F CA 0.239 58.285 58.000 0.077 0.000 1.377 426 F CB -1.799 37.292 39.000 0.151 0.000 1.051 426 F HN 0.130 nan 8.300 nan 0.000 0.511 427 T N -0.003 114.691 114.554 0.234 0.000 2.803 427 T HA -0.179 4.173 4.350 0.003 0.000 0.269 427 T C 0.836 175.618 174.700 0.137 0.000 1.052 427 T CA 1.129 63.306 62.100 0.128 0.000 1.136 427 T CB -0.254 68.647 68.868 0.055 0.000 0.864 427 T HN -0.069 nan 8.240 nan 0.000 0.467 428 R N 1.673 122.258 120.500 0.141 0.000 2.335 428 R HA 0.502 4.844 4.340 0.003 0.000 0.302 428 R C -0.399 175.952 176.300 0.086 0.000 1.147 428 R CA -0.153 56.011 56.100 0.106 0.000 1.111 428 R CB 0.549 30.904 30.300 0.092 0.000 1.122 428 R HN 0.207 nan 8.270 nan 0.000 0.557 429 Q N 2.732 122.568 119.800 0.060 0.000 3.943 429 Q HA 0.099 4.441 4.340 0.003 0.000 0.143 429 Q C -0.986 175.006 176.000 -0.013 0.000 0.840 429 Q CA -0.130 55.679 55.803 0.009 0.000 1.000 429 Q CB 0.561 29.308 28.738 0.015 0.000 1.524 429 Q HN 0.667 nan 8.270 nan 0.000 0.534 430 I N 1.732 122.303 120.570 0.002 0.000 3.115 430 I HA 0.009 4.181 4.170 0.003 0.000 0.315 430 I C 0.045 176.199 176.117 0.062 0.000 1.211 430 I CA 1.107 62.423 61.300 0.028 0.000 1.453 430 I CB 0.554 38.590 38.000 0.060 0.000 1.307 430 I HN 0.665 nan 8.210 nan 0.000 0.568 431 A N 5.726 128.585 122.820 0.065 0.000 2.330 431 A HA 0.706 5.028 4.320 0.003 0.000 0.329 431 A C 0.112 177.765 177.584 0.116 0.000 1.135 431 A CA -0.076 52.028 52.037 0.111 0.000 0.817 431 A CB 0.986 19.992 19.000 0.010 0.000 1.269 431 A HN 0.885 nan 8.150 nan 0.000 0.469 432 G N 0.022 108.888 108.800 0.111 0.000 2.544 432 G HA2 0.405 4.367 3.960 0.003 0.000 0.242 432 G HA3 0.405 4.367 3.960 0.003 0.000 0.242 432 G C 0.243 174.973 174.900 -0.284 0.000 1.247 432 G CA -0.417 44.515 45.100 -0.280 0.000 0.840 432 G HN 0.843 nan 8.290 nan 0.000 0.578 433 R N 0.654 120.930 120.500 -0.372 0.000 2.590 433 R HA 0.191 4.533 4.340 0.003 0.000 0.274 433 R C 0.996 177.117 176.300 -0.298 0.000 1.061 433 R CA -0.452 55.437 56.100 -0.352 0.000 1.081 433 R CB 0.845 30.950 30.300 -0.326 0.000 0.984 433 R HN 0.289 nan 8.270 nan 0.000 0.448 434 V N 3.091 122.801 119.914 -0.339 0.000 2.403 434 V HA 0.065 4.187 4.120 0.003 0.000 0.239 434 V C 1.051 177.050 176.094 -0.158 0.000 1.041 434 V CA 1.446 63.611 62.300 -0.225 0.000 1.051 434 V CB -0.490 31.165 31.823 -0.279 0.000 0.704 434 V HN 0.893 nan 8.190 nan 0.000 0.472 435 A N -0.656 122.068 122.820 -0.159 0.000 2.267 435 A HA 0.573 4.895 4.320 0.003 0.000 0.271 435 A C 1.460 178.962 177.584 -0.137 0.000 1.131 435 A CA 0.688 52.663 52.037 -0.103 0.000 0.818 435 A CB -0.124 18.848 19.000 -0.047 0.000 1.118 435 A HN 1.175 nan 8.150 nan 0.000 0.501 436 G N -1.702 107.030 108.800 -0.113 0.000 3.642 436 G HA2 0.420 4.382 3.960 0.003 0.000 0.205 436 G HA3 0.420 4.382 3.960 0.003 0.000 0.205 436 G C 1.109 175.944 174.900 -0.108 0.000 1.526 436 G CA 0.565 45.593 45.100 -0.119 0.000 1.097 436 G HN 2.888 nan 8.290 nan 0.000 0.596 437 G N -1.243 107.489 108.800 -0.113 0.000 2.340 437 G HA2 0.582 4.544 3.960 0.003 0.000 0.300 437 G HA3 0.582 4.544 3.960 0.003 0.000 0.300 437 G C -0.145 174.697 174.900 -0.096 0.000 1.488 437 G CA 0.263 45.305 45.100 -0.096 0.000 0.878 437 G HN 1.295 nan 8.290 nan 0.000 0.618 438 R N -0.215 120.240 120.500 -0.075 0.000 1.946 438 R HA -0.229 4.113 4.340 0.003 0.000 0.197 438 R C 0.484 176.740 176.300 -0.073 0.000 0.624 438 R CA 0.999 57.061 56.100 -0.063 0.000 0.407 438 R CB -0.576 29.692 30.300 -0.053 0.000 1.447 438 R HN 0.393 nan 8.270 nan 0.000 0.555 439 N N -0.389 118.266 118.700 -0.076 0.000 2.299 439 N HA 0.082 4.824 4.740 0.003 0.000 0.246 439 N C -1.057 174.439 175.510 -0.023 0.000 1.254 439 N CA -0.113 52.884 53.050 -0.088 0.000 0.879 439 N CB 1.073 39.461 38.487 -0.166 0.000 1.214 439 N HN 0.047 nan 8.380 nan 0.000 0.510 440 V N 2.577 122.498 119.914 0.011 0.000 2.389 440 V HA 0.328 4.450 4.120 0.003 0.000 0.264 440 V C -2.033 174.090 176.094 0.049 0.000 1.049 440 V CA -1.579 60.763 62.300 0.070 0.000 0.932 440 V CB 0.928 32.806 31.823 0.092 0.000 1.011 440 V HN 0.123 nan 8.190 nan 0.000 0.475 441 P HA 0.053 nan 4.420 nan 0.000 0.261 441 P C 0.897 178.172 177.300 -0.041 0.000 1.183 441 P CA 0.094 63.181 63.100 -0.021 0.000 0.761 441 P CB 0.464 32.159 31.700 -0.008 0.000 0.785 442 I N 3.301 123.824 120.570 -0.079 0.000 2.761 442 I HA -0.295 3.877 4.170 0.003 0.000 0.266 442 I C 1.983 178.064 176.117 -0.060 0.000 1.239 442 I CA 1.625 62.890 61.300 -0.059 0.000 1.451 442 I CB -0.726 37.234 38.000 -0.066 0.000 1.096 442 I HN 0.388 nan 8.210 nan 0.000 0.465 443 A N -0.270 122.478 122.820 -0.119 0.000 1.843 443 A HA -0.027 4.295 4.320 0.003 0.000 0.213 443 A C 1.902 179.532 177.584 0.077 0.000 1.202 443 A CA 1.073 53.085 52.037 -0.043 0.000 0.607 443 A CB -0.792 18.099 19.000 -0.182 0.000 0.847 443 A HN 0.147 nan 8.150 nan 0.000 0.445 444 V N 2.087 122.071 119.914 0.116 0.000 3.451 444 V HA -0.106 4.016 4.120 0.003 0.000 0.332 444 V C 2.024 178.139 176.094 0.036 0.000 1.198 444 V CA 1.270 63.606 62.300 0.061 0.000 1.317 444 V CB -1.648 30.189 31.823 0.023 0.000 1.117 444 V HN 0.857 nan 8.190 nan 0.000 0.421 445 Q N 1.114 120.941 119.800 0.044 0.000 2.163 445 Q HA 0.005 4.347 4.340 0.003 0.000 0.198 445 Q C 2.176 178.205 176.000 0.049 0.000 0.954 445 Q CA 1.382 57.215 55.803 0.049 0.000 0.851 445 Q CB -0.359 28.396 28.738 0.030 0.000 0.928 445 Q HN 0.432 nan 8.270 nan 0.000 0.459 446 A N 1.246 124.090 122.820 0.040 0.000 1.948 446 A HA -0.145 4.177 4.320 0.003 0.000 0.220 446 A C 2.258 179.858 177.584 0.027 0.000 1.177 446 A CA 1.707 53.764 52.037 0.033 0.000 0.636 446 A CB -0.911 18.112 19.000 0.038 0.000 0.815 446 A HN 0.263 nan 8.150 nan 0.000 0.449 447 V N -0.293 119.638 119.914 0.029 0.000 2.216 447 V HA -0.226 3.896 4.120 0.003 0.000 0.242 447 V C 3.032 179.151 176.094 0.040 0.000 1.042 447 V CA 2.016 64.335 62.300 0.033 0.000 0.991 447 V CB -1.447 30.367 31.823 -0.015 0.000 0.633 447 V HN 0.608 nan 8.190 nan 0.000 0.449 448 A N -0.749 122.150 122.820 0.133 0.000 2.093 448 A HA -0.298 4.024 4.320 0.003 0.000 0.222 448 A C 2.307 179.972 177.584 0.135 0.000 1.162 448 A CA 2.206 54.376 52.037 0.222 0.000 0.655 448 A CB -0.551 18.668 19.000 0.365 0.000 0.805 448 A HN 0.463 nan 8.150 nan 0.000 0.461 449 K N -0.366 120.076 120.400 0.070 0.000 2.007 449 K HA -0.031 4.291 4.320 0.003 0.000 0.206 449 K C 2.331 178.919 176.600 -0.020 0.000 1.047 449 K CA 1.214 57.526 56.287 0.042 0.000 0.937 449 K CB -0.496 32.023 32.500 0.031 0.000 0.718 449 K HN 0.374 nan 8.250 nan 0.000 0.438 450 A N 1.150 123.942 122.820 -0.046 0.000 1.859 450 A HA -0.198 4.124 4.320 0.003 0.000 0.217 450 A C 2.311 179.778 177.584 -0.194 0.000 1.198 450 A CA 2.549 54.534 52.037 -0.087 0.000 0.629 450 A CB -1.018 17.942 19.000 -0.067 0.000 0.830 450 A HN 0.405 nan 8.150 nan 0.000 0.446 451 S N -0.290 115.203 115.700 -0.343 0.000 2.400 451 S HA -0.212 4.260 4.470 0.003 0.000 0.234 451 S C 1.777 176.056 174.600 -0.535 0.000 1.049 451 S CA 1.750 59.533 58.200 -0.694 0.000 1.039 451 S CB -0.595 61.768 63.200 -1.394 0.000 0.856 451 S HN 0.524 nan 8.310 nan 0.000 0.465 452 I N 1.373 121.793 120.570 -0.250 0.000 2.202 452 I HA -0.169 4.003 4.170 0.003 0.000 0.242 452 I C 1.988 178.053 176.117 -0.087 0.000 1.091 452 I CA 1.195 62.461 61.300 -0.056 0.000 1.368 452 I CB -0.392 37.666 38.000 0.096 0.000 1.058 452 I HN 0.200 nan 8.210 nan 0.000 0.410 453 D N 0.426 120.778 120.400 -0.079 0.000 2.178 453 D HA -0.174 4.468 4.640 0.003 0.000 0.202 453 D C 2.189 178.443 176.300 -0.077 0.000 0.974 453 D CA 1.149 55.115 54.000 -0.057 0.000 0.841 453 D CB -0.132 40.646 40.800 -0.037 0.000 0.953 453 D HN 0.489 nan 8.370 nan 0.000 0.478 454 Q N 0.345 120.065 119.800 -0.133 0.000 2.020 454 Q HA -0.024 4.318 4.340 0.003 0.000 0.198 454 Q C 2.343 178.240 176.000 -0.172 0.000 0.974 454 Q CA 0.860 56.586 55.803 -0.128 0.000 0.829 454 Q CB -0.048 28.602 28.738 -0.146 0.000 0.894 454 Q HN 0.042 nan 8.270 nan 0.000 0.433 455 S N 0.623 116.117 115.700 -0.342 0.000 2.420 455 S HA -0.157 4.315 4.470 0.003 0.000 0.237 455 S C 1.745 176.241 174.600 -0.174 0.000 1.023 455 S CA 0.932 58.797 58.200 -0.558 0.000 0.991 455 S CB -0.122 62.559 63.200 -0.864 0.000 0.792 455 S HN 0.248 nan 8.310 nan 0.000 0.488 456 R N 1.433 121.878 120.500 -0.092 0.000 2.062 456 R HA -0.105 4.237 4.340 0.003 0.000 0.231 456 R C 2.375 178.691 176.300 0.027 0.000 1.136 456 R CA 1.688 57.789 56.100 0.001 0.000 0.948 456 R CB -0.791 29.509 30.300 -0.001 0.000 0.845 456 R HN 0.757 nan 8.270 nan 0.000 0.430 457 E N 0.423 120.629 120.200 0.009 0.000 2.208 457 E HA -0.089 4.263 4.350 0.003 0.000 0.193 457 E C 1.469 178.089 176.600 0.034 0.000 0.988 457 E CA 0.731 57.145 56.400 0.023 0.000 0.828 457 E CB -0.196 29.517 29.700 0.021 0.000 0.763 457 E HN 0.220 nan 8.360 nan 0.000 0.478 458 M N 1.183 120.818 119.600 0.059 0.000 2.696 458 M HA 0.092 4.574 4.480 0.003 0.000 0.220 458 M C -0.188 176.196 176.300 0.140 0.000 1.133 458 M CA 0.401 55.758 55.300 0.095 0.000 1.016 458 M CB -0.341 32.380 32.600 0.201 0.000 1.740 458 M HN -0.007 nan 8.290 nan 0.000 0.502 459 K N 0.280 120.745 120.400 0.108 0.000 3.100 459 K HA -0.224 4.098 4.320 0.003 0.000 0.261 459 K C -0.478 176.206 176.600 0.141 0.000 0.920 459 K CA 0.669 57.013 56.287 0.095 0.000 0.683 459 K CB -1.922 30.593 32.500 0.024 0.000 1.349 459 K HN 0.278 nan 8.250 nan 0.000 0.473 460 Y N 0.845 121.160 120.300 0.026 0.000 2.341 460 Y HA -0.096 4.455 4.550 0.003 0.000 0.357 460 Y C 1.599 177.575 175.900 0.125 0.000 1.261 460 Y CA 0.641 58.798 58.100 0.094 0.000 1.547 460 Y CB 0.351 38.858 38.460 0.078 0.000 1.363 460 Y HN 0.206 nan 8.280 nan 0.000 0.692 461 Q N -0.671 119.350 119.800 0.369 0.000 2.418 461 Q HA 0.358 4.700 4.340 0.003 0.000 0.276 461 Q C -0.660 175.534 176.000 0.323 0.000 1.081 461 Q CA -1.022 54.926 55.803 0.242 0.000 0.864 461 Q CB 1.825 30.563 28.738 0.000 0.000 1.384 461 Q HN 0.671 nan 8.270 nan 0.000 0.467 462 S N 0.192 115.991 115.700 0.166 0.000 2.558 462 S HA -0.072 4.400 4.470 0.003 0.000 0.291 462 S C 0.995 175.723 174.600 0.213 0.000 1.306 462 S CA -0.215 58.066 58.200 0.135 0.000 1.056 462 S CB 0.292 63.520 63.200 0.047 0.000 0.836 462 S HN 0.587 nan 8.310 nan 0.000 0.504 463 L N 5.078 126.377 121.223 0.126 0.000 2.131 463 L HA -0.064 4.278 4.340 0.003 0.000 0.210 463 L C 1.788 178.698 176.870 0.067 0.000 1.092 463 L CA 2.136 57.041 54.840 0.107 0.000 0.759 463 L CB -0.954 41.102 42.059 -0.005 0.000 0.903 463 L HN 0.850 nan 8.230 nan 0.000 0.435 464 N N -0.821 117.879 118.700 0.001 0.000 2.142 464 N HA -0.164 4.578 4.740 0.003 0.000 0.186 464 N C 1.646 177.138 175.510 -0.031 0.000 1.023 464 N CA 1.138 54.156 53.050 -0.054 0.000 0.852 464 N CB -0.040 38.408 38.487 -0.064 0.000 0.998 464 N HN 0.373 nan 8.380 nan 0.000 0.424 465 E N 0.566 120.756 120.200 -0.017 0.000 2.038 465 E HA -0.196 4.156 4.350 0.003 0.000 0.195 465 E C 1.737 178.277 176.600 -0.099 0.000 1.000 465 E CA 1.302 57.645 56.400 -0.094 0.000 0.803 465 E CB -0.569 29.036 29.700 -0.158 0.000 0.750 465 E HN 0.542 nan 8.360 nan 0.000 0.448 466 Y N 0.964 121.272 120.300 0.013 0.000 2.256 466 Y HA -0.156 4.395 4.550 0.002 0.000 0.288 466 Y C 2.627 178.588 175.900 0.101 0.000 1.155 466 Y CA 1.351 59.501 58.100 0.082 0.000 1.203 466 Y CB -0.139 38.352 38.460 0.052 0.000 0.980 466 Y HN 0.001 nan 8.280 nan 0.000 0.530 467 R N 0.223 120.797 120.500 0.123 0.000 2.066 467 R HA -0.145 4.197 4.340 0.003 0.000 0.232 467 R C 2.099 178.422 176.300 0.038 0.000 1.131 467 R CA 1.635 57.750 56.100 0.026 0.000 0.955 467 R CB -0.224 29.991 30.300 -0.142 0.000 0.851 467 R HN 0.314 nan 8.270 nan 0.000 0.432 468 K N 0.092 120.486 120.400 -0.010 0.000 2.057 468 K HA -0.183 4.139 4.320 0.003 0.000 0.207 468 K C 2.111 178.693 176.600 -0.031 0.000 1.049 468 K CA 1.324 57.587 56.287 -0.041 0.000 0.931 468 K CB -0.177 32.275 32.500 -0.080 0.000 0.714 468 K HN -0.080 nan 8.250 nan 0.000 0.440 469 R N 1.126 121.615 120.500 -0.017 0.000 2.103 469 R HA -0.126 4.216 4.340 0.003 0.000 0.242 469 R C 1.083 177.282 176.300 -0.169 0.000 1.142 469 R CA 1.618 57.666 56.100 -0.085 0.000 0.960 469 R CB -0.594 29.676 30.300 -0.051 0.000 0.858 469 R HN 0.131 nan 8.270 nan 0.000 0.439 470 F N 0.906 120.816 119.950 -0.066 0.000 2.663 470 F HA 0.267 4.796 4.527 0.003 0.000 0.299 470 F C 0.452 176.226 175.800 -0.043 0.000 1.143 470 F CA 0.240 58.193 58.000 -0.078 0.000 1.387 470 F CB -0.152 38.789 39.000 -0.097 0.000 1.019 470 F HN -0.054 nan 8.300 nan 0.000 0.523 471 S N 0.536 116.269 115.700 0.054 0.000 3.698 471 S HA -0.187 4.286 4.470 0.003 0.000 0.338 471 S C -0.120 174.519 174.600 0.064 0.000 1.089 471 S CA 0.166 58.403 58.200 0.061 0.000 0.991 471 S CB -2.101 61.167 63.200 0.114 0.000 0.909 471 S HN 0.296 nan 8.310 nan 0.000 0.485 472 L N 0.282 121.531 121.223 0.043 0.000 2.334 472 L HA 0.506 4.848 4.340 0.003 0.000 0.273 472 L C 0.557 177.402 176.870 -0.041 0.000 1.013 472 L CA -0.851 53.994 54.840 0.007 0.000 0.816 472 L CB 1.201 43.251 42.059 -0.014 0.000 1.278 472 L HN 0.002 nan 8.230 nan 0.000 0.431 473 K N 3.141 123.512 120.400 -0.049 0.000 2.297 473 K HA 0.278 4.600 4.320 0.003 0.000 0.286 473 K C -2.263 174.257 176.600 -0.133 0.000 1.053 473 K CA -1.548 54.704 56.287 -0.059 0.000 0.940 473 K CB 0.850 33.340 32.500 -0.016 0.000 1.019 473 K HN 0.281 nan 8.250 nan 0.000 0.475 474 P HA -0.068 nan 4.420 nan 0.000 0.269 474 P C -0.908 176.338 177.300 -0.090 0.000 1.209 474 P CA 0.007 63.002 63.100 -0.175 0.000 0.776 474 P CB 0.340 31.980 31.700 -0.101 0.000 0.876 475 Y N 0.980 121.247 120.300 -0.056 0.000 2.544 475 Y HA 0.005 4.557 4.550 0.004 0.000 0.330 475 Y C 2.150 178.004 175.900 -0.077 0.000 1.136 475 Y CA 0.122 58.180 58.100 -0.070 0.000 1.417 475 Y CB -0.456 37.940 38.460 -0.108 0.000 1.229 475 Y HN 0.384 nan 8.280 nan 0.000 0.532 476 T N -1.879 112.759 114.554 0.140 0.000 3.055 476 T HA 0.097 4.449 4.350 0.003 0.000 0.265 476 T C 0.236 174.966 174.700 0.050 0.000 1.111 476 T CA 0.600 62.739 62.100 0.065 0.000 1.118 476 T CB -0.193 68.709 68.868 0.057 0.000 0.909 476 T HN 0.489 nan 8.240 nan 0.000 0.501 477 S N -0.581 115.141 115.700 0.037 0.000 2.543 477 S HA 0.528 5.000 4.470 0.003 0.000 0.274 477 S C -0.136 174.485 174.600 0.035 0.000 1.149 477 S CA -1.002 57.245 58.200 0.080 0.000 0.866 477 S CB 0.417 63.674 63.200 0.094 0.000 1.111 477 S HN -0.081 nan 8.310 nan 0.000 0.457 478 F N 1.300 121.232 119.950 -0.029 0.000 2.250 478 F HA -0.026 4.500 4.527 -0.002 0.000 0.301 478 F C 2.216 177.949 175.800 -0.111 0.000 1.077 478 F CA 1.435 59.397 58.000 -0.063 0.000 1.348 478 F CB -0.757 38.226 39.000 -0.028 0.000 1.040 478 F HN 0.608 nan 8.300 nan 0.000 0.509 479 E N 0.097 120.379 120.200 0.136 0.000 2.106 479 E HA -0.198 4.154 4.350 0.003 0.000 0.192 479 E C 2.074 178.627 176.600 -0.077 0.000 0.984 479 E CA 1.235 57.648 56.400 0.023 0.000 0.806 479 E CB -0.398 29.323 29.700 0.036 0.000 0.750 479 E HN 0.545 nan 8.360 nan 0.000 0.458 480 E N 0.370 120.501 120.200 -0.115 0.000 2.106 480 E HA -0.182 4.170 4.350 0.003 0.000 0.192 480 E C 1.957 178.243 176.600 -0.523 0.000 0.984 480 E CA 0.701 56.973 56.400 -0.214 0.000 0.806 480 E CB -0.056 29.574 29.700 -0.117 0.000 0.750 480 E HN 0.222 nan 8.360 nan 0.000 0.458 481 L N 1.001 121.801 121.223 -0.706 0.000 1.994 481 L HA -0.153 4.189 4.340 0.003 0.000 0.208 481 L C 2.527 179.113 176.870 -0.474 0.000 1.071 481 L CA 2.786 57.026 54.840 -1.000 0.000 0.745 481 L CB -1.028 40.695 42.059 -0.559 0.000 0.892 481 L HN 0.355 nan 8.230 nan 0.000 0.431 482 T N -3.819 110.583 114.554 -0.253 0.000 2.896 482 T HA 0.201 4.553 4.350 0.003 0.000 0.263 482 T C 1.764 176.384 174.700 -0.133 0.000 1.050 482 T CA 0.964 62.974 62.100 -0.149 0.000 1.140 482 T CB -0.608 68.212 68.868 -0.080 0.000 0.877 482 T HN 0.774 nan 8.240 nan 0.000 0.457 483 G N 1.659 110.380 108.800 -0.132 0.000 2.253 483 G HA2 -0.255 3.707 3.960 0.003 0.000 0.251 483 G HA3 -0.255 3.707 3.960 0.003 0.000 0.251 483 G C 0.087 174.944 174.900 -0.071 0.000 0.998 483 G CA 0.632 45.672 45.100 -0.099 0.000 0.621 483 G HN 0.994 nan 8.290 nan 0.000 0.524 484 E N -1.355 118.805 120.200 -0.067 0.000 2.568 484 E HA 0.897 5.249 4.350 0.003 0.000 0.242 484 E C 0.848 177.423 176.600 -0.042 0.000 0.945 484 E CA -0.819 55.549 56.400 -0.052 0.000 0.918 484 E CB 0.600 30.267 29.700 -0.054 0.000 1.386 484 E HN -0.080 nan 8.360 nan 0.000 0.426 485 K N -0.958 119.420 120.400 -0.036 0.000 2.567 485 K HA 0.141 4.463 4.320 0.003 0.000 0.218 485 K C 1.315 177.896 176.600 -0.031 0.000 1.440 485 K CA 0.376 56.645 56.287 -0.029 0.000 0.995 485 K CB 0.574 33.058 32.500 -0.027 0.000 1.186 485 K HN 0.682 nan 8.250 nan 0.000 0.593 486 E N 0.988 121.168 120.200 -0.033 0.000 2.015 486 E HA -0.084 4.268 4.350 0.003 0.000 0.191 486 E C 1.836 178.417 176.600 -0.032 0.000 0.991 486 E CA 1.249 57.629 56.400 -0.033 0.000 0.802 486 E CB 0.111 29.791 29.700 -0.033 0.000 0.759 486 E HN 0.102 nan 8.360 nan 0.000 0.447 487 M N 0.496 120.079 119.600 -0.028 0.000 2.067 487 M HA -0.163 4.319 4.480 0.003 0.000 0.260 487 M C 2.541 178.839 176.300 -0.003 0.000 1.069 487 M CA 1.472 56.762 55.300 -0.016 0.000 1.117 487 M CB -0.438 32.151 32.600 -0.019 0.000 1.334 487 M HN 0.226 nan 8.290 nan 0.000 0.407 488 A N 0.911 123.732 122.820 0.002 0.000 1.870 488 A HA -0.254 4.068 4.320 0.003 0.000 0.219 488 A C 2.387 179.953 177.584 -0.030 0.000 1.224 488 A CA 2.789 54.849 52.037 0.038 0.000 0.650 488 A CB -1.345 17.670 19.000 0.025 0.000 0.836 488 A HN 0.557 nan 8.150 nan 0.000 0.454 489 A N -1.116 121.668 122.820 -0.060 0.000 2.019 489 A HA -0.099 4.223 4.320 0.003 0.000 0.219 489 A C 1.937 179.442 177.584 -0.132 0.000 1.164 489 A CA 2.187 54.157 52.037 -0.111 0.000 0.644 489 A CB -0.441 18.516 19.000 -0.072 0.000 0.805 489 A HN 0.613 nan 8.150 nan 0.000 0.449 490 E N 0.190 120.341 120.200 -0.081 0.000 2.106 490 E HA -0.081 4.271 4.350 0.003 0.000 0.192 490 E C 1.743 178.307 176.600 -0.060 0.000 0.984 490 E CA 1.104 57.468 56.400 -0.061 0.000 0.806 490 E CB -0.367 29.316 29.700 -0.030 0.000 0.750 490 E HN 0.601 nan 8.360 nan 0.000 0.458 491 L N 0.196 121.394 121.223 -0.042 0.000 2.007 491 L HA -0.090 4.252 4.340 0.003 0.000 0.205 491 L C 2.460 179.170 176.870 -0.266 0.000 1.073 491 L CA 1.421 56.300 54.840 0.065 0.000 0.744 491 L CB -0.576 41.661 42.059 0.298 0.000 0.898 491 L HN 0.095 nan 8.230 nan 0.000 0.435 492 K N 1.022 120.879 120.400 -0.905 0.000 2.189 492 K HA -0.249 4.073 4.320 0.003 0.000 0.207 492 K C 1.877 178.147 176.600 -0.550 0.000 1.046 492 K CA 1.779 57.212 56.287 -1.424 0.000 0.928 492 K CB -0.449 31.480 32.500 -0.952 0.000 0.720 492 K HN 0.285 nan 8.250 nan 0.000 0.458 493 A N -0.032 122.604 122.820 -0.305 0.000 1.908 493 A HA -0.111 4.211 4.320 0.003 0.000 0.218 493 A C 1.963 179.468 177.584 -0.130 0.000 1.181 493 A CA 2.004 53.940 52.037 -0.167 0.000 0.627 493 A CB -0.487 18.444 19.000 -0.114 0.000 0.818 493 A HN 0.311 nan 8.150 nan 0.000 0.445 494 L N -3.472 117.680 121.223 -0.118 0.000 2.269 494 L HA 0.152 4.494 4.340 0.003 0.000 0.200 494 L C 2.256 179.041 176.870 -0.141 0.000 1.069 494 L CA 0.946 55.697 54.840 -0.149 0.000 0.804 494 L CB -1.090 40.841 42.059 -0.213 0.000 0.987 494 L HN 0.310 nan 8.230 nan 0.000 0.468 495 Y N 0.184 120.535 120.300 0.084 0.000 2.373 495 Y HA -0.094 4.456 4.550 0.001 0.000 0.293 495 Y C 2.134 178.215 175.900 0.301 0.000 1.129 495 Y CA 0.756 59.014 58.100 0.264 0.000 1.226 495 Y CB -0.138 38.648 38.460 0.543 0.000 1.000 495 Y HN 0.188 nan 8.280 nan 0.000 0.549 496 S N -1.320 114.543 115.700 0.270 0.000 1.832 496 S HA -0.314 4.158 4.470 0.003 0.000 0.231 496 S C 0.179 175.053 174.600 0.456 0.000 0.901 496 S CA 1.748 60.070 58.200 0.204 0.000 1.687 496 S CB -1.338 61.936 63.200 0.124 0.000 1.858 496 S HN 0.546 nan 8.310 nan 0.000 0.523 497 D N 0.567 121.233 120.400 0.443 0.000 2.168 497 D HA 0.554 5.196 4.640 0.003 0.000 0.246 497 D C 0.696 177.082 176.300 0.144 0.000 1.050 497 D CA -0.439 53.736 54.000 0.293 0.000 0.857 497 D CB 1.290 42.182 40.800 0.154 0.000 1.169 497 D HN 0.142 nan 8.370 nan 0.000 0.453 498 I N 2.293 122.776 120.570 -0.144 0.000 2.394 498 I HA -0.138 4.034 4.170 0.003 0.000 0.251 498 I C 0.690 176.665 176.117 -0.237 0.000 1.136 498 I CA 1.170 62.123 61.300 -0.579 0.000 1.425 498 I CB -0.058 37.688 38.000 -0.424 0.000 1.079 498 I HN 0.330 nan 8.210 nan 0.000 0.425 499 D N 0.292 120.642 120.400 -0.082 0.000 2.652 499 D HA 0.072 4.714 4.640 0.003 0.000 0.247 499 D C 0.840 177.145 176.300 0.009 0.000 1.232 499 D CA 0.352 54.331 54.000 -0.035 0.000 0.863 499 D CB 0.204 40.999 40.800 -0.009 0.000 1.023 499 D HN 0.262 nan 8.370 nan 0.000 0.474 500 V N -0.197 119.728 119.914 0.018 0.000 3.623 500 V HA 0.045 4.167 4.120 0.003 0.000 0.283 500 V C 0.080 176.260 176.094 0.144 0.000 1.643 500 V CA -0.390 61.980 62.300 0.117 0.000 1.121 500 V CB 0.441 32.379 31.823 0.192 0.000 0.933 500 V HN 0.097 nan 8.190 nan 0.000 0.420 501 M N 1.860 121.403 119.600 -0.094 0.000 2.217 501 M HA 0.411 4.893 4.480 0.003 0.000 0.354 501 M C 0.405 176.576 176.300 -0.216 0.000 1.225 501 M CA 0.185 55.233 55.300 -0.420 0.000 1.137 501 M CB 0.157 32.430 32.600 -0.545 0.000 1.576 501 M HN 0.306 nan 8.290 nan 0.000 0.461 502 E N 2.609 122.673 120.200 -0.226 0.000 2.397 502 E HA 0.048 4.400 4.350 0.003 0.000 0.254 502 E C 0.444 177.019 176.600 -0.042 0.000 1.231 502 E CA -0.343 56.044 56.400 -0.023 0.000 0.954 502 E CB 0.540 30.288 29.700 0.080 0.000 1.024 502 E HN 0.780 nan 8.360 nan 0.000 0.481 503 L N 0.644 121.869 121.223 0.003 0.000 2.071 503 L HA -0.100 4.242 4.340 0.003 0.000 0.201 503 L C 2.177 179.037 176.870 -0.017 0.000 1.076 503 L CA 1.355 56.171 54.840 -0.039 0.000 0.755 503 L CB -0.582 41.401 42.059 -0.127 0.000 0.915 503 L HN 0.636 nan 8.230 nan 0.000 0.445 504 Y N 1.120 121.340 120.300 -0.134 0.000 2.053 504 Y HA -0.195 4.358 4.550 0.004 0.000 0.277 504 Y C -0.599 175.267 175.900 -0.057 0.000 1.159 504 Y CA 2.119 60.153 58.100 -0.110 0.000 1.125 504 Y CB -1.941 36.424 38.460 -0.158 0.000 0.969 504 Y HN 0.197 nan 8.280 nan 0.000 0.492 505 P HA -0.249 nan 4.420 nan 0.000 0.210 505 P C 1.564 178.730 177.300 -0.223 0.000 1.185 505 P CA 2.910 65.854 63.100 -0.261 0.000 0.924 505 P CB -0.511 31.148 31.700 -0.068 0.000 0.786 506 A N -1.189 121.539 122.820 -0.154 0.000 2.159 506 A HA -0.220 4.102 4.320 0.003 0.000 0.222 506 A C 2.188 179.724 177.584 -0.080 0.000 1.163 506 A CA 1.552 53.525 52.037 -0.107 0.000 0.664 506 A CB -1.770 17.181 19.000 -0.083 0.000 0.803 506 A HN 0.146 nan 8.150 nan 0.000 0.470 507 L N -1.202 119.953 121.223 -0.115 0.000 2.109 507 L HA -0.111 4.231 4.340 0.003 0.000 0.207 507 L C 2.450 179.263 176.870 -0.096 0.000 1.086 507 L CA 0.918 55.709 54.840 -0.081 0.000 0.760 507 L CB -0.259 41.763 42.059 -0.063 0.000 0.910 507 L HN 0.420 nan 8.230 nan 0.000 0.437 508 L N -1.434 119.684 121.223 -0.176 0.000 2.145 508 L HA -0.019 4.323 4.340 0.003 0.000 0.201 508 L C 1.386 178.182 176.870 -0.123 0.000 1.075 508 L CA 0.303 55.048 54.840 -0.159 0.000 0.773 508 L CB -0.233 41.683 42.059 -0.239 0.000 0.936 508 L HN -0.078 nan 8.230 nan 0.000 0.451 509 V N 1.485 121.325 119.914 -0.123 0.000 2.670 509 V HA 0.035 4.157 4.120 0.003 0.000 0.344 509 V C 0.278 176.321 176.094 -0.086 0.000 1.648 509 V CA 0.460 62.705 62.300 -0.092 0.000 1.673 509 V CB -1.278 30.500 31.823 -0.075 0.000 1.382 509 V HN 0.298 nan 8.190 nan 0.000 0.503 510 E N 1.264 121.415 120.200 -0.082 0.000 2.416 510 E HA 0.354 4.706 4.350 0.003 0.000 0.273 510 E C -0.474 176.080 176.600 -0.078 0.000 0.935 510 E CA -1.020 55.335 56.400 -0.075 0.000 0.784 510 E CB 1.814 31.501 29.700 -0.022 0.000 1.301 510 E HN 0.278 nan 8.360 nan 0.000 0.454 511 K N 3.520 123.868 120.400 -0.087 0.000 2.336 511 K HA 0.225 4.547 4.320 0.003 0.000 0.290 511 K C -2.388 174.176 176.600 -0.059 0.000 1.067 511 K CA -1.372 54.866 56.287 -0.081 0.000 0.962 511 K CB 0.374 32.817 32.500 -0.095 0.000 1.008 511 K HN 0.145 nan 8.250 nan 0.000 0.467 512 P HA 0.010 nan 4.420 nan 0.000 0.267 512 P C -0.816 176.434 177.300 -0.083 0.000 1.205 512 P CA 0.171 63.219 63.100 -0.086 0.000 0.765 512 P CB 0.506 32.130 31.700 -0.127 0.000 0.828 513 R N 4.965 125.418 120.500 -0.078 0.000 2.590 513 R HA 0.144 4.486 4.340 0.003 0.000 0.274 513 R C -1.609 174.611 176.300 -0.133 0.000 1.061 513 R CA -0.987 55.038 56.100 -0.126 0.000 1.081 513 R CB -0.750 29.428 30.300 -0.203 0.000 0.984 513 R HN 0.475 nan 8.270 nan 0.000 0.448 514 P HA -0.347 nan 4.420 nan 0.000 0.297 514 P C -0.653 176.581 177.300 -0.110 0.000 1.923 514 P CA 1.166 64.206 63.100 -0.100 0.000 1.732 514 P CB 0.117 31.758 31.700 -0.097 0.000 0.302 515 D N 0.059 120.391 120.400 -0.113 0.000 2.994 515 D HA 0.371 5.013 4.640 0.003 0.000 0.240 515 D C 0.189 176.391 176.300 -0.163 0.000 1.195 515 D CA 0.345 54.267 54.000 -0.130 0.000 0.957 515 D CB -0.585 40.145 40.800 -0.117 0.000 1.105 515 D HN 0.270 nan 8.370 nan 0.000 0.477 516 A N 0.315 123.031 122.820 -0.173 0.000 2.346 516 A HA 0.482 4.804 4.320 0.003 0.000 0.313 516 A C 0.919 178.312 177.584 -0.319 0.000 1.140 516 A CA -0.741 51.162 52.037 -0.224 0.000 0.826 516 A CB 1.288 20.207 19.000 -0.134 0.000 1.332 516 A HN 0.304 nan 8.150 nan 0.000 0.457 517 I N -1.087 119.170 120.570 -0.522 0.000 2.876 517 I HA 0.200 4.372 4.170 0.003 0.000 0.264 517 I C -0.686 174.957 176.117 -0.789 0.000 1.204 517 I CA 0.629 61.465 61.300 -0.774 0.000 1.485 517 I CB -0.114 37.211 38.000 -1.125 0.000 1.103 517 I HN 0.477 nan 8.210 nan 0.000 0.446 518 F N -0.224 119.592 119.950 -0.223 0.000 2.631 518 F HA 0.689 5.217 4.527 0.002 0.000 0.328 518 F C 0.681 176.418 175.800 -0.105 0.000 1.067 518 F CA -0.976 56.907 58.000 -0.195 0.000 0.969 518 F CB 0.449 39.333 39.000 -0.194 0.000 1.332 518 F HN -0.275 nan 8.300 nan 0.000 0.490 519 G N -0.608 108.280 108.800 0.146 0.000 2.471 519 G HA2 0.329 4.291 3.960 0.003 0.000 0.332 519 G HA3 0.329 4.291 3.960 0.003 0.000 0.332 519 G C 0.459 175.428 174.900 0.116 0.000 1.176 519 G CA -0.421 44.732 45.100 0.088 0.000 0.949 519 G HN 0.771 nan 8.290 nan 0.000 0.488 520 E N 0.024 120.292 120.200 0.114 0.000 2.086 520 E HA -0.261 4.091 4.350 0.003 0.000 0.205 520 E C 2.196 178.837 176.600 0.069 0.000 1.027 520 E CA 2.283 58.754 56.400 0.118 0.000 0.830 520 E CB -0.338 29.433 29.700 0.117 0.000 0.751 520 E HN 0.466 nan 8.360 nan 0.000 0.456 521 T N 1.058 115.640 114.554 0.048 0.000 2.624 521 T HA -0.277 4.075 4.350 0.003 0.000 0.268 521 T C 1.806 176.467 174.700 -0.065 0.000 1.041 521 T CA 2.280 64.365 62.100 -0.024 0.000 1.159 521 T CB -0.365 68.494 68.868 -0.015 0.000 0.863 521 T HN 0.352 nan 8.240 nan 0.000 0.434 522 M N 0.549 120.124 119.600 -0.042 0.000 2.159 522 M HA -0.030 4.452 4.480 0.003 0.000 0.263 522 M C 2.051 178.284 176.300 -0.111 0.000 1.063 522 M CA 1.350 56.588 55.300 -0.104 0.000 1.110 522 M CB -0.238 32.261 32.600 -0.169 0.000 1.374 522 M HN 0.048 nan 8.290 nan 0.000 0.411 523 V N 0.395 120.297 119.914 -0.019 0.000 2.548 523 V HA -0.141 3.981 4.120 0.003 0.000 0.249 523 V C 2.295 178.407 176.094 0.031 0.000 1.055 523 V CA 1.522 63.845 62.300 0.038 0.000 1.065 523 V CB -0.657 31.258 31.823 0.155 0.000 0.681 523 V HN 0.461 nan 8.190 nan 0.000 0.462 524 E N -0.179 120.019 120.200 -0.003 0.000 2.158 524 E HA 0.009 4.361 4.350 0.003 0.000 0.191 524 E C 2.161 178.647 176.600 -0.190 0.000 0.982 524 E CA 0.702 57.093 56.400 -0.016 0.000 0.823 524 E CB 0.003 29.725 29.700 0.036 0.000 0.766 524 E HN 0.450 nan 8.360 nan 0.000 0.468 525 L N -0.342 120.617 121.223 -0.440 0.000 2.209 525 L HA 0.064 4.406 4.340 0.003 0.000 0.207 525 L C 2.295 178.817 176.870 -0.580 0.000 1.094 525 L CA 1.226 55.447 54.840 -1.031 0.000 0.790 525 L CB -0.736 40.785 42.059 -0.897 0.000 0.932 525 L HN 0.142 nan 8.230 nan 0.000 0.447 526 G N -0.154 108.605 108.800 -0.068 0.000 2.396 526 G HA2 -0.119 3.843 3.960 0.003 0.000 0.214 526 G HA3 -0.119 3.843 3.960 0.003 0.000 0.214 526 G C 1.808 176.916 174.900 0.346 0.000 1.166 526 G CA 0.692 46.019 45.100 0.379 0.000 0.793 526 G HN 0.386 nan 8.290 nan 0.000 0.533 527 A N 1.628 124.555 122.820 0.179 0.000 1.948 527 A HA 0.014 4.336 4.320 0.003 0.000 0.220 527 A C 0.692 178.348 177.584 0.120 0.000 1.177 527 A CA 2.082 54.218 52.037 0.165 0.000 0.636 527 A CB -1.142 17.928 19.000 0.117 0.000 0.815 527 A HN 0.390 nan 8.150 nan 0.000 0.449 528 P HA -0.076 nan 4.420 nan 0.000 0.214 528 P C 1.107 178.469 177.300 0.104 0.000 1.162 528 P CA 0.795 63.923 63.100 0.046 0.000 0.874 528 P CB -0.176 31.541 31.700 0.028 0.000 0.784 529 F N -0.227 119.705 119.950 -0.031 0.000 2.154 529 F HA -0.160 4.369 4.527 0.004 0.000 0.301 529 F C 2.617 178.097 175.800 -0.534 0.000 1.087 529 F CA 1.175 58.947 58.000 -0.380 0.000 1.274 529 F CB -1.695 36.881 39.000 -0.706 0.000 1.009 529 F HN -0.054 nan 8.300 nan 0.000 0.485 530 S N -0.381 115.328 115.700 0.015 0.000 2.377 530 S HA -0.015 4.457 4.470 0.003 0.000 0.223 530 S C 2.006 176.655 174.600 0.081 0.000 1.030 530 S CA 0.533 58.816 58.200 0.138 0.000 0.970 530 S CB -0.252 63.219 63.200 0.451 0.000 0.830 530 S HN 0.272 nan 8.310 nan 0.000 0.473 531 L N 0.656 121.931 121.223 0.086 0.000 2.478 531 L HA 0.098 4.440 4.340 0.003 0.000 0.223 531 L C 2.464 179.384 176.870 0.083 0.000 1.140 531 L CA 0.486 55.370 54.840 0.072 0.000 0.842 531 L CB -0.186 41.913 42.059 0.067 0.000 0.953 531 L HN 0.108 nan 8.230 nan 0.000 0.452 532 K N 0.878 121.314 120.400 0.060 0.000 1.992 532 K HA 0.023 4.345 4.320 0.003 0.000 0.210 532 K C 1.992 178.590 176.600 -0.002 0.000 1.036 532 K CA 1.345 57.676 56.287 0.073 0.000 0.946 532 K CB -0.819 31.679 32.500 -0.003 0.000 0.742 532 K HN 0.205 nan 8.250 nan 0.000 0.442 533 G N 1.466 110.183 108.800 -0.138 0.000 2.568 533 G HA2 -0.214 3.748 3.960 0.003 0.000 0.220 533 G HA3 -0.214 3.748 3.960 0.003 0.000 0.220 533 G C 1.385 176.186 174.900 -0.165 0.000 1.104 533 G CA 0.705 45.665 45.100 -0.235 0.000 0.738 533 G HN 0.169 nan 8.290 nan 0.000 0.574 534 L N -0.626 120.561 121.223 -0.060 0.000 2.262 534 L HA 0.338 4.680 4.340 0.003 0.000 0.197 534 L C 2.704 179.595 176.870 0.034 0.000 1.073 534 L CA 0.918 55.743 54.840 -0.024 0.000 0.800 534 L CB -0.300 41.760 42.059 0.002 0.000 0.987 534 L HN 0.057 nan 8.230 nan 0.000 0.470 535 M N -0.860 118.790 119.600 0.084 0.000 2.287 535 M HA 0.169 4.651 4.480 0.003 0.000 0.266 535 M C 1.353 177.810 176.300 0.261 0.000 1.079 535 M CA 0.771 56.132 55.300 0.102 0.000 1.146 535 M CB -1.536 30.991 32.600 -0.122 0.000 1.374 535 M HN 0.247 nan 8.290 nan 0.000 0.435 536 G N 2.535 111.542 108.800 0.346 0.000 3.197 536 G HA2 0.030 3.992 3.960 0.003 0.000 0.257 536 G HA3 0.030 3.992 3.960 0.003 0.000 0.257 536 G C -0.095 174.918 174.900 0.188 0.000 0.835 536 G CA -0.157 45.073 45.100 0.217 0.000 2.001 536 G HN 0.354 nan 8.290 nan 0.000 0.625 537 N N 1.127 120.007 118.700 0.300 0.000 2.258 537 N HA 0.314 5.056 4.740 0.003 0.000 0.299 537 N C -1.635 173.979 175.510 0.174 0.000 1.047 537 N CA -1.950 51.196 53.050 0.159 0.000 0.814 537 N CB 3.328 41.873 38.487 0.098 0.000 1.413 537 N HN -0.094 nan 8.380 nan 0.000 0.478 538 P HA -0.190 nan 4.420 nan 0.000 0.216 538 P C 1.511 178.555 177.300 -0.426 0.000 1.154 538 P CA 1.536 64.454 63.100 -0.304 0.000 0.865 538 P CB -0.050 31.340 31.700 -0.517 0.000 0.789 539 I N -3.469 116.970 120.570 -0.217 0.000 3.010 539 I HA -0.088 4.084 4.170 0.003 0.000 0.271 539 I C 1.909 178.311 176.117 0.476 0.000 1.293 539 I CA 1.270 62.678 61.300 0.180 0.000 1.452 539 I CB -1.049 37.218 38.000 0.445 0.000 1.082 539 I HN -0.141 nan 8.210 nan 0.000 0.484 540 C N 1.052 120.543 119.300 0.319 0.000 2.634 540 C HA 0.202 4.664 4.460 0.003 0.000 0.268 540 C C 1.719 176.944 174.990 0.391 0.000 1.322 540 C CA 0.404 59.627 59.018 0.342 0.000 1.737 540 C CB -1.129 26.864 27.740 0.421 0.000 1.976 540 C HN 0.715 nan 8.230 nan 0.000 0.547 541 S N 2.234 117.955 115.700 0.035 0.000 2.549 541 S HA 0.164 4.636 4.470 0.003 0.000 0.279 541 S C -1.102 173.516 174.600 0.031 0.000 1.321 541 S CA -0.669 57.261 58.200 -0.450 0.000 1.054 541 S CB 0.728 63.516 63.200 -0.688 0.000 0.899 541 S HN 0.246 nan 8.310 nan 0.000 0.497 542 P HA -0.280 nan 4.420 nan 0.000 0.222 542 P C 0.969 178.233 177.300 -0.061 0.000 1.154 542 P CA 1.775 64.676 63.100 -0.331 0.000 0.874 542 P CB -0.044 31.254 31.700 -0.671 0.000 0.787 543 Q N -1.525 118.254 119.800 -0.035 0.000 2.167 543 Q HA -0.129 4.213 4.340 0.003 0.000 0.202 543 Q C 2.175 178.150 176.000 -0.041 0.000 0.970 543 Q CA 1.423 57.194 55.803 -0.055 0.000 0.855 543 Q CB -1.088 27.598 28.738 -0.086 0.000 0.911 543 Q HN 0.394 nan 8.270 nan 0.000 0.438 544 Y N -1.147 119.165 120.300 0.021 0.000 2.347 544 Y HA -0.006 4.547 4.550 0.004 0.000 0.294 544 Y C 0.733 176.730 175.900 0.162 0.000 1.117 544 Y CA -0.114 58.017 58.100 0.051 0.000 1.184 544 Y CB 0.050 38.591 38.460 0.135 0.000 1.047 544 Y HN 0.230 nan 8.280 nan 0.000 0.546 545 W N 5.117 126.596 121.300 0.297 0.000 1.282 545 W HA 0.120 4.783 4.660 0.004 0.000 0.527 545 W C -0.496 176.137 176.519 0.190 0.000 0.616 545 W CA 0.462 58.045 57.345 0.397 0.000 2.357 545 W CB -0.745 29.063 29.460 0.579 0.000 1.453 545 W HN 0.104 nan 8.180 nan 0.000 0.188 546 K N 1.974 122.163 120.400 -0.351 0.000 2.578 546 K HA 0.267 4.589 4.320 0.003 0.000 0.269 546 K C -2.629 173.485 176.600 -0.810 0.000 0.941 546 K CA -1.514 54.380 56.287 -0.656 0.000 0.847 546 K CB 1.263 33.580 32.500 -0.305 0.000 1.397 546 K HN -0.279 nan 8.250 nan 0.000 0.422 547 P HA -0.355 nan 4.420 nan 0.000 0.225 547 P C 0.960 178.119 177.300 -0.236 0.000 1.154 547 P CA 2.297 65.089 63.100 -0.514 0.000 0.933 547 P CB 0.063 31.583 31.700 -0.300 0.000 0.790 548 S N -1.375 114.191 115.700 -0.223 0.000 2.374 548 S HA -0.185 4.287 4.470 0.003 0.000 0.227 548 S C 1.887 176.378 174.600 -0.182 0.000 1.037 548 S CA 2.062 60.186 58.200 -0.128 0.000 1.024 548 S CB -1.583 61.541 63.200 -0.127 0.000 0.861 548 S HN 0.339 nan 8.310 nan 0.000 0.456 549 T N 1.570 115.869 114.554 -0.426 0.000 2.737 549 T HA -0.097 4.255 4.350 0.003 0.000 0.269 549 T C 0.957 175.344 174.700 -0.522 0.000 1.040 549 T CA 1.250 62.995 62.100 -0.591 0.000 1.142 549 T CB -0.424 67.862 68.868 -0.969 0.000 0.861 549 T HN 0.444 nan 8.240 nan 0.000 0.456 550 F N 0.486 120.499 119.950 0.105 0.000 2.660 550 F HA 0.498 5.027 4.527 0.003 0.000 0.302 550 F C 1.841 177.788 175.800 0.246 0.000 1.103 550 F CA -0.514 57.599 58.000 0.188 0.000 1.340 550 F CB -0.440 38.687 39.000 0.211 0.000 1.048 550 F HN 0.270 nan 8.300 nan 0.000 0.551 551 G N -0.427 108.604 108.800 0.385 0.000 2.175 551 G HA2 0.132 4.094 3.960 0.003 0.000 0.244 551 G HA3 0.132 4.094 3.960 0.003 0.000 0.244 551 G C 0.553 175.640 174.900 0.312 0.000 0.982 551 G CA -0.160 45.246 45.100 0.511 0.000 0.641 551 G HN 1.089 nan 8.290 nan 0.000 0.527 552 G N -1.101 107.821 108.800 0.204 0.000 2.332 552 G HA2 0.465 4.427 3.960 0.003 0.000 0.265 552 G HA3 0.465 4.427 3.960 0.003 0.000 0.265 552 G C -0.083 174.881 174.900 0.107 0.000 1.329 552 G CA 0.606 45.772 45.100 0.108 0.000 0.949 552 G HN 0.719 nan 8.290 nan 0.000 0.476 553 E N -0.931 119.319 120.200 0.083 0.000 2.340 553 E HA 0.312 4.664 4.350 0.003 0.000 0.194 553 E C 2.387 179.077 176.600 0.149 0.000 0.996 553 E CA 1.144 57.625 56.400 0.135 0.000 0.869 553 E CB 0.375 30.128 29.700 0.088 0.000 0.835 553 E HN 0.344 nan 8.360 nan 0.000 0.493 554 V N -0.038 119.924 119.914 0.079 0.000 2.227 554 V HA -0.158 3.964 4.120 0.003 0.000 0.238 554 V C 2.250 178.401 176.094 0.095 0.000 1.039 554 V CA 2.058 64.386 62.300 0.048 0.000 0.990 554 V CB -1.094 30.716 31.823 -0.021 0.000 0.635 554 V HN 0.487 nan 8.190 nan 0.000 0.453 555 G N -1.236 107.634 108.800 0.116 0.000 2.532 555 G HA2 -0.334 3.628 3.960 0.003 0.000 0.222 555 G HA3 -0.334 3.628 3.960 0.003 0.000 0.222 555 G C 1.484 176.526 174.900 0.237 0.000 1.102 555 G CA 1.111 46.316 45.100 0.175 0.000 0.742 555 G HN 0.438 nan 8.290 nan 0.000 0.577 556 F N 1.015 121.009 119.950 0.074 0.000 2.187 556 F HA 0.213 4.742 4.527 0.003 0.000 0.295 556 F C 2.331 178.094 175.800 -0.063 0.000 1.091 556 F CA 0.974 58.971 58.000 -0.005 0.000 1.308 556 F CB -0.029 38.985 39.000 0.022 0.000 1.030 556 F HN -0.025 nan 8.300 nan 0.000 0.487 557 K N 0.541 120.943 120.400 0.004 0.000 2.296 557 K HA 0.058 4.380 4.320 0.003 0.000 0.200 557 K C 2.126 178.690 176.600 -0.060 0.000 1.048 557 K CA 0.665 56.892 56.287 -0.099 0.000 0.966 557 K CB -0.505 31.979 32.500 -0.027 0.000 0.754 557 K HN 0.289 nan 8.250 nan 0.000 0.466 558 I N 0.283 120.847 120.570 -0.011 0.000 2.163 558 I HA -0.334 3.838 4.170 0.003 0.000 0.243 558 I C 1.913 178.032 176.117 0.004 0.000 1.085 558 I CA 1.441 62.747 61.300 0.010 0.000 1.347 558 I CB -0.299 37.725 38.000 0.040 0.000 1.044 558 I HN 0.104 nan 8.210 nan 0.000 0.408 559 I N 0.861 121.406 120.570 -0.042 0.000 2.179 559 I HA -0.297 3.875 4.170 0.003 0.000 0.242 559 I C 1.846 177.981 176.117 0.030 0.000 1.088 559 I CA 1.337 62.635 61.300 -0.004 0.000 1.357 559 I CB -0.588 37.359 38.000 -0.088 0.000 1.051 559 I HN 0.314 nan 8.210 nan 0.000 0.409 560 N N 0.544 119.177 118.700 -0.112 0.000 2.609 560 N HA -0.094 4.648 4.740 0.003 0.000 0.190 560 N C 1.263 176.765 175.510 -0.013 0.000 1.157 560 N CA 1.577 54.576 53.050 -0.085 0.000 0.918 560 N CB -0.216 38.111 38.487 -0.265 0.000 0.978 560 N HN 0.523 nan 8.380 nan 0.000 0.448 561 T N -3.935 110.622 114.554 0.004 0.000 3.111 561 T HA 0.468 4.820 4.350 0.003 0.000 0.284 561 T C 0.538 175.258 174.700 0.032 0.000 0.983 561 T CA -0.502 61.608 62.100 0.016 0.000 0.900 561 T CB 0.261 69.130 68.868 0.002 0.000 1.132 561 T HN 0.110 nan 8.240 nan 0.000 0.531 562 A N 2.019 124.874 122.820 0.057 0.000 2.520 562 A HA 0.598 4.920 4.320 0.003 0.000 0.235 562 A C 0.617 178.234 177.584 0.054 0.000 1.065 562 A CA 0.087 52.165 52.037 0.068 0.000 0.764 562 A CB -0.121 18.951 19.000 0.120 0.000 1.002 562 A HN 1.222 nan 8.150 nan 0.000 0.502 563 S N 0.820 116.538 115.700 0.029 0.000 2.552 563 S HA 0.401 4.873 4.470 0.003 0.000 0.272 563 S C 0.221 174.799 174.600 -0.037 0.000 1.150 563 S CA -0.159 58.041 58.200 0.000 0.000 0.849 563 S CB 0.626 63.815 63.200 -0.019 0.000 1.113 563 S HN 1.135 nan 8.310 nan 0.000 0.458 564 I N 1.261 121.778 120.570 -0.088 0.000 2.454 564 I HA -0.059 4.113 4.170 0.003 0.000 0.254 564 I C 2.331 178.330 176.117 -0.197 0.000 1.156 564 I CA 1.790 62.993 61.300 -0.162 0.000 1.433 564 I CB -0.402 37.313 38.000 -0.475 0.000 1.082 564 I HN 0.901 nan 8.210 nan 0.000 0.432 565 Q N -0.075 119.611 119.800 -0.191 0.000 2.083 565 Q HA -0.114 4.228 4.340 0.003 0.000 0.198 565 Q C 2.324 178.261 176.000 -0.104 0.000 0.969 565 Q CA 2.183 57.888 55.803 -0.164 0.000 0.838 565 Q CB -0.449 28.221 28.738 -0.113 0.000 0.900 565 Q HN 0.456 nan 8.270 nan 0.000 0.436 566 S N -0.287 115.366 115.700 -0.078 0.000 2.406 566 S HA -0.027 4.445 4.470 0.003 0.000 0.228 566 S C 1.607 176.153 174.600 -0.090 0.000 1.020 566 S CA 0.686 58.848 58.200 -0.064 0.000 0.965 566 S CB -0.280 62.897 63.200 -0.039 0.000 0.798 566 S HN 0.395 nan 8.310 nan 0.000 0.488 567 L N 1.077 122.229 121.223 -0.119 0.000 2.012 567 L HA -0.070 4.272 4.340 0.003 0.000 0.210 567 L C 1.821 178.588 176.870 -0.172 0.000 1.073 567 L CA 1.614 56.334 54.840 -0.200 0.000 0.748 567 L CB -0.362 41.529 42.059 -0.281 0.000 0.891 567 L HN 0.236 nan 8.230 nan 0.000 0.431 568 I N -1.952 118.543 120.570 -0.125 0.000 2.406 568 I HA -0.229 3.943 4.170 0.003 0.000 0.249 568 I C 2.544 178.607 176.117 -0.090 0.000 1.122 568 I CA 0.878 62.115 61.300 -0.105 0.000 1.431 568 I CB -0.548 37.395 38.000 -0.095 0.000 1.087 568 I HN 0.372 nan 8.210 nan 0.000 0.424 569 c N 0.935 119.487 118.600 -0.080 0.000 2.413 569 c HA -0.200 4.372 4.570 0.003 0.000 0.278 569 c C 2.755 176.811 174.090 -0.057 0.000 1.224 569 c CA 1.334 57.630 56.329 -0.056 0.000 1.732 569 c CB -1.186 41.298 42.510 -0.043 0.000 2.050 569 c HN 0.537 nan 8.230 nan 0.000 0.463 570 N N 0.940 119.600 118.700 -0.066 0.000 2.309 570 N HA -0.051 4.691 4.740 0.003 0.000 0.182 570 N C 1.068 176.531 175.510 -0.079 0.000 1.018 570 N CA 1.057 54.069 53.050 -0.064 0.000 0.876 570 N CB -0.489 37.961 38.487 -0.063 0.000 0.972 570 N HN 0.672 nan 8.380 nan 0.000 0.434 571 N N -0.093 118.548 118.700 -0.099 0.000 2.227 571 N HA 0.079 4.821 4.740 0.003 0.000 0.196 571 N C -0.257 175.184 175.510 -0.116 0.000 1.142 571 N CA 0.100 53.081 53.050 -0.115 0.000 0.887 571 N CB 1.608 40.012 38.487 -0.139 0.000 1.022 571 N HN -0.067 nan 8.380 nan 0.000 0.500 572 V N 1.736 121.592 119.914 -0.096 0.000 2.483 572 V HA 0.168 4.290 4.120 0.003 0.000 0.295 572 V C 1.486 177.543 176.094 -0.062 0.000 1.035 572 V CA -0.688 61.561 62.300 -0.086 0.000 0.896 572 V CB 2.202 33.980 31.823 -0.076 0.000 0.986 572 V HN -0.105 nan 8.190 nan 0.000 0.447 573 K N 3.674 124.040 120.400 -0.057 0.000 2.206 573 K HA -0.218 4.104 4.320 0.003 0.000 0.211 573 K C 1.045 177.632 176.600 -0.021 0.000 1.047 573 K CA 2.171 58.436 56.287 -0.036 0.000 0.933 573 K CB -0.472 32.015 32.500 -0.022 0.000 0.721 573 K HN 1.033 nan 8.250 nan 0.000 0.471 574 G N -2.443 106.348 108.800 -0.014 0.000 4.876 574 G HA2 0.165 4.127 3.960 0.003 0.000 0.219 574 G HA3 0.165 4.127 3.960 0.003 0.000 0.219 574 G C -0.451 174.450 174.900 0.001 0.000 0.877 574 G CA -0.193 44.904 45.100 -0.004 0.000 0.718 574 G HN 0.238 nan 8.290 nan 0.000 0.518 575 c N 0.297 118.891 118.600 -0.009 0.000 3.744 575 c HA -0.114 4.458 4.570 0.003 0.000 0.288 575 c C -1.194 172.906 174.090 0.018 0.000 1.423 575 c CA -0.644 55.682 56.329 -0.004 0.000 2.060 575 c CB -1.766 40.746 42.510 0.002 0.000 1.337 575 c HN 0.530 nan 8.230 nan 0.000 0.640 576 P HA 0.132 nan 4.420 nan 0.000 0.264 576 P C 0.107 177.430 177.300 0.039 0.000 1.183 576 P CA 0.156 63.278 63.100 0.036 0.000 0.763 576 P CB 0.318 32.020 31.700 0.004 0.000 0.807 577 F N 4.141 124.081 119.950 -0.017 0.000 2.506 577 F HA 0.361 4.890 4.527 0.003 0.000 0.351 577 F C 0.062 175.845 175.800 -0.028 0.000 1.136 577 F CA 0.707 58.692 58.000 -0.026 0.000 1.298 577 F CB 0.385 39.373 39.000 -0.020 0.000 1.145 577 F HN 0.334 nan 8.300 nan 0.000 0.593 578 T N 2.328 116.035 114.554 -1.411 0.000 2.754 578 T HA 0.692 5.044 4.350 0.003 0.000 0.296 578 T C -0.929 173.049 174.700 -1.203 0.000 1.205 578 T CA -0.806 60.645 62.100 -1.081 0.000 1.009 578 T CB 1.372 69.937 68.868 -0.505 0.000 1.368 578 T HN 0.843 nan 8.240 nan 0.000 0.509 579 S N -1.432 113.844 115.700 -0.707 0.000 2.701 579 S HA 0.392 4.864 4.470 0.003 0.000 0.267 579 S C -1.628 172.720 174.600 -0.420 0.000 1.034 579 S CA -0.666 57.190 58.200 -0.573 0.000 0.867 579 S CB 0.047 63.085 63.200 -0.271 0.000 1.123 579 S HN 0.529 nan 8.310 nan 0.000 0.470 580 F N 2.104 121.975 119.950 -0.132 0.000 2.664 580 F HA 0.469 4.999 4.527 0.003 0.000 0.301 580 F C 0.788 176.390 175.800 -0.331 0.000 1.126 580 F CA -0.357 57.522 58.000 -0.202 0.000 1.373 580 F CB -0.292 38.545 39.000 -0.271 0.000 1.042 580 F HN 0.418 nan 8.300 nan 0.000 0.535 581 N N -0.363 118.346 118.700 0.015 0.000 2.346 581 N HA 0.234 4.976 4.740 0.003 0.000 0.289 581 N C -1.088 174.483 175.510 0.103 0.000 1.027 581 N CA -0.377 52.736 53.050 0.104 0.000 0.864 581 N CB 1.972 40.575 38.487 0.194 0.000 1.370 581 N HN -0.145 nan 8.380 nan 0.000 0.481 582 V N 5.848 125.811 119.914 0.082 0.000 2.302 582 V HA 0.080 4.202 4.120 0.003 0.000 0.244 582 V C 0.309 176.453 176.094 0.084 0.000 1.160 582 V CA -0.265 62.084 62.300 0.082 0.000 1.127 582 V CB -1.096 30.757 31.823 0.051 0.000 1.253 582 V HN 0.839 nan 8.190 nan 0.000 0.496 583 Q N 0.000 119.876 119.800 0.127 0.000 2.315 583 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 583 Q CA 0.000 55.868 55.803 0.108 0.000 1.022 583 Q CB 0.000 28.796 28.738 0.097 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481