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 2der_1_B DATA FIRST_RESID 4 DATA SEQUENCE TAKKVIVGMS GGVDSSVSAW LLQQQGYQVE GLFMKNWEED DGEEYCTAAA DATA SEQUENCE DLADAQAVCD KLGIELHTVN FAAEYWDNVF ELFLAEYKAG RTPNPDILcN DATA SEQUENCE KEIKFKAFLE FAAEDLGADY IATGHYVRRA DVDGKSRLLR GLDSNKDQSY DATA SEQUENCE FLYTLSHEQI AQSLFPVGEL EKPQVRKIAE DLGLVTXXXX XXTGIcFIGE DATA SEQUENCE RKFREFLGRY LPAQPGKIIT VDGDEIGEHQ GLMYHTLGQR KGLGIGGTKE DATA SEQUENCE GTEEPWYVVD KDVENNILVV AQGHEHPRLM SVGLIAQQLH WVDREPFTGT DATA SEQUENCE MRCTVKTRYR QTDIPCTVKA LDDDRIEVIF DEPVAAVTPG QSAVFYNGEV DATA SEQUENCE CLGGGIIEQR LPLPV 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.688 174.700 -0.020 0.000 1.109 4 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 4 T CB 0.000 68.859 68.868 -0.014 0.000 0.612 5 A N 1.802 124.613 122.820 -0.016 0.000 2.371 5 A HA 0.746 5.067 4.320 0.001 0.000 0.311 5 A C -0.604 176.987 177.584 0.011 0.000 1.068 5 A CA -0.624 51.393 52.037 -0.033 0.000 0.744 5 A CB 1.099 20.055 19.000 -0.073 0.000 1.239 5 A HN 0.404 nan 8.150 nan 0.000 0.435 6 K N 1.459 121.874 120.400 0.025 0.000 2.510 6 K HA -0.120 4.201 4.320 0.001 0.000 0.272 6 K C 0.184 176.931 176.600 0.245 0.000 1.025 6 K CA 0.972 57.336 56.287 0.129 0.000 1.134 6 K CB 0.240 32.889 32.500 0.248 0.000 0.827 6 K HN 0.637 nan 8.250 nan 0.000 0.485 7 K N 3.225 123.721 120.400 0.160 0.000 2.248 7 K HA 0.207 4.528 4.320 0.001 0.000 0.281 7 K C -1.014 175.688 176.600 0.170 0.000 1.054 7 K CA -0.569 55.811 56.287 0.156 0.000 0.903 7 K CB 1.172 33.712 32.500 0.066 0.000 1.077 7 K HN 0.321 nan 8.250 nan 0.000 0.474 8 V N 7.012 127.033 119.914 0.179 0.000 2.448 8 V HA 0.440 4.561 4.120 0.001 0.000 0.295 8 V C -0.754 175.376 176.094 0.059 0.000 1.025 8 V CA -0.806 61.549 62.300 0.092 0.000 0.859 8 V CB 1.184 32.933 31.823 -0.122 0.000 0.988 8 V HN 0.784 nan 8.190 nan 0.000 0.431 9 I N 6.819 127.423 120.570 0.057 0.000 2.321 9 I HA 0.405 4.576 4.170 0.001 0.000 0.291 9 I C -0.390 175.849 176.117 0.204 0.000 0.998 9 I CA -0.542 60.831 61.300 0.122 0.000 1.227 9 I CB 1.811 39.863 38.000 0.087 0.000 1.368 9 I HN 0.428 nan 8.210 nan 0.000 0.466 10 V N 6.977 127.016 119.914 0.209 0.000 2.357 10 V HA 0.591 4.712 4.120 0.001 0.000 0.284 10 V C 0.490 176.691 176.094 0.179 0.000 1.018 10 V CA -0.292 62.125 62.300 0.196 0.000 0.841 10 V CB 1.357 33.243 31.823 0.105 0.000 0.991 10 V HN 0.834 nan 8.190 nan 0.000 0.437 11 G N 6.936 115.780 108.800 0.073 0.000 2.406 11 G HA2 0.490 4.451 3.960 0.001 0.000 0.251 11 G HA3 0.490 4.451 3.960 0.001 0.000 0.251 11 G C -0.542 174.275 174.900 -0.138 0.000 1.271 11 G CA -0.392 44.578 45.100 -0.217 0.000 0.859 11 G HN 0.710 nan 8.290 nan 0.000 0.540 12 M N 1.712 121.255 119.600 -0.095 0.000 2.465 12 M HA 0.260 4.741 4.480 0.001 0.000 0.316 12 M C 0.919 177.108 176.300 -0.184 0.000 1.121 12 M CA -0.750 54.518 55.300 -0.052 0.000 0.934 12 M CB 2.687 35.335 32.600 0.080 0.000 1.692 12 M HN 0.545 nan 8.290 nan 0.000 0.444 13 S N -0.299 115.301 115.700 -0.166 0.000 2.524 13 S HA 0.334 4.805 4.470 0.001 0.000 0.215 13 S C 1.197 175.829 174.600 0.053 0.000 0.986 13 S CA 0.264 58.316 58.200 -0.246 0.000 0.911 13 S CB 0.153 63.240 63.200 -0.188 0.000 0.805 13 S HN 1.242 nan 8.310 nan 0.000 0.501 14 G N 0.482 109.358 108.800 0.126 0.000 2.141 14 G HA2 -0.125 3.836 3.960 0.001 0.000 0.242 14 G HA3 -0.125 3.836 3.960 0.001 0.000 0.242 14 G C 0.613 175.553 174.900 0.068 0.000 0.982 14 G CA 0.045 45.242 45.100 0.162 0.000 0.662 14 G HN 0.972 nan 8.290 nan 0.000 0.527 15 G N -1.169 107.645 108.800 0.023 0.000 2.679 15 G HA2 0.490 4.450 3.960 0.001 0.000 0.202 15 G HA3 0.490 4.450 3.960 0.001 0.000 0.202 15 G C 1.135 176.031 174.900 -0.006 0.000 1.566 15 G CA 1.224 46.318 45.100 -0.010 0.000 1.074 15 G HN 0.819 nan 8.290 nan 0.000 0.564 16 V N -0.293 119.609 119.914 -0.020 0.000 3.058 16 V HA 0.074 4.194 4.120 0.001 0.000 0.233 16 V C 2.187 178.282 176.094 0.002 0.000 1.255 16 V CA 0.982 63.273 62.300 -0.015 0.000 1.267 16 V CB 0.139 31.941 31.823 -0.034 0.000 1.049 16 V HN 0.564 nan 8.190 nan 0.000 0.486 17 D N 1.073 121.470 120.400 -0.005 0.000 2.263 17 D HA -0.149 4.492 4.640 0.001 0.000 0.208 17 D C 2.138 178.472 176.300 0.057 0.000 0.971 17 D CA 1.733 55.750 54.000 0.028 0.000 0.867 17 D CB -0.053 40.752 40.800 0.009 0.000 0.929 17 D HN 0.598 nan 8.370 nan 0.000 0.492 18 S N 0.132 115.853 115.700 0.035 0.000 2.425 18 S HA -0.016 4.455 4.470 0.001 0.000 0.225 18 S C 2.150 176.796 174.600 0.077 0.000 1.024 18 S CA 0.394 58.625 58.200 0.052 0.000 0.951 18 S CB 0.093 63.301 63.200 0.013 0.000 0.796 18 S HN 0.033 nan 8.310 nan 0.000 0.498 19 S N 2.174 117.914 115.700 0.067 0.000 2.349 19 S HA -0.034 4.437 4.470 0.001 0.000 0.216 19 S C 1.991 176.667 174.600 0.127 0.000 1.033 19 S CA 1.372 59.622 58.200 0.084 0.000 1.021 19 S CB -0.884 62.344 63.200 0.046 0.000 0.968 19 S HN 0.382 nan 8.310 nan 0.000 0.426 20 V N 1.943 121.918 119.914 0.101 0.000 2.453 20 V HA -0.199 3.921 4.120 0.001 0.000 0.252 20 V C 2.614 178.851 176.094 0.239 0.000 1.068 20 V CA 1.946 64.338 62.300 0.154 0.000 1.070 20 V CB -0.953 30.923 31.823 0.089 0.000 0.664 20 V HN 0.573 nan 8.190 nan 0.000 0.461 21 S N -0.281 115.522 115.700 0.172 0.000 2.356 21 S HA -0.186 4.285 4.470 0.001 0.000 0.223 21 S C 2.158 176.845 174.600 0.146 0.000 1.032 21 S CA 1.653 59.947 58.200 0.157 0.000 1.005 21 S CB -0.290 62.989 63.200 0.131 0.000 0.867 21 S HN 0.635 nan 8.310 nan 0.000 0.449 22 A N 0.406 123.318 122.820 0.153 0.000 1.858 22 A HA -0.119 4.202 4.320 0.001 0.000 0.216 22 A C 1.939 179.628 177.584 0.174 0.000 1.190 22 A CA 1.659 53.779 52.037 0.139 0.000 0.617 22 A CB -1.542 17.544 19.000 0.144 0.000 0.827 22 A HN 0.859 nan 8.150 nan 0.000 0.443 23 W N 0.754 122.081 121.300 0.045 0.000 2.338 23 W HA -0.192 4.469 4.660 0.001 0.000 0.304 23 W C 1.790 178.342 176.519 0.054 0.000 1.212 23 W CA 1.997 59.371 57.345 0.048 0.000 1.264 23 W CB -0.301 29.184 29.460 0.041 0.000 1.142 23 W HN 0.275 nan 8.180 nan 0.000 0.512 24 L N 0.085 121.451 121.223 0.237 0.000 1.990 24 L HA -0.309 4.032 4.340 0.001 0.000 0.213 24 L C 2.600 179.396 176.870 -0.123 0.000 1.072 24 L CA 1.743 56.592 54.840 0.015 0.000 0.755 24 L CB -1.255 40.906 42.059 0.170 0.000 0.889 24 L HN 0.100 nan 8.230 nan 0.000 0.432 25 L N -0.459 120.742 121.223 -0.037 0.000 1.989 25 L HA -0.277 4.063 4.340 0.001 0.000 0.211 25 L C 2.899 179.806 176.870 0.061 0.000 1.071 25 L CA 1.875 56.705 54.840 -0.016 0.000 0.749 25 L CB -0.711 41.264 42.059 -0.140 0.000 0.890 25 L HN 0.430 nan 8.230 nan 0.000 0.431 26 Q N -0.648 119.139 119.800 -0.021 0.000 2.135 26 Q HA -0.306 4.035 4.340 0.001 0.000 0.204 26 Q C 2.062 177.978 176.000 -0.140 0.000 0.981 26 Q CA 1.601 57.389 55.803 -0.025 0.000 0.856 26 Q CB -0.452 28.261 28.738 -0.041 0.000 0.902 26 Q HN 0.312 nan 8.270 nan 0.000 0.425 27 Q N 0.816 120.403 119.800 -0.354 0.000 2.437 27 Q HA -0.128 4.213 4.340 0.001 0.000 0.210 27 Q C 1.499 177.362 176.000 -0.228 0.000 0.972 27 Q CA 1.498 57.031 55.803 -0.449 0.000 0.903 27 Q CB 0.102 28.267 28.738 -0.956 0.000 0.967 27 Q HN 0.652 nan 8.270 nan 0.000 0.486 28 Q N -1.352 118.385 119.800 -0.104 0.000 2.319 28 Q HA 0.181 4.522 4.340 0.001 0.000 0.202 28 Q C -0.108 175.858 176.000 -0.058 0.000 0.896 28 Q CA 0.506 56.297 55.803 -0.020 0.000 0.942 28 Q CB 0.492 29.301 28.738 0.118 0.000 1.083 28 Q HN 0.322 nan 8.270 nan 0.000 0.510 29 G N 0.633 109.400 108.800 -0.055 0.000 2.520 29 G HA2 -0.252 3.709 3.960 0.001 0.000 0.264 29 G HA3 -0.252 3.709 3.960 0.001 0.000 0.264 29 G C -1.090 173.693 174.900 -0.194 0.000 1.140 29 G CA -0.199 44.831 45.100 -0.118 0.000 1.012 29 G HN 0.263 nan 8.290 nan 0.000 0.511 30 Y N -0.958 119.322 120.300 -0.033 0.000 2.499 30 Y HA 0.562 5.113 4.550 0.001 0.000 0.347 30 Y C 0.703 176.608 175.900 0.008 0.000 0.987 30 Y CA -0.853 57.247 58.100 -0.001 0.000 1.044 30 Y CB 1.779 40.241 38.460 0.003 0.000 1.245 30 Y HN 0.265 nan 8.280 nan 0.000 0.461 31 Q N 2.174 122.098 119.800 0.208 0.000 2.423 31 Q HA 0.324 4.665 4.340 0.001 0.000 0.235 31 Q C -1.077 175.018 176.000 0.158 0.000 1.100 31 Q CA -0.406 55.477 55.803 0.133 0.000 0.908 31 Q CB 1.121 29.917 28.738 0.097 0.000 1.312 31 Q HN 0.368 nan 8.270 nan 0.000 0.497 32 V N 4.107 124.102 119.914 0.135 0.000 2.328 32 V HA 0.284 4.405 4.120 0.001 0.000 0.278 32 V C -0.647 175.515 176.094 0.113 0.000 1.021 32 V CA -0.261 62.107 62.300 0.113 0.000 0.838 32 V CB 1.297 33.173 31.823 0.087 0.000 0.999 32 V HN 0.670 nan 8.190 nan 0.000 0.447 33 E N 4.246 124.529 120.200 0.138 0.000 2.232 33 E HA 0.702 5.053 4.350 0.001 0.000 0.264 33 E C -0.027 176.692 176.600 0.199 0.000 0.973 33 E CA -0.700 55.804 56.400 0.173 0.000 0.849 33 E CB 2.082 31.948 29.700 0.277 0.000 1.198 33 E HN 0.815 nan 8.360 nan 0.000 0.407 34 G N 0.637 109.557 108.800 0.200 0.000 2.420 34 G HA2 0.551 4.512 3.960 0.001 0.000 0.331 34 G HA3 0.551 4.512 3.960 0.001 0.000 0.331 34 G C -1.567 173.510 174.900 0.295 0.000 1.168 34 G CA -0.400 44.827 45.100 0.211 0.000 0.936 34 G HN 0.220 nan 8.290 nan 0.000 0.479 35 L N 1.103 122.497 121.223 0.284 0.000 2.410 35 L HA 0.725 5.066 4.340 0.001 0.000 0.270 35 L C -1.697 175.295 176.870 0.203 0.000 0.983 35 L CA -1.054 53.982 54.840 0.326 0.000 0.822 35 L CB 1.838 44.166 42.059 0.447 0.000 1.285 35 L HN 0.432 nan 8.230 nan 0.000 0.409 36 F N 5.878 125.880 119.950 0.087 0.000 2.332 36 F HA 0.543 5.071 4.527 0.001 0.000 0.368 36 F C -0.161 175.636 175.800 -0.006 0.000 1.110 36 F CA -0.623 57.389 58.000 0.019 0.000 1.087 36 F CB 0.964 39.982 39.000 0.029 0.000 1.235 36 F HN 0.431 nan 8.300 nan 0.000 0.470 37 M N 6.713 126.147 119.600 -0.276 0.000 2.184 37 M HA 0.225 4.706 4.480 0.001 0.000 0.351 37 M C -0.274 175.949 176.300 -0.128 0.000 1.395 37 M CA 0.260 55.457 55.300 -0.172 0.000 1.117 37 M CB 0.541 32.989 32.600 -0.253 0.000 1.708 37 M HN 0.454 nan 8.290 nan 0.000 0.468 38 K N 2.497 122.930 120.400 0.054 0.000 2.098 38 K HA 0.377 4.698 4.320 0.001 0.000 0.258 38 K C -0.402 176.116 176.600 -0.138 0.000 0.973 38 K CA -0.556 55.790 56.287 0.097 0.000 0.898 38 K CB 1.621 34.231 32.500 0.182 0.000 1.057 38 K HN 0.658 nan 8.250 nan 0.000 0.447 39 N N -0.105 118.477 118.700 -0.195 0.000 2.818 39 N HA 0.255 4.996 4.740 0.001 0.000 0.312 39 N C -0.205 175.060 175.510 -0.409 0.000 1.368 39 N CA -0.827 51.874 53.050 -0.582 0.000 0.817 39 N CB 0.339 38.644 38.487 -0.304 0.000 1.116 39 N HN 0.273 nan 8.380 nan 0.000 0.519 40 W N 1.033 122.092 121.300 -0.400 0.000 1.557 40 W HA 0.089 4.750 4.660 0.001 0.000 0.365 40 W C 1.761 178.354 176.519 0.123 0.000 1.744 40 W CA 0.247 57.605 57.345 0.023 0.000 1.955 40 W CB -0.085 29.360 29.460 -0.025 0.000 1.506 40 W HN 0.541 nan 8.180 nan 0.000 0.816 41 E N -1.655 118.798 120.200 0.423 0.000 2.502 41 E HA 0.017 4.368 4.350 0.001 0.000 0.206 41 E C -0.413 176.282 176.600 0.159 0.000 0.821 41 E CA 0.358 56.898 56.400 0.233 0.000 1.354 41 E CB 0.503 30.291 29.700 0.146 0.000 1.336 41 E HN 0.205 nan 8.360 nan 0.000 0.675 42 E N 0.743 121.074 120.200 0.218 0.000 2.317 42 E HA 0.340 4.691 4.350 0.001 0.000 0.270 42 E C -0.870 175.830 176.600 0.167 0.000 0.885 42 E CA -0.456 56.019 56.400 0.125 0.000 0.760 42 E CB 2.293 32.032 29.700 0.066 0.000 1.227 42 E HN 0.068 nan 8.360 nan 0.000 0.434 43 D N -0.238 120.261 120.400 0.165 0.000 3.816 43 D HA 0.099 4.740 4.640 0.001 0.000 0.272 43 D C -0.318 176.020 176.300 0.063 0.000 1.509 43 D CA -0.142 53.924 54.000 0.109 0.000 1.003 43 D CB 0.525 41.437 40.800 0.185 0.000 1.333 43 D HN 0.384 nan 8.370 nan 0.000 0.648 44 D N -0.559 119.872 120.400 0.052 0.000 2.369 44 D HA 0.218 4.859 4.640 0.001 0.000 0.211 44 D C 0.620 176.946 176.300 0.042 0.000 1.077 44 D CA -0.245 53.774 54.000 0.031 0.000 0.842 44 D CB 0.423 41.229 40.800 0.010 0.000 0.947 44 D HN 0.239 nan 8.370 nan 0.000 0.509 45 G N 0.479 109.329 108.800 0.084 0.000 2.471 45 G HA2 0.308 4.269 3.960 0.001 0.000 0.332 45 G HA3 0.308 4.269 3.960 0.001 0.000 0.332 45 G C -0.099 174.796 174.900 -0.009 0.000 1.176 45 G CA -0.613 44.530 45.100 0.072 0.000 0.949 45 G HN -0.149 nan 8.290 nan 0.000 0.488 46 E N 0.298 120.480 120.200 -0.030 0.000 2.413 46 E HA 0.130 4.481 4.350 0.001 0.000 0.204 46 E C 0.397 176.896 176.600 -0.168 0.000 1.275 46 E CA 0.358 56.715 56.400 -0.072 0.000 1.090 46 E CB -0.482 29.192 29.700 -0.044 0.000 1.145 46 E HN 0.711 nan 8.360 nan 0.000 0.472 47 E N -1.990 118.023 120.200 -0.311 0.000 3.828 47 E HA -0.238 4.113 4.350 0.001 0.000 0.329 47 E C -0.774 175.130 176.600 -1.160 0.000 0.788 47 E CA 0.331 56.291 56.400 -0.734 0.000 1.266 47 E CB -2.328 27.120 29.700 -0.420 0.000 1.643 47 E HN 0.601 nan 8.360 nan 0.000 0.409 48 Y N -3.511 116.789 120.300 0.001 0.000 2.933 48 Y HA -0.345 4.206 4.550 0.001 0.000 0.217 48 Y C 1.148 177.063 175.900 0.025 0.000 1.119 48 Y CA 0.289 58.397 58.100 0.013 0.000 0.949 48 Y CB -2.573 35.891 38.460 0.006 0.000 1.159 48 Y HN 0.385 nan 8.280 nan 0.000 0.511 49 C N 1.006 120.276 119.300 -0.051 0.000 2.503 49 C HA -0.075 4.385 4.460 0.001 0.000 0.302 49 C C 1.870 176.895 174.990 0.058 0.000 1.475 49 C CA 1.103 60.110 59.018 -0.018 0.000 1.625 49 C CB -2.114 25.597 27.740 -0.050 0.000 1.564 49 C HN 0.836 nan 8.230 nan 0.000 0.603 50 T N -0.222 114.405 114.554 0.121 0.000 3.252 50 T HA 0.152 4.503 4.350 0.001 0.000 0.250 50 T C 1.588 176.370 174.700 0.136 0.000 1.123 50 T CA 0.815 62.980 62.100 0.109 0.000 1.006 50 T CB 0.009 68.946 68.868 0.115 0.000 0.992 50 T HN 0.701 nan 8.240 nan 0.000 0.547 51 A N 0.858 123.778 122.820 0.166 0.000 1.973 51 A HA 0.628 4.949 4.320 0.001 0.000 0.210 51 A C 2.455 180.113 177.584 0.122 0.000 1.200 51 A CA 0.687 52.846 52.037 0.203 0.000 0.707 51 A CB -0.614 18.551 19.000 0.275 0.000 0.862 51 A HN 0.452 nan 8.150 nan 0.000 0.461 52 A N 0.183 123.034 122.820 0.052 0.000 1.969 52 A HA 0.237 4.558 4.320 0.001 0.000 0.218 52 A C 2.347 179.909 177.584 -0.036 0.000 1.169 52 A CA 1.770 53.792 52.037 -0.025 0.000 0.635 52 A CB -0.739 18.245 19.000 -0.028 0.000 0.810 52 A HN 0.954 nan 8.150 nan 0.000 0.445 53 A N -0.134 122.690 122.820 0.006 0.000 1.969 53 A HA -0.127 4.194 4.320 0.001 0.000 0.218 53 A C 1.764 179.357 177.584 0.014 0.000 1.169 53 A CA 1.637 53.677 52.037 0.005 0.000 0.635 53 A CB -0.359 18.653 19.000 0.021 0.000 0.810 53 A HN 0.486 nan 8.150 nan 0.000 0.445 54 D N -0.287 120.148 120.400 0.058 0.000 2.085 54 D HA -0.109 4.531 4.640 0.001 0.000 0.199 54 D C 1.849 178.177 176.300 0.047 0.000 0.981 54 D CA 1.235 55.311 54.000 0.126 0.000 0.834 54 D CB -0.518 40.444 40.800 0.270 0.000 0.992 54 D HN 0.320 nan 8.370 nan 0.000 0.457 55 L N 1.119 122.208 121.223 -0.223 0.000 2.263 55 L HA -0.154 4.187 4.340 0.001 0.000 0.216 55 L C 1.955 178.614 176.870 -0.351 0.000 1.111 55 L CA 1.404 55.758 54.840 -0.810 0.000 0.773 55 L CB -0.621 40.870 42.059 -0.947 0.000 0.906 55 L HN -0.057 nan 8.230 nan 0.000 0.439 56 A N -1.124 121.594 122.820 -0.168 0.000 1.843 56 A HA -0.139 4.181 4.320 0.001 0.000 0.213 56 A C 2.034 179.589 177.584 -0.048 0.000 1.202 56 A CA 1.350 53.330 52.037 -0.095 0.000 0.607 56 A CB -0.753 18.211 19.000 -0.060 0.000 0.847 56 A HN 0.484 nan 8.150 nan 0.000 0.445 57 D N 0.359 120.751 120.400 -0.014 0.000 2.133 57 D HA -0.193 4.448 4.640 0.001 0.000 0.192 57 D C 2.245 178.566 176.300 0.034 0.000 1.001 57 D CA 1.716 55.726 54.000 0.016 0.000 0.844 57 D CB -0.321 40.501 40.800 0.037 0.000 0.944 57 D HN 0.415 nan 8.370 nan 0.000 0.447 58 A N 0.945 123.803 122.820 0.063 0.000 1.865 58 A HA -0.267 4.054 4.320 0.001 0.000 0.217 58 A C 2.197 179.811 177.584 0.051 0.000 1.191 58 A CA 2.115 54.219 52.037 0.111 0.000 0.623 58 A CB -0.805 18.345 19.000 0.250 0.000 0.826 58 A HN 0.138 nan 8.150 nan 0.000 0.444 59 Q N -0.203 119.590 119.800 -0.011 0.000 2.135 59 Q HA -0.079 4.261 4.340 0.001 0.000 0.204 59 Q C 2.001 178.000 176.000 -0.001 0.000 0.981 59 Q CA 2.072 57.864 55.803 -0.019 0.000 0.856 59 Q CB -0.648 28.055 28.738 -0.058 0.000 0.902 59 Q HN 0.599 nan 8.270 nan 0.000 0.425 60 A N -0.608 122.212 122.820 -0.000 0.000 1.834 60 A HA -0.178 4.143 4.320 0.001 0.000 0.216 60 A C 2.232 179.827 177.584 0.020 0.000 1.203 60 A CA 1.920 53.961 52.037 0.005 0.000 0.621 60 A CB -1.263 17.738 19.000 0.002 0.000 0.841 60 A HN 0.242 nan 8.150 nan 0.000 0.446 61 V N -0.423 119.509 119.914 0.029 0.000 2.250 61 V HA -0.426 3.695 4.120 0.001 0.000 0.253 61 V C 2.659 178.787 176.094 0.057 0.000 1.065 61 V CA 2.378 64.703 62.300 0.042 0.000 1.039 61 V CB -1.359 30.495 31.823 0.052 0.000 0.647 61 V HN 0.716 nan 8.190 nan 0.000 0.446 62 C N -0.187 119.149 119.300 0.059 0.000 2.409 62 C HA -0.127 4.334 4.460 0.001 0.000 0.288 62 C C 2.321 177.338 174.990 0.046 0.000 1.395 62 C CA 0.922 59.976 59.018 0.061 0.000 1.792 62 C CB -1.333 26.441 27.740 0.055 0.000 1.847 62 C HN 0.645 nan 8.230 nan 0.000 0.534 63 D N 0.566 120.986 120.400 0.034 0.000 2.202 63 D HA -0.053 4.588 4.640 0.001 0.000 0.214 63 D C 2.144 178.466 176.300 0.037 0.000 0.967 63 D CA 0.887 54.903 54.000 0.026 0.000 0.871 63 D CB -0.453 40.355 40.800 0.014 0.000 1.020 63 D HN 0.272 nan 8.370 nan 0.000 0.474 64 K N 0.413 120.836 120.400 0.038 0.000 2.160 64 K HA -0.100 4.221 4.320 0.001 0.000 0.206 64 K C 1.543 178.187 176.600 0.073 0.000 1.047 64 K CA 0.928 57.241 56.287 0.043 0.000 0.930 64 K CB -0.243 32.275 32.500 0.031 0.000 0.720 64 K HN 0.017 nan 8.250 nan 0.000 0.450 65 L N -0.480 120.799 121.223 0.093 0.000 2.509 65 L HA 0.280 4.621 4.340 0.001 0.000 0.222 65 L C 0.732 177.663 176.870 0.101 0.000 1.123 65 L CA 0.925 55.846 54.840 0.136 0.000 0.856 65 L CB -0.252 41.909 42.059 0.169 0.000 0.985 65 L HN 0.392 nan 8.230 nan 0.000 0.456 66 G N 0.974 109.816 108.800 0.071 0.000 2.462 66 G HA2 -0.235 3.726 3.960 0.001 0.000 0.283 66 G HA3 -0.235 3.726 3.960 0.001 0.000 0.283 66 G C -0.253 174.678 174.900 0.052 0.000 1.043 66 G CA 0.083 45.214 45.100 0.053 0.000 1.300 66 G HN 0.203 nan 8.290 nan 0.000 0.518 67 I N -0.391 120.206 120.570 0.046 0.000 2.752 67 I HA 0.322 4.492 4.170 0.001 0.000 0.295 67 I C 0.063 176.189 176.117 0.015 0.000 1.219 67 I CA -0.977 60.350 61.300 0.045 0.000 1.030 67 I CB 2.201 40.242 38.000 0.070 0.000 1.259 67 I HN 0.267 nan 8.210 nan 0.000 0.423 68 E N 4.448 124.641 120.200 -0.012 0.000 2.313 68 E HA 0.274 4.624 4.350 0.001 0.000 0.276 68 E C -1.492 175.028 176.600 -0.134 0.000 1.031 68 E CA -0.618 55.722 56.400 -0.099 0.000 0.857 68 E CB 1.613 31.212 29.700 -0.167 0.000 1.040 68 E HN 0.322 nan 8.360 nan 0.000 0.408 69 L N 4.889 126.033 121.223 -0.132 0.000 2.295 69 L HA 0.313 4.654 4.340 0.001 0.000 0.285 69 L C -0.865 175.933 176.870 -0.121 0.000 1.035 69 L CA -0.146 54.664 54.840 -0.050 0.000 0.806 69 L CB 1.079 43.148 42.059 0.018 0.000 1.214 69 L HN 0.598 nan 8.230 nan 0.000 0.426 70 H N 1.075 120.236 119.070 0.152 0.000 2.585 70 H HA 0.851 5.408 4.556 0.002 0.000 0.338 70 H C -0.439 175.004 175.328 0.192 0.000 1.295 70 H CA 0.004 56.156 56.048 0.173 0.000 1.356 70 H CB 1.623 31.518 29.762 0.221 0.000 1.736 70 H HN 0.709 nan 8.280 nan 0.000 0.629 71 T N -1.270 113.494 114.554 0.351 0.000 2.923 71 T HA 0.612 4.963 4.350 0.001 0.000 0.311 71 T C -1.356 173.435 174.700 0.151 0.000 1.183 71 T CA -0.895 61.350 62.100 0.242 0.000 1.020 71 T CB 0.873 69.837 68.868 0.161 0.000 1.165 71 T HN 0.612 nan 8.240 nan 0.000 0.482 72 V N -0.678 119.287 119.914 0.085 0.000 2.950 72 V HA 0.601 4.722 4.120 0.001 0.000 0.295 72 V C -1.042 175.068 176.094 0.025 0.000 1.297 72 V CA -1.141 61.116 62.300 -0.071 0.000 0.962 72 V CB 1.615 33.192 31.823 -0.410 0.000 1.081 72 V HN 1.147 nan 8.190 nan 0.000 0.432 73 N N 4.317 123.054 118.700 0.061 0.000 2.546 73 N HA 0.520 5.261 4.740 0.001 0.000 0.238 73 N C 0.164 175.882 175.510 0.345 0.000 0.984 73 N CA -0.909 52.276 53.050 0.225 0.000 0.935 73 N CB 0.716 39.325 38.487 0.203 0.000 1.122 73 N HN 0.866 nan 8.380 nan 0.000 0.510 74 F N 1.627 121.532 119.950 -0.075 0.000 2.219 74 F HA -0.241 4.288 4.527 0.002 0.000 0.379 74 F C 0.839 176.594 175.800 -0.074 0.000 0.835 74 F CA -0.698 57.263 58.000 -0.065 0.000 1.076 74 F CB 0.120 39.124 39.000 0.007 0.000 0.843 74 F HN 0.374 nan 8.300 nan 0.000 0.570 75 A N 4.308 127.084 122.820 -0.073 0.000 2.358 75 A HA 0.374 4.694 4.320 0.001 0.000 0.232 75 A C 1.657 179.060 177.584 -0.303 0.000 1.498 75 A CA 0.573 52.510 52.037 -0.167 0.000 1.400 75 A CB -1.553 17.401 19.000 -0.076 0.000 0.852 75 A HN 2.361 nan 8.150 nan 0.000 0.605 76 A N -0.694 121.707 122.820 -0.698 0.000 4.115 76 A HA -0.337 3.984 4.320 0.001 0.000 0.268 76 A C 1.347 178.726 177.584 -0.342 0.000 0.917 76 A CA 1.827 53.387 52.037 -0.795 0.000 1.090 76 A CB -2.061 16.728 19.000 -0.352 0.000 1.067 76 A HN 0.716 nan 8.150 nan 0.000 0.828 77 E N -1.933 118.160 120.200 -0.179 0.000 2.352 77 E HA -0.285 4.066 4.350 0.001 0.000 0.203 77 E C 1.369 178.012 176.600 0.072 0.000 1.024 77 E CA 1.577 57.940 56.400 -0.062 0.000 0.842 77 E CB -0.329 29.365 29.700 -0.011 0.000 0.753 77 E HN 0.923 nan 8.360 nan 0.000 0.508 78 Y N 0.657 121.091 120.300 0.223 0.000 2.079 78 Y HA -0.312 4.238 4.550 0.001 0.000 0.267 78 Y C 2.430 178.587 175.900 0.428 0.000 1.104 78 Y CA 2.126 60.472 58.100 0.411 0.000 1.086 78 Y CB -0.536 38.339 38.460 0.693 0.000 0.989 78 Y HN 0.209 nan 8.280 nan 0.000 0.477 79 W N 2.044 123.719 121.300 0.626 0.000 2.301 79 W HA -0.311 4.350 4.660 0.001 0.000 0.325 79 W C 1.742 178.434 176.519 0.289 0.000 1.250 79 W CA 2.056 59.690 57.345 0.482 0.000 1.261 79 W CB -1.194 28.360 29.460 0.157 0.000 1.157 79 W HN 0.345 nan 8.180 nan 0.000 0.473 80 D N -0.191 119.882 120.400 -0.546 0.000 3.866 80 D HA -0.383 4.258 4.640 0.001 0.000 0.210 80 D C 1.672 177.744 176.300 -0.380 0.000 1.279 80 D CA 3.229 56.750 54.000 -0.799 0.000 0.868 80 D CB -1.011 39.510 40.800 -0.465 0.000 0.938 80 D HN 0.763 nan 8.370 nan 0.000 0.571 81 N N -2.467 116.164 118.700 -0.115 0.000 2.166 81 N HA 0.067 4.808 4.740 0.001 0.000 0.222 81 N C 1.238 176.800 175.510 0.087 0.000 1.282 81 N CA 0.067 53.101 53.050 -0.027 0.000 0.890 81 N CB 0.662 39.115 38.487 -0.055 0.000 1.114 81 N HN 0.056 nan 8.380 nan 0.000 0.494 82 V N 1.319 121.338 119.914 0.174 0.000 2.255 82 V HA -0.146 3.974 4.120 0.001 0.000 0.243 82 V C 2.124 178.522 176.094 0.506 0.000 1.038 82 V CA 1.492 63.958 62.300 0.276 0.000 1.008 82 V CB -0.834 31.099 31.823 0.183 0.000 0.645 82 V HN 0.179 nan 8.190 nan 0.000 0.449 83 F N 1.472 121.706 119.950 0.472 0.000 2.043 83 F HA -0.288 4.240 4.527 0.001 0.000 0.297 83 F C 2.544 178.448 175.800 0.173 0.000 1.118 83 F CA 2.400 60.475 58.000 0.125 0.000 1.202 83 F CB -0.714 38.198 39.000 -0.147 0.000 0.965 83 F HN 0.298 nan 8.300 nan 0.000 0.482 84 E N -0.198 120.003 120.200 0.003 0.000 2.113 84 E HA -0.336 4.015 4.350 0.001 0.000 0.210 84 E C 2.141 178.681 176.600 -0.100 0.000 1.040 84 E CA 2.131 58.458 56.400 -0.123 0.000 0.847 84 E CB -0.617 29.093 29.700 0.016 0.000 0.755 84 E HN 0.428 nan 8.360 nan 0.000 0.459 85 L N 0.144 121.382 121.223 0.025 0.000 2.291 85 L HA 0.003 4.344 4.340 0.001 0.000 0.214 85 L C 1.927 178.833 176.870 0.061 0.000 1.120 85 L CA 1.337 56.198 54.840 0.036 0.000 0.799 85 L CB -0.514 41.580 42.059 0.058 0.000 0.925 85 L HN 0.278 nan 8.230 nan 0.000 0.446 86 F N -0.879 119.057 119.950 -0.023 0.000 2.186 86 F HA -0.146 4.382 4.527 0.001 0.000 0.299 86 F C 1.964 177.721 175.800 -0.073 0.000 1.090 86 F CA 1.523 59.546 58.000 0.038 0.000 1.307 86 F CB -0.154 39.090 39.000 0.407 0.000 1.019 86 F HN 0.195 nan 8.300 nan 0.000 0.489 87 L N 1.190 122.407 121.223 -0.009 0.000 2.007 87 L HA 0.125 4.466 4.340 0.001 0.000 0.205 87 L C 2.558 179.406 176.870 -0.036 0.000 1.073 87 L CA 2.153 56.960 54.840 -0.055 0.000 0.744 87 L CB -1.682 40.170 42.059 -0.344 0.000 0.898 87 L HN 0.113 nan 8.230 nan 0.000 0.435 88 A N -0.532 122.251 122.820 -0.062 0.000 1.985 88 A HA -0.274 4.047 4.320 0.001 0.000 0.223 88 A C 2.130 179.693 177.584 -0.035 0.000 1.189 88 A CA 2.164 54.186 52.037 -0.025 0.000 0.658 88 A CB -0.671 18.315 19.000 -0.024 0.000 0.820 88 A HN 0.655 nan 8.150 nan 0.000 0.464 89 E N -1.367 118.769 120.200 -0.107 0.000 2.051 89 E HA -0.128 4.223 4.350 0.001 0.000 0.189 89 E C 1.908 178.431 176.600 -0.129 0.000 0.979 89 E CA 1.151 57.456 56.400 -0.159 0.000 0.803 89 E CB -0.455 29.076 29.700 -0.283 0.000 0.761 89 E HN 0.873 nan 8.360 nan 0.000 0.451 90 Y N 1.241 121.464 120.300 -0.127 0.000 2.181 90 Y HA -0.168 4.383 4.550 0.001 0.000 0.288 90 Y C 2.657 178.557 175.900 -0.001 0.000 1.146 90 Y CA 1.011 59.066 58.100 -0.077 0.000 1.164 90 Y CB 0.097 38.501 38.460 -0.093 0.000 0.982 90 Y HN -0.030 nan 8.280 nan 0.000 0.515 91 K N 0.140 120.647 120.400 0.178 0.000 2.147 91 K HA -0.137 4.184 4.320 0.001 0.000 0.205 91 K C 1.715 178.370 176.600 0.090 0.000 1.049 91 K CA 1.018 57.383 56.287 0.131 0.000 0.936 91 K CB -0.124 32.444 32.500 0.113 0.000 0.722 91 K HN 0.237 nan 8.250 nan 0.000 0.446 92 A N -0.013 122.846 122.820 0.065 0.000 2.307 92 A HA 0.248 4.569 4.320 0.001 0.000 0.218 92 A C 0.833 178.449 177.584 0.052 0.000 1.228 92 A CA 0.497 52.562 52.037 0.046 0.000 0.857 92 A CB -0.176 18.838 19.000 0.024 0.000 0.897 92 A HN 0.398 nan 8.150 nan 0.000 0.495 93 G N 0.135 108.985 108.800 0.083 0.000 2.298 93 G HA2 -0.232 3.729 3.960 0.001 0.000 0.287 93 G HA3 -0.232 3.729 3.960 0.001 0.000 0.287 93 G C 0.016 174.960 174.900 0.074 0.000 1.075 93 G CA 0.324 45.480 45.100 0.093 0.000 0.960 93 G HN 0.629 nan 8.290 nan 0.000 0.502 94 R N -0.914 119.616 120.500 0.051 0.000 2.854 94 R HA 0.633 4.974 4.340 0.001 0.000 0.271 94 R C -0.608 175.666 176.300 -0.044 0.000 0.996 94 R CA -0.728 55.372 56.100 0.000 0.000 0.961 94 R CB 1.450 31.727 30.300 -0.039 0.000 1.182 94 R HN 0.125 nan 8.270 nan 0.000 0.479 95 T N 4.261 118.791 114.554 -0.040 0.000 3.016 95 T HA 0.235 4.586 4.350 0.001 0.000 0.335 95 T C -2.179 172.432 174.700 -0.148 0.000 1.176 95 T CA -1.369 60.697 62.100 -0.058 0.000 0.987 95 T CB 0.800 69.697 68.868 0.049 0.000 1.073 95 T HN 0.312 nan 8.240 nan 0.000 0.547 96 P HA 0.157 nan 4.420 nan 0.000 0.272 96 P C -0.300 176.942 177.300 -0.096 0.000 1.230 96 P CA -0.525 62.411 63.100 -0.274 0.000 0.788 96 P CB 0.810 32.195 31.700 -0.526 0.000 0.949 97 N N 2.080 120.775 118.700 -0.007 0.000 3.012 97 N HA 0.131 4.872 4.740 0.001 0.000 0.270 97 N C -1.359 174.218 175.510 0.111 0.000 1.469 97 N CA -2.239 50.846 53.050 0.058 0.000 0.928 97 N CB 0.231 38.736 38.487 0.029 0.000 1.219 97 N HN 0.231 nan 8.380 nan 0.000 0.492 98 P HA -0.163 nan 4.420 nan 0.000 0.219 98 P C 0.166 177.564 177.300 0.163 0.000 1.147 98 P CA 1.278 64.531 63.100 0.257 0.000 0.821 98 P CB 0.564 32.472 31.700 0.347 0.000 0.771 99 D N -0.962 119.542 120.400 0.175 0.000 2.289 99 D HA 0.056 4.697 4.640 0.001 0.000 0.207 99 D C 2.011 178.409 176.300 0.163 0.000 0.966 99 D CA 0.371 54.494 54.000 0.205 0.000 0.868 99 D CB -0.473 40.532 40.800 0.342 0.000 0.943 99 D HN 0.246 nan 8.370 nan 0.000 0.514 100 I N -0.104 120.511 120.570 0.074 0.000 2.546 100 I HA -0.148 4.023 4.170 0.001 0.000 0.255 100 I C 1.645 177.726 176.117 -0.061 0.000 1.163 100 I CA 0.549 61.839 61.300 -0.018 0.000 1.457 100 I CB 0.198 38.161 38.000 -0.061 0.000 1.092 100 I HN 0.008 nan 8.210 nan 0.000 0.434 101 L N -0.513 120.699 121.223 -0.018 0.000 2.416 101 L HA -0.052 4.289 4.340 0.001 0.000 0.216 101 L C 2.380 179.213 176.870 -0.062 0.000 1.098 101 L CA 0.830 55.642 54.840 -0.047 0.000 0.840 101 L CB -0.119 41.942 42.059 0.003 0.000 0.981 101 L HN 0.343 nan 8.230 nan 0.000 0.462 102 c N -0.476 118.104 118.600 -0.033 0.000 2.450 102 c HA -0.053 4.518 4.570 0.001 0.000 0.279 102 c C 2.581 176.686 174.090 0.026 0.000 1.335 102 c CA 0.641 56.928 56.329 -0.070 0.000 1.749 102 c CB -0.846 41.681 42.510 0.029 0.000 1.963 102 c HN 0.567 nan 8.230 nan 0.000 0.501 103 N N 0.949 119.705 118.700 0.094 0.000 2.124 103 N HA -0.081 4.660 4.740 0.001 0.000 0.188 103 N C 1.829 177.446 175.510 0.179 0.000 1.045 103 N CA 1.017 54.199 53.050 0.219 0.000 0.846 103 N CB -0.693 37.915 38.487 0.201 0.000 1.020 103 N HN 0.588 nan 8.380 nan 0.000 0.432 104 K N 0.962 121.362 120.400 -0.001 0.000 2.059 104 K HA -0.182 4.139 4.320 0.001 0.000 0.212 104 K C 1.403 178.003 176.600 -0.001 0.000 1.050 104 K CA 1.418 57.666 56.287 -0.066 0.000 0.927 104 K CB 0.188 32.565 32.500 -0.205 0.000 0.714 104 K HN 0.062 nan 8.250 nan 0.000 0.447 105 E N 0.028 120.214 120.200 -0.023 0.000 2.060 105 E HA -0.047 4.304 4.350 0.001 0.000 0.189 105 E C 2.025 178.628 176.600 0.005 0.000 0.974 105 E CA 0.783 57.167 56.400 -0.028 0.000 0.808 105 E CB -0.060 29.591 29.700 -0.081 0.000 0.768 105 E HN 0.230 nan 8.360 nan 0.000 0.453 106 I N 0.860 121.430 120.570 -0.000 0.000 3.284 106 I HA -0.067 4.104 4.170 0.001 0.000 0.231 106 I C 2.080 178.252 176.117 0.090 0.000 1.041 106 I CA 0.560 61.886 61.300 0.042 0.000 1.478 106 I CB -0.563 37.448 38.000 0.017 0.000 1.340 106 I HN -0.133 nan 8.210 nan 0.000 0.449 107 K N 0.127 120.558 120.400 0.051 0.000 2.127 107 K HA -0.220 4.101 4.320 0.001 0.000 0.212 107 K C 0.713 177.240 176.600 -0.121 0.000 1.050 107 K CA 2.029 58.276 56.287 -0.067 0.000 0.929 107 K CB -0.391 32.076 32.500 -0.055 0.000 0.715 107 K HN 0.164 nan 8.250 nan 0.000 0.457 108 F N -0.318 119.715 119.950 0.138 0.000 2.928 108 F HA 0.246 4.774 4.527 0.001 0.000 0.337 108 F C 1.024 176.861 175.800 0.062 0.000 1.259 108 F CA -0.294 57.779 58.000 0.122 0.000 1.267 108 F CB 0.700 39.736 39.000 0.060 0.000 0.986 108 F HN -0.063 nan 8.300 nan 0.000 0.507 109 K N -0.749 119.754 120.400 0.172 0.000 3.152 109 K HA 0.295 4.616 4.320 0.001 0.000 0.247 109 K C 1.934 178.588 176.600 0.090 0.000 2.313 109 K CA 0.800 57.146 56.287 0.098 0.000 1.484 109 K CB -0.692 31.849 32.500 0.068 0.000 2.590 109 K HN -0.072 nan 8.250 nan 0.000 0.508 110 A N 1.303 124.186 122.820 0.105 0.000 1.859 110 A HA -0.167 4.154 4.320 0.001 0.000 0.217 110 A C 2.003 179.704 177.584 0.195 0.000 1.198 110 A CA 2.052 54.161 52.037 0.120 0.000 0.629 110 A CB -1.018 18.049 19.000 0.112 0.000 0.830 110 A HN 0.480 nan 8.150 nan 0.000 0.446 111 F N 0.340 120.310 119.950 0.034 0.000 2.051 111 F HA -0.146 4.382 4.527 0.001 0.000 0.296 111 F C 1.914 177.760 175.800 0.077 0.000 1.122 111 F CA 1.715 59.744 58.000 0.048 0.000 1.201 111 F CB -0.828 38.130 39.000 -0.071 0.000 0.978 111 F HN 0.199 nan 8.300 nan 0.000 0.472 112 L N 1.014 122.146 121.223 -0.151 0.000 1.990 112 L HA -0.243 4.098 4.340 0.001 0.000 0.213 112 L C 2.207 178.974 176.870 -0.171 0.000 1.072 112 L CA 2.340 57.024 54.840 -0.259 0.000 0.755 112 L CB -1.353 40.666 42.059 -0.066 0.000 0.889 112 L HN 0.288 nan 8.230 nan 0.000 0.432 113 E N -1.460 118.712 120.200 -0.047 0.000 2.077 113 E HA -0.226 4.125 4.350 0.001 0.000 0.193 113 E C 1.884 178.470 176.600 -0.024 0.000 0.989 113 E CA 1.549 57.929 56.400 -0.033 0.000 0.800 113 E CB -0.353 29.354 29.700 0.011 0.000 0.746 113 E HN 0.530 nan 8.360 nan 0.000 0.452 114 F N 1.297 121.190 119.950 -0.095 0.000 1.997 114 F HA -0.233 4.295 4.527 0.001 0.000 0.296 114 F C 2.183 177.903 175.800 -0.133 0.000 1.160 114 F CA 1.754 59.709 58.000 -0.075 0.000 1.176 114 F CB -0.945 38.054 39.000 -0.003 0.000 0.964 114 F HN 0.017 nan 8.300 nan 0.000 0.484 115 A N 0.510 123.148 122.820 -0.303 0.000 1.971 115 A HA -0.257 4.064 4.320 0.001 0.000 0.222 115 A C 2.357 179.688 177.584 -0.421 0.000 1.182 115 A CA 2.785 54.550 52.037 -0.454 0.000 0.649 115 A CB -1.776 16.918 19.000 -0.510 0.000 0.818 115 A HN 0.692 nan 8.150 nan 0.000 0.458 116 A N -0.523 122.099 122.820 -0.330 0.000 1.823 116 A HA -0.108 4.213 4.320 0.001 0.000 0.214 116 A C 1.874 179.309 177.584 -0.249 0.000 1.225 116 A CA 1.433 53.318 52.037 -0.252 0.000 0.604 116 A CB -0.734 18.152 19.000 -0.191 0.000 0.878 116 A HN 0.577 nan 8.150 nan 0.000 0.450 117 E N -0.590 119.477 120.200 -0.222 0.000 2.209 117 E HA -0.183 4.168 4.350 0.001 0.000 0.196 117 E C 1.353 177.805 176.600 -0.246 0.000 0.993 117 E CA 1.370 57.657 56.400 -0.188 0.000 0.819 117 E CB -0.079 29.547 29.700 -0.123 0.000 0.745 117 E HN 0.752 nan 8.360 nan 0.000 0.477 118 D N -0.171 119.971 120.400 -0.430 0.000 2.799 118 D HA 0.068 4.709 4.640 0.001 0.000 0.267 118 D C 1.430 177.446 176.300 -0.474 0.000 1.468 118 D CA -0.075 53.625 54.000 -0.500 0.000 1.077 118 D CB 0.070 40.320 40.800 -0.917 0.000 1.065 118 D HN -0.091 nan 8.370 nan 0.000 0.359 119 L N 0.766 121.578 121.223 -0.685 0.000 2.661 119 L HA 0.047 4.388 4.340 0.001 0.000 0.236 119 L C 0.697 177.388 176.870 -0.299 0.000 1.176 119 L CA 0.500 55.044 54.840 -0.493 0.000 0.836 119 L CB -1.250 40.492 42.059 -0.527 0.000 0.960 119 L HN 0.400 nan 8.230 nan 0.000 0.455 120 G N 0.762 109.400 108.800 -0.270 0.000 2.269 120 G HA2 -0.048 3.913 3.960 0.001 0.000 0.237 120 G HA3 -0.048 3.913 3.960 0.001 0.000 0.237 120 G C -0.088 174.722 174.900 -0.151 0.000 0.761 120 G CA 0.226 45.218 45.100 -0.181 0.000 1.141 120 G HN 0.597 nan 8.290 nan 0.000 0.319 121 A N 1.664 124.384 122.820 -0.167 0.000 2.498 121 A HA 0.810 5.131 4.320 0.001 0.000 0.298 121 A C 0.513 178.001 177.584 -0.160 0.000 1.075 121 A CA 0.097 52.055 52.037 -0.131 0.000 0.714 121 A CB 1.251 20.170 19.000 -0.134 0.000 1.299 121 A HN 0.298 nan 8.150 nan 0.000 0.407 122 D N -0.618 119.689 120.400 -0.154 0.000 2.213 122 D HA 0.203 4.844 4.640 0.001 0.000 0.205 122 D C -0.464 175.506 176.300 -0.549 0.000 0.961 122 D CA 2.003 55.796 54.000 -0.345 0.000 0.853 122 D CB 0.039 40.644 40.800 -0.324 0.000 0.967 122 D HN 0.561 nan 8.370 nan 0.000 0.496 123 Y N -1.151 119.105 120.300 -0.072 0.000 2.689 123 Y HA 0.442 4.993 4.550 0.002 0.000 0.333 123 Y C -0.540 175.266 175.900 -0.156 0.000 1.190 123 Y CA -1.597 56.435 58.100 -0.113 0.000 1.063 123 Y CB 1.528 39.917 38.460 -0.119 0.000 1.294 123 Y HN -0.308 nan 8.280 nan 0.000 0.466 124 I N -0.267 120.317 120.570 0.024 0.000 2.828 124 I HA 1.068 5.239 4.170 0.001 0.000 0.302 124 I C -1.175 174.945 176.117 0.005 0.000 1.101 124 I CA -0.880 60.387 61.300 -0.056 0.000 1.031 124 I CB 2.355 40.194 38.000 -0.269 0.000 1.231 124 I HN 0.646 nan 8.210 nan 0.000 0.427 125 A N 2.513 125.404 122.820 0.119 0.000 2.593 125 A HA 0.959 5.280 4.320 0.001 0.000 0.290 125 A C -0.545 177.141 177.584 0.170 0.000 1.126 125 A CA -0.068 52.002 52.037 0.055 0.000 0.695 125 A CB 1.744 20.723 19.000 -0.034 0.000 1.290 125 A HN 1.102 nan 8.150 nan 0.000 0.414 126 T N -2.978 111.722 114.554 0.243 0.000 2.762 126 T HA 0.594 4.944 4.350 0.001 0.000 0.301 126 T C 0.415 175.305 174.700 0.317 0.000 1.299 126 T CA 0.121 62.384 62.100 0.271 0.000 1.005 126 T CB 1.146 70.245 68.868 0.384 0.000 1.377 126 T HN 1.752 nan 8.240 nan 0.000 0.504 127 G N 0.291 109.220 108.800 0.215 0.000 3.530 127 G HA2 0.324 4.285 3.960 0.001 0.000 0.269 127 G HA3 0.324 4.285 3.960 0.001 0.000 0.269 127 G C -0.239 174.726 174.900 0.109 0.000 1.314 127 G CA -0.240 44.944 45.100 0.139 0.000 1.441 127 G HN 0.780 nan 8.290 nan 0.000 0.595 128 H N -0.690 118.477 119.070 0.161 0.000 2.527 128 H HA 0.206 4.762 4.556 0.001 0.000 0.321 128 H C -0.789 174.610 175.328 0.117 0.000 1.087 128 H CA -0.471 55.633 56.048 0.093 0.000 1.337 128 H CB 1.178 30.952 29.762 0.020 0.000 1.440 128 H HN 0.183 nan 8.280 nan 0.000 0.490 129 Y N 4.634 124.969 120.300 0.059 0.000 2.667 129 Y HA 0.378 4.928 4.550 0.001 0.000 0.340 129 Y C -0.781 175.152 175.900 0.056 0.000 1.303 129 Y CA -0.196 57.940 58.100 0.059 0.000 1.769 129 Y CB -0.472 38.005 38.460 0.029 0.000 1.804 129 Y HN 0.372 nan 8.280 nan 0.000 0.451 130 V N 4.960 124.771 119.914 -0.171 0.000 3.114 130 V HA 0.633 4.753 4.120 0.001 0.000 0.308 130 V C -1.264 174.744 176.094 -0.144 0.000 1.168 130 V CA -1.004 61.164 62.300 -0.220 0.000 1.015 130 V CB 2.527 34.178 31.823 -0.287 0.000 1.050 130 V HN 0.499 nan 8.190 nan 0.000 0.433 131 R N 2.312 122.767 120.500 -0.074 0.000 2.637 131 R HA 0.620 4.961 4.340 0.001 0.000 0.291 131 R C -0.771 175.631 176.300 0.170 0.000 0.963 131 R CA -0.792 55.347 56.100 0.065 0.000 0.901 131 R CB 2.276 32.581 30.300 0.009 0.000 1.160 131 R HN 0.713 nan 8.270 nan 0.000 0.457 132 R N 1.038 121.697 120.500 0.265 0.000 2.540 132 R HA 0.680 5.021 4.340 0.001 0.000 0.287 132 R C -1.481 174.894 176.300 0.124 0.000 0.980 132 R CA -0.347 55.900 56.100 0.244 0.000 0.966 132 R CB 1.564 31.993 30.300 0.216 0.000 1.106 132 R HN 0.726 nan 8.270 nan 0.000 0.480 133 A N 3.714 126.597 122.820 0.107 0.000 2.550 133 A HA 0.249 4.570 4.320 0.001 0.000 0.282 133 A C -1.839 175.787 177.584 0.070 0.000 1.071 133 A CA -0.857 51.224 52.037 0.074 0.000 0.838 133 A CB 1.272 20.311 19.000 0.066 0.000 1.361 133 A HN 0.799 nan 8.150 nan 0.000 0.408 134 D N 1.567 122.003 120.400 0.060 0.000 2.411 134 D HA 0.462 5.103 4.640 0.001 0.000 0.225 134 D C -0.372 175.954 176.300 0.044 0.000 1.156 134 D CA 0.446 54.481 54.000 0.058 0.000 0.874 134 D CB 1.297 42.134 40.800 0.061 0.000 1.034 134 D HN 0.209 nan 8.370 nan 0.000 0.502 135 V N 2.579 122.515 119.914 0.037 0.000 2.588 135 V HA 0.284 4.405 4.120 0.001 0.000 0.304 135 V C 0.173 176.276 176.094 0.016 0.000 1.042 135 V CA -0.905 61.410 62.300 0.026 0.000 0.877 135 V CB 1.862 33.700 31.823 0.025 0.000 0.996 135 V HN 0.616 nan 8.190 nan 0.000 0.425 136 D N 3.678 124.086 120.400 0.013 0.000 2.835 136 D HA -0.130 4.511 4.640 0.001 0.000 0.230 136 D C 1.195 177.497 176.300 0.004 0.000 1.130 136 D CA 1.978 55.981 54.000 0.006 0.000 0.738 136 D CB -1.149 39.650 40.800 -0.002 0.000 1.090 136 D HN 1.562 nan 8.370 nan 0.000 0.433 137 G N -0.346 108.463 108.800 0.015 0.000 2.347 137 G HA2 -0.383 3.577 3.960 0.001 0.000 0.247 137 G HA3 -0.383 3.577 3.960 0.001 0.000 0.247 137 G C 0.358 175.274 174.900 0.027 0.000 1.037 137 G CA 0.836 45.949 45.100 0.020 0.000 0.622 137 G HN 0.783 nan 8.290 nan 0.000 0.521 138 K N 1.005 121.410 120.400 0.009 0.000 2.244 138 K HA 0.629 4.949 4.320 0.001 0.000 0.260 138 K C 0.227 176.852 176.600 0.042 0.000 0.951 138 K CA 0.011 56.301 56.287 0.004 0.000 0.826 138 K CB 1.432 33.862 32.500 -0.118 0.000 1.108 138 K HN 0.156 nan 8.250 nan 0.000 0.433 139 S N 3.070 118.834 115.700 0.106 0.000 2.572 139 S HA 0.284 4.755 4.470 0.001 0.000 0.279 139 S C -0.526 174.149 174.600 0.124 0.000 1.341 139 S CA -0.261 58.012 58.200 0.121 0.000 1.043 139 S CB 0.340 63.630 63.200 0.149 0.000 0.887 139 S HN 0.632 nan 8.310 nan 0.000 0.516 140 R N 1.648 122.214 120.500 0.111 0.000 2.808 140 R HA 0.487 4.828 4.340 0.001 0.000 0.272 140 R C -1.531 174.839 176.300 0.118 0.000 0.995 140 R CA -0.994 55.170 56.100 0.106 0.000 0.917 140 R CB 1.269 31.614 30.300 0.074 0.000 1.217 140 R HN 0.529 nan 8.270 nan 0.000 0.471 141 L N 2.533 123.817 121.223 0.102 0.000 2.264 141 L HA 0.469 4.810 4.340 0.001 0.000 0.289 141 L C -1.216 175.706 176.870 0.087 0.000 1.044 141 L CA -0.102 54.787 54.840 0.081 0.000 0.807 141 L CB 0.769 42.847 42.059 0.031 0.000 1.192 141 L HN 0.422 nan 8.230 nan 0.000 0.425 142 L N 4.848 126.117 121.223 0.076 0.000 2.303 142 L HA 0.567 4.908 4.340 0.001 0.000 0.266 142 L C 1.208 178.115 176.870 0.063 0.000 1.011 142 L CA -1.025 53.866 54.840 0.085 0.000 0.818 142 L CB 1.795 43.893 42.059 0.064 0.000 1.326 142 L HN 0.614 nan 8.230 nan 0.000 0.435 143 R N 1.264 121.810 120.500 0.078 0.000 2.073 143 R HA 0.074 4.415 4.340 0.001 0.000 0.234 143 R C 0.483 176.748 176.300 -0.059 0.000 1.134 143 R CA 0.784 56.908 56.100 0.041 0.000 0.952 143 R CB -0.246 30.058 30.300 0.007 0.000 0.850 143 R HN 0.889 nan 8.270 nan 0.000 0.433 144 G N 0.794 109.545 108.800 -0.081 0.000 2.895 144 G HA2 -0.172 3.789 3.960 0.001 0.000 0.686 144 G HA3 -0.172 3.789 3.960 0.001 0.000 0.686 144 G C -0.304 174.512 174.900 -0.141 0.000 1.108 144 G CA -0.868 44.108 45.100 -0.208 0.000 0.761 144 G HN 0.146 nan 8.290 nan 0.000 0.611 145 L N 1.326 122.511 121.223 -0.063 0.000 2.587 145 L HA 0.019 4.359 4.340 0.001 0.000 0.315 145 L C 1.039 178.057 176.870 0.246 0.000 1.288 145 L CA 1.323 56.215 54.840 0.086 0.000 0.849 145 L CB 0.026 42.161 42.059 0.127 0.000 1.080 145 L HN 0.910 nan 8.230 nan 0.000 0.541 146 D N 0.502 121.019 120.400 0.194 0.000 2.828 146 D HA -0.154 4.487 4.640 0.001 0.000 0.241 146 D C 1.003 177.420 176.300 0.196 0.000 1.142 146 D CA 0.964 55.074 54.000 0.183 0.000 0.755 146 D CB -0.776 40.134 40.800 0.184 0.000 1.014 146 D HN 0.593 nan 8.370 nan 0.000 0.420 147 S N -0.052 115.709 115.700 0.102 0.000 2.407 147 S HA -0.294 4.177 4.470 0.001 0.000 0.235 147 S C 1.771 176.400 174.600 0.047 0.000 1.036 147 S CA 1.437 59.673 58.200 0.059 0.000 1.013 147 S CB -0.187 63.008 63.200 -0.008 0.000 0.820 147 S HN 0.621 nan 8.310 nan 0.000 0.476 148 N N 0.869 119.584 118.700 0.024 0.000 2.430 148 N HA -0.087 4.654 4.740 0.001 0.000 0.186 148 N C 1.180 176.688 175.510 -0.003 0.000 1.032 148 N CA 0.934 53.972 53.050 -0.019 0.000 0.893 148 N CB 0.089 38.555 38.487 -0.035 0.000 0.957 148 N HN 0.142 nan 8.380 nan 0.000 0.442 149 K N -0.112 120.329 120.400 0.069 0.000 2.373 149 K HA 0.078 4.399 4.320 0.001 0.000 0.200 149 K C -0.358 176.432 176.600 0.317 0.000 1.054 149 K CA -0.208 56.127 56.287 0.080 0.000 1.065 149 K CB -0.193 32.207 32.500 -0.167 0.000 0.886 149 K HN 0.208 nan 8.250 nan 0.000 0.546 150 D N 2.006 122.610 120.400 0.340 0.000 2.571 150 D HA -0.112 4.529 4.640 0.001 0.000 0.231 150 D C 0.256 176.779 176.300 0.373 0.000 1.133 150 D CA 0.972 55.164 54.000 0.321 0.000 0.862 150 D CB 0.763 41.660 40.800 0.162 0.000 1.179 150 D HN 0.047 nan 8.370 nan 0.000 0.474 151 Q N 1.458 121.438 119.800 0.301 0.000 2.139 151 Q HA 0.049 4.390 4.340 0.001 0.000 0.219 151 Q C 1.668 177.857 176.000 0.315 0.000 0.805 151 Q CA -0.020 55.937 55.803 0.256 0.000 1.024 151 Q CB 0.393 29.168 28.738 0.061 0.000 1.163 151 Q HN 0.633 nan 8.270 nan 0.000 0.485 152 S N -0.001 115.871 115.700 0.286 0.000 2.392 152 S HA -0.309 4.162 4.470 0.001 0.000 0.232 152 S C 1.750 176.564 174.600 0.356 0.000 1.041 152 S CA 1.196 59.549 58.200 0.254 0.000 1.026 152 S CB -0.618 62.776 63.200 0.324 0.000 0.845 152 S HN 0.556 nan 8.310 nan 0.000 0.465 153 Y N 1.963 122.503 120.300 0.399 0.000 2.096 153 Y HA -0.256 4.295 4.550 0.002 0.000 0.278 153 Y C 1.776 177.783 175.900 0.179 0.000 1.192 153 Y CA 1.997 60.286 58.100 0.316 0.000 1.143 153 Y CB -0.673 38.000 38.460 0.354 0.000 0.963 153 Y HN 0.282 nan 8.280 nan 0.000 0.505 154 F N -0.613 119.439 119.950 0.169 0.000 2.407 154 F HA -0.040 4.488 4.527 0.001 0.000 0.299 154 F C 1.348 177.118 175.800 -0.049 0.000 1.097 154 F CA 0.827 58.869 58.000 0.069 0.000 1.422 154 F CB -0.306 38.733 39.000 0.064 0.000 1.067 154 F HN -0.001 nan 8.300 nan 0.000 0.539 155 L N -0.138 121.118 121.223 0.054 0.000 2.984 155 L HA 0.074 4.415 4.340 0.001 0.000 0.246 155 L C 1.232 177.972 176.870 -0.217 0.000 1.268 155 L CA -0.267 54.445 54.840 -0.213 0.000 1.054 155 L CB -0.777 41.045 42.059 -0.395 0.000 1.393 155 L HN 0.220 nan 8.230 nan 0.000 0.532 156 Y N -0.761 119.395 120.300 -0.240 0.000 2.616 156 Y HA -0.084 4.467 4.550 0.002 0.000 0.296 156 Y C 2.145 177.909 175.900 -0.227 0.000 1.154 156 Y CA 0.999 58.952 58.100 -0.245 0.000 1.325 156 Y CB -0.494 37.765 38.460 -0.335 0.000 1.007 156 Y HN 0.255 nan 8.280 nan 0.000 0.542 157 T N -2.722 111.316 114.554 -0.860 0.000 3.037 157 T HA 0.174 4.525 4.350 0.001 0.000 0.252 157 T C 0.537 174.988 174.700 -0.415 0.000 1.073 157 T CA -0.244 61.364 62.100 -0.821 0.000 1.091 157 T CB -0.461 67.753 68.868 -1.091 0.000 0.935 157 T HN 0.083 nan 8.240 nan 0.000 0.488 158 L N 3.784 124.790 121.223 -0.361 0.000 2.516 158 L HA 0.281 4.622 4.340 0.001 0.000 0.288 158 L C 0.848 177.653 176.870 -0.108 0.000 1.246 158 L CA 0.474 55.161 54.840 -0.255 0.000 0.844 158 L CB 0.367 42.218 42.059 -0.346 0.000 1.106 158 L HN 0.576 nan 8.230 nan 0.000 0.509 159 S N 0.627 116.290 115.700 -0.061 0.000 2.607 159 S HA 0.391 4.862 4.470 0.001 0.000 0.303 159 S C 1.092 175.692 174.600 -0.000 0.000 1.086 159 S CA -0.402 57.799 58.200 0.001 0.000 0.995 159 S CB 1.210 64.370 63.200 -0.066 0.000 1.084 159 S HN 0.739 nan 8.310 nan 0.000 0.507 160 H N 0.956 120.055 119.070 0.048 0.000 2.353 160 H HA -0.109 4.448 4.556 0.001 0.000 0.298 160 H C 1.221 176.582 175.328 0.055 0.000 1.103 160 H CA 1.805 57.887 56.048 0.057 0.000 1.293 160 H CB -0.742 29.054 29.762 0.056 0.000 1.372 160 H HN 0.691 nan 8.280 nan 0.000 0.501 161 E N 1.130 120.999 120.200 -0.551 0.000 2.130 161 E HA -0.176 4.175 4.350 0.001 0.000 0.196 161 E C 2.275 178.822 176.600 -0.088 0.000 0.998 161 E CA 1.262 57.487 56.400 -0.292 0.000 0.806 161 E CB -0.045 29.455 29.700 -0.333 0.000 0.738 161 E HN 0.737 nan 8.360 nan 0.000 0.459 162 Q N -0.481 119.285 119.800 -0.057 0.000 2.123 162 Q HA 0.072 4.412 4.340 0.001 0.000 0.196 162 Q C 2.421 178.480 176.000 0.098 0.000 0.958 162 Q CA 0.477 56.303 55.803 0.037 0.000 0.841 162 Q CB 0.113 28.876 28.738 0.042 0.000 0.915 162 Q HN 0.269 nan 8.270 nan 0.000 0.455 163 I N 1.012 121.640 120.570 0.098 0.000 2.361 163 I HA -0.265 3.905 4.170 0.001 0.000 0.251 163 I C 2.339 178.517 176.117 0.102 0.000 1.133 163 I CA 0.820 62.215 61.300 0.159 0.000 1.413 163 I CB -0.375 37.740 38.000 0.192 0.000 1.073 163 I HN 0.166 nan 8.210 nan 0.000 0.424 164 A N 0.495 123.376 122.820 0.101 0.000 1.933 164 A HA -0.245 4.076 4.320 0.001 0.000 0.218 164 A C 2.187 179.860 177.584 0.148 0.000 1.175 164 A CA 1.580 53.684 52.037 0.112 0.000 0.628 164 A CB -0.471 18.590 19.000 0.102 0.000 0.814 164 A HN 0.530 nan 8.150 nan 0.000 0.444 165 Q N -0.287 119.582 119.800 0.115 0.000 2.424 165 Q HA 0.149 4.490 4.340 0.001 0.000 0.204 165 Q C 0.250 176.338 176.000 0.146 0.000 0.933 165 Q CA 0.191 56.083 55.803 0.148 0.000 0.929 165 Q CB 0.240 29.000 28.738 0.036 0.000 1.037 165 Q HN 0.490 nan 8.270 nan 0.000 0.511 166 S N 0.487 116.195 115.700 0.013 0.000 2.646 166 S HA 0.453 4.924 4.470 0.001 0.000 0.276 166 S C -0.767 173.515 174.600 -0.531 0.000 1.222 166 S CA -0.519 57.556 58.200 -0.207 0.000 1.014 166 S CB 0.986 64.098 63.200 -0.147 0.000 0.991 166 S HN 0.042 nan 8.310 nan 0.000 0.533 167 L N 2.476 123.294 121.223 -0.675 0.000 2.406 167 L HA 0.484 4.825 4.340 0.001 0.000 0.270 167 L C -1.640 174.891 176.870 -0.565 0.000 0.982 167 L CA -0.087 54.376 54.840 -0.628 0.000 0.843 167 L CB 0.603 42.351 42.059 -0.518 0.000 1.225 167 L HN 0.587 nan 8.230 nan 0.000 0.412 168 F N 5.731 125.687 119.950 0.010 0.000 2.293 168 F HA 0.453 4.981 4.527 0.001 0.000 0.370 168 F C -1.354 174.456 175.800 0.017 0.000 1.090 168 F CA -1.243 56.785 58.000 0.046 0.000 1.133 168 F CB 0.979 40.016 39.000 0.062 0.000 1.360 168 F HN 0.398 nan 8.300 nan 0.000 0.489 169 P HA -0.086 nan 4.420 nan 0.000 0.216 169 P C 1.638 179.024 177.300 0.143 0.000 1.151 169 P CA 0.962 64.125 63.100 0.105 0.000 0.863 169 P CB 0.154 31.894 31.700 0.067 0.000 0.790 170 V N -1.611 118.414 119.914 0.186 0.000 2.794 170 V HA -0.081 4.040 4.120 0.001 0.000 0.260 170 V C 2.365 178.608 176.094 0.248 0.000 1.103 170 V CA 2.114 64.556 62.300 0.237 0.000 1.125 170 V CB -2.384 29.597 31.823 0.263 0.000 0.702 170 V HN 0.128 nan 8.190 nan 0.000 0.494 171 G N -0.746 108.079 108.800 0.043 0.000 2.813 171 G HA2 0.003 3.964 3.960 0.001 0.000 0.209 171 G HA3 0.003 3.964 3.960 0.001 0.000 0.209 171 G C 1.342 176.119 174.900 -0.206 0.000 1.150 171 G CA 0.229 45.104 45.100 -0.374 0.000 0.785 171 G HN 0.498 nan 8.290 nan 0.000 0.535 172 E N -0.036 120.169 120.200 0.008 0.000 2.371 172 E HA 0.148 4.499 4.350 0.001 0.000 0.194 172 E C 1.298 177.957 176.600 0.097 0.000 1.012 172 E CA 0.034 56.461 56.400 0.045 0.000 0.860 172 E CB 0.241 29.980 29.700 0.065 0.000 0.811 172 E HN 0.402 nan 8.360 nan 0.000 0.502 173 L N 0.516 121.842 121.223 0.173 0.000 2.569 173 L HA 0.311 4.652 4.340 0.001 0.000 0.247 173 L C 0.542 177.581 176.870 0.282 0.000 1.135 173 L CA -0.629 54.333 54.840 0.202 0.000 0.812 173 L CB 0.441 42.621 42.059 0.202 0.000 1.431 173 L HN -0.209 nan 8.230 nan 0.000 0.499 174 E N 0.179 120.494 120.200 0.192 0.000 2.133 174 E HA 0.099 4.450 4.350 0.001 0.000 0.274 174 E C -0.077 176.547 176.600 0.040 0.000 0.930 174 E CA -0.532 55.959 56.400 0.151 0.000 0.770 174 E CB 2.276 32.026 29.700 0.084 0.000 1.104 174 E HN 0.322 nan 8.360 nan 0.000 0.403 175 K N 4.671 124.984 120.400 -0.144 0.000 2.148 175 K HA -0.211 4.110 4.320 0.001 0.000 0.213 175 K C -0.863 175.658 176.600 -0.131 0.000 1.050 175 K CA 2.239 58.349 56.287 -0.296 0.000 0.932 175 K CB -0.998 31.224 32.500 -0.463 0.000 0.717 175 K HN 0.364 nan 8.250 nan 0.000 0.462 176 P HA -0.219 nan 4.420 nan 0.000 0.214 176 P C 0.985 178.263 177.300 -0.035 0.000 1.163 176 P CA 1.707 64.774 63.100 -0.055 0.000 0.889 176 P CB -0.173 31.506 31.700 -0.035 0.000 0.790 177 Q N -0.225 119.571 119.800 -0.007 0.000 2.082 177 Q HA -0.159 4.182 4.340 0.001 0.000 0.211 177 Q C 2.353 178.353 176.000 -0.001 0.000 1.002 177 Q CA 1.941 57.750 55.803 0.011 0.000 0.868 177 Q CB -1.183 27.586 28.738 0.051 0.000 0.931 177 Q HN 0.093 nan 8.270 nan 0.000 0.414 178 V N 0.916 120.835 119.914 0.007 0.000 2.223 178 V HA -0.371 3.750 4.120 0.001 0.000 0.246 178 V C 2.261 178.333 176.094 -0.036 0.000 1.045 178 V CA 2.410 64.712 62.300 0.003 0.000 1.004 178 V CB -0.787 31.036 31.823 0.001 0.000 0.641 178 V HN 0.381 nan 8.190 nan 0.000 0.457 179 R N -0.492 119.977 120.500 -0.052 0.000 2.204 179 R HA -0.242 4.099 4.340 0.001 0.000 0.253 179 R C 2.388 178.649 176.300 -0.065 0.000 1.172 179 R CA 1.649 57.712 56.100 -0.060 0.000 0.994 179 R CB -0.154 30.107 30.300 -0.064 0.000 0.874 179 R HN 0.361 nan 8.270 nan 0.000 0.462 180 K N 0.736 121.099 120.400 -0.061 0.000 1.975 180 K HA -0.061 4.259 4.320 0.001 0.000 0.210 180 K C 2.030 178.570 176.600 -0.100 0.000 1.041 180 K CA 1.416 57.663 56.287 -0.066 0.000 0.942 180 K CB -0.556 31.915 32.500 -0.048 0.000 0.729 180 K HN 0.178 nan 8.250 nan 0.000 0.439 181 I N 1.422 121.921 120.570 -0.117 0.000 2.181 181 I HA -0.378 3.793 4.170 0.001 0.000 0.247 181 I C 2.280 178.230 176.117 -0.278 0.000 1.081 181 I CA 1.523 62.690 61.300 -0.222 0.000 1.340 181 I CB -0.329 37.526 38.000 -0.242 0.000 1.036 181 I HN 0.172 nan 8.210 nan 0.000 0.417 182 A N 0.424 123.129 122.820 -0.192 0.000 1.917 182 A HA -0.259 4.062 4.320 0.001 0.000 0.219 182 A C 2.177 179.672 177.584 -0.148 0.000 1.182 182 A CA 2.087 54.025 52.037 -0.166 0.000 0.633 182 A CB -0.570 18.371 19.000 -0.098 0.000 0.819 182 A HN 0.572 nan 8.150 nan 0.000 0.448 183 E N -0.298 119.830 120.200 -0.120 0.000 2.016 183 E HA -0.148 4.203 4.350 0.001 0.000 0.190 183 E C 1.174 177.709 176.600 -0.109 0.000 0.985 183 E CA 0.874 57.217 56.400 -0.095 0.000 0.802 183 E CB -0.417 29.240 29.700 -0.073 0.000 0.762 183 E HN 0.418 nan 8.360 nan 0.000 0.448 184 D N 0.438 120.764 120.400 -0.124 0.000 2.393 184 D HA -0.113 4.528 4.640 0.001 0.000 0.220 184 D C 0.826 177.033 176.300 -0.156 0.000 0.974 184 D CA 0.927 54.853 54.000 -0.124 0.000 0.931 184 D CB 0.088 40.811 40.800 -0.128 0.000 0.889 184 D HN 0.135 nan 8.370 nan 0.000 0.512 185 L N -0.865 120.241 121.223 -0.196 0.000 3.288 185 L HA 0.252 4.593 4.340 0.001 0.000 0.293 185 L C 0.806 177.599 176.870 -0.129 0.000 1.294 185 L CA -0.408 54.307 54.840 -0.208 0.000 1.006 185 L CB 0.666 42.484 42.059 -0.401 0.000 1.407 185 L HN -0.059 nan 8.230 nan 0.000 0.592 186 G N 1.459 110.204 108.800 -0.092 0.000 2.424 186 G HA2 -0.280 3.681 3.960 0.001 0.000 0.294 186 G HA3 -0.280 3.681 3.960 0.001 0.000 0.294 186 G C -0.018 174.848 174.900 -0.056 0.000 0.939 186 G CA 0.515 45.578 45.100 -0.060 0.000 1.143 186 G HN 0.326 nan 8.290 nan 0.000 0.507 187 L N -0.705 120.476 121.223 -0.071 0.000 2.334 187 L HA 0.581 4.922 4.340 0.001 0.000 0.270 187 L C 1.129 177.974 176.870 -0.042 0.000 1.018 187 L CA -1.519 53.288 54.840 -0.054 0.000 0.811 187 L CB 1.861 43.878 42.059 -0.071 0.000 1.271 187 L HN 0.151 nan 8.230 nan 0.000 0.443 188 V N -0.764 119.135 119.914 -0.026 0.000 2.425 188 V HA 0.250 4.370 4.120 0.001 0.000 0.276 188 V C 0.155 176.233 176.094 -0.027 0.000 1.017 188 V CA -0.015 62.272 62.300 -0.021 0.000 1.062 188 V CB -0.319 31.499 31.823 -0.009 0.000 0.997 188 V HN 0.794 nan 8.190 nan 0.000 0.476 197 G N 1.821 110.616 108.800 -0.007 0.000 2.770 197 G HA2 0.007 3.968 3.960 0.001 0.000 0.686 197 G HA3 0.007 3.968 3.960 0.001 0.000 0.686 197 G C 0.326 175.232 174.900 0.010 0.000 1.180 197 G CA -0.279 44.803 45.100 -0.030 0.000 0.767 197 G HN 0.810 nan 8.290 nan 0.000 0.646 198 I N 0.524 121.060 120.570 -0.056 0.000 2.339 198 I HA -0.028 4.143 4.170 0.001 0.000 0.245 198 I C 2.553 178.672 176.117 0.003 0.000 1.096 198 I CA 1.333 62.594 61.300 -0.066 0.000 1.408 198 I CB -0.067 37.867 38.000 -0.110 0.000 1.092 198 I HN 0.626 nan 8.210 nan 0.000 0.423 199 c N 1.136 119.778 118.600 0.070 0.000 2.460 199 c HA -0.104 4.467 4.570 0.001 0.000 0.291 199 c C 2.117 176.267 174.090 0.101 0.000 1.493 199 c CA 0.509 56.915 56.329 0.129 0.000 1.748 199 c CB -2.116 40.475 42.510 0.134 0.000 1.656 199 c HN 0.686 nan 8.230 nan 0.000 0.576 200 F N 0.677 120.559 119.950 -0.114 0.000 2.479 200 F HA 0.238 4.766 4.527 0.002 0.000 0.280 200 F C 2.001 177.643 175.800 -0.263 0.000 0.982 200 F CA 0.647 58.556 58.000 -0.152 0.000 1.276 200 F CB -0.493 38.434 39.000 -0.122 0.000 1.137 200 F HN -0.081 nan 8.300 nan 0.000 0.660 201 I N 1.358 121.729 120.570 -0.332 0.000 2.236 201 I HA -0.264 3.907 4.170 0.001 0.000 0.249 201 I C 2.592 178.292 176.117 -0.696 0.000 1.102 201 I CA 1.827 62.770 61.300 -0.595 0.000 1.365 201 I CB -2.327 35.453 38.000 -0.368 0.000 1.051 201 I HN 0.393 nan 8.210 nan 0.000 0.420 202 G N 0.022 108.459 108.800 -0.604 0.000 2.396 202 G HA2 -0.219 3.742 3.960 0.001 0.000 0.214 202 G HA3 -0.219 3.742 3.960 0.001 0.000 0.214 202 G C 1.577 175.919 174.900 -0.930 0.000 1.166 202 G CA 0.557 45.132 45.100 -0.875 0.000 0.793 202 G HN 0.491 nan 8.290 nan 0.000 0.533 203 E N 0.218 119.999 120.200 -0.697 0.000 2.160 203 E HA -0.163 4.188 4.350 0.001 0.000 0.195 203 E C 2.543 178.840 176.600 -0.506 0.000 0.991 203 E CA 0.548 56.595 56.400 -0.590 0.000 0.810 203 E CB -0.035 29.507 29.700 -0.264 0.000 0.742 203 E HN 0.201 nan 8.360 nan 0.000 0.466 204 R N 0.491 120.598 120.500 -0.655 0.000 2.070 204 R HA -0.112 4.229 4.340 0.001 0.000 0.232 204 R C 2.262 178.308 176.300 -0.423 0.000 1.138 204 R CA 1.205 56.966 56.100 -0.565 0.000 0.936 204 R CB -0.373 29.487 30.300 -0.733 0.000 0.839 204 R HN 0.112 nan 8.270 nan 0.000 0.429 205 K N 0.295 120.341 120.400 -0.590 0.000 2.089 205 K HA -0.168 4.152 4.320 0.001 0.000 0.210 205 K C 2.098 178.519 176.600 -0.299 0.000 1.048 205 K CA 1.410 57.324 56.287 -0.623 0.000 0.926 205 K CB -0.674 30.995 32.500 -1.385 0.000 0.714 205 K HN 0.128 nan 8.250 nan 0.000 0.448 206 F N 1.693 121.306 119.950 -0.561 0.000 2.102 206 F HA -0.136 4.392 4.527 0.002 0.000 0.298 206 F C 2.369 178.156 175.800 -0.023 0.000 1.105 206 F CA 1.105 58.897 58.000 -0.347 0.000 1.239 206 F CB -0.552 37.968 39.000 -0.800 0.000 0.991 206 F HN -0.001 nan 8.300 nan 0.000 0.474 207 R N 0.345 120.931 120.500 0.144 0.000 2.096 207 R HA -0.155 4.186 4.340 0.001 0.000 0.235 207 R C 2.051 178.377 176.300 0.043 0.000 1.127 207 R CA 1.379 57.543 56.100 0.107 0.000 0.968 207 R CB -0.838 29.465 30.300 0.005 0.000 0.861 207 R HN 0.339 nan 8.270 nan 0.000 0.440 208 E N 0.663 120.855 120.200 -0.013 0.000 2.006 208 E HA -0.163 4.188 4.350 0.001 0.000 0.192 208 E C 1.758 178.397 176.600 0.063 0.000 0.993 208 E CA 1.177 57.572 56.400 -0.009 0.000 0.808 208 E CB -0.645 29.017 29.700 -0.064 0.000 0.764 208 E HN 0.140 nan 8.360 nan 0.000 0.449 209 F N 0.934 120.809 119.950 -0.126 0.000 2.126 209 F HA -0.067 4.461 4.527 0.001 0.000 0.299 209 F C 2.083 177.940 175.800 0.095 0.000 1.096 209 F CA 1.371 59.319 58.000 -0.087 0.000 1.255 209 F CB -0.315 38.491 39.000 -0.322 0.000 0.997 209 F HN 0.083 nan 8.300 nan 0.000 0.479 210 L N -0.788 120.592 121.223 0.262 0.000 2.447 210 L HA -0.189 4.152 4.340 0.001 0.000 0.225 210 L C 2.344 179.305 176.870 0.151 0.000 1.148 210 L CA 0.936 55.946 54.840 0.283 0.000 0.808 210 L CB -1.270 40.988 42.059 0.332 0.000 0.928 210 L HN 0.315 nan 8.230 nan 0.000 0.448 211 G N -0.381 108.462 108.800 0.072 0.000 2.664 211 G HA2 -0.174 3.787 3.960 0.001 0.000 0.216 211 G HA3 -0.174 3.787 3.960 0.001 0.000 0.216 211 G C 1.491 176.375 174.900 -0.026 0.000 1.243 211 G CA 0.368 45.488 45.100 0.032 0.000 0.859 211 G HN 0.135 nan 8.290 nan 0.000 0.574 212 R N -0.434 120.013 120.500 -0.089 0.000 2.115 212 R HA -0.177 4.163 4.340 0.001 0.000 0.239 212 R C 1.969 178.136 176.300 -0.221 0.000 1.133 212 R CA 1.710 57.715 56.100 -0.158 0.000 0.935 212 R CB -1.260 28.916 30.300 -0.207 0.000 0.853 212 R HN 0.397 nan 8.270 nan 0.000 0.433 213 Y N 0.309 120.260 120.300 -0.582 0.000 2.783 213 Y HA -0.040 4.511 4.550 0.001 0.000 0.196 213 Y C 0.250 176.045 175.900 -0.175 0.000 0.868 213 Y CA 0.944 58.744 58.100 -0.499 0.000 0.862 213 Y CB -0.837 37.222 38.460 -0.669 0.000 1.022 213 Y HN 0.156 nan 8.280 nan 0.000 0.556 214 L N 4.893 126.222 121.223 0.177 0.000 2.737 214 L HA 0.075 4.416 4.340 0.001 0.000 0.275 214 L C -2.455 174.446 176.870 0.051 0.000 1.179 214 L CA -1.269 53.633 54.840 0.103 0.000 0.970 214 L CB -0.644 41.592 42.059 0.295 0.000 1.268 214 L HN 0.182 nan 8.230 nan 0.000 0.485 215 P HA 0.260 nan 4.420 nan 0.000 0.282 215 P C -0.960 176.355 177.300 0.025 0.000 1.249 215 P CA -0.631 62.470 63.100 0.002 0.000 0.806 215 P CB 1.117 32.797 31.700 -0.035 0.000 0.984 216 A N 3.255 126.094 122.820 0.032 0.000 2.386 216 A HA 0.189 4.510 4.320 0.001 0.000 0.248 216 A C 0.184 177.751 177.584 -0.029 0.000 1.082 216 A CA -0.045 51.989 52.037 -0.006 0.000 0.789 216 A CB -0.111 18.864 19.000 -0.042 0.000 1.025 216 A HN 0.591 nan 8.150 nan 0.000 0.490 217 Q N 1.752 121.526 119.800 -0.043 0.000 2.771 217 Q HA 0.255 4.596 4.340 0.001 0.000 0.247 217 Q C -2.603 173.382 176.000 -0.024 0.000 0.986 217 Q CA -1.756 54.032 55.803 -0.026 0.000 0.713 217 Q CB 1.861 30.596 28.738 -0.005 0.000 1.241 217 Q HN 0.622 nan 8.270 nan 0.000 0.488 218 P HA 0.043 nan 4.420 nan 0.000 0.267 218 P C -0.207 177.043 177.300 -0.084 0.000 1.205 218 P CA 0.342 63.420 63.100 -0.036 0.000 0.765 218 P CB 1.426 33.096 31.700 -0.049 0.000 0.828 219 G N 2.692 111.366 108.800 -0.210 0.000 3.212 219 G HA2 0.586 4.547 3.960 0.001 0.000 0.188 219 G HA3 0.586 4.547 3.960 0.001 0.000 0.188 219 G C -1.118 173.314 174.900 -0.780 0.000 1.254 219 G CA -0.727 44.109 45.100 -0.440 0.000 0.957 219 G HN 0.405 nan 8.290 nan 0.000 0.596 220 K N -0.248 119.675 120.400 -0.796 0.000 2.422 220 K HA 0.481 4.802 4.320 0.001 0.000 0.251 220 K C -0.962 175.456 176.600 -0.304 0.000 0.933 220 K CA -0.600 55.393 56.287 -0.489 0.000 0.798 220 K CB 2.891 35.263 32.500 -0.214 0.000 1.238 220 K HN 0.295 nan 8.250 nan 0.000 0.428 221 I N 3.863 124.385 120.570 -0.080 0.000 2.581 221 I HA 0.339 4.510 4.170 0.001 0.000 0.288 221 I C 0.310 176.465 176.117 0.062 0.000 1.047 221 I CA -0.528 60.832 61.300 0.100 0.000 1.374 221 I CB 0.561 38.637 38.000 0.126 0.000 1.423 221 I HN 0.560 nan 8.210 nan 0.000 0.549 222 I N 1.462 122.083 120.570 0.086 0.000 2.827 222 I HA 0.498 4.669 4.170 0.001 0.000 0.298 222 I C -0.060 176.109 176.117 0.087 0.000 1.235 222 I CA -0.582 60.762 61.300 0.073 0.000 1.021 222 I CB 2.290 40.319 38.000 0.047 0.000 1.259 222 I HN 0.608 nan 8.210 nan 0.000 0.427 223 T N 1.428 116.039 114.554 0.095 0.000 2.770 223 T HA 0.287 4.638 4.350 0.001 0.000 0.281 223 T C 1.103 175.828 174.700 0.041 0.000 0.981 223 T CA -0.388 61.759 62.100 0.079 0.000 0.955 223 T CB 1.446 70.385 68.868 0.119 0.000 1.060 223 T HN 0.495 nan 8.240 nan 0.000 0.531 224 V N 0.858 120.777 119.914 0.009 0.000 3.026 224 V HA -0.046 4.075 4.120 0.001 0.000 0.265 224 V C 1.489 177.608 176.094 0.043 0.000 1.121 224 V CA 1.627 63.947 62.300 0.034 0.000 1.142 224 V CB -0.730 31.134 31.823 0.067 0.000 0.730 224 V HN 0.830 nan 8.190 nan 0.000 0.503 225 D N 0.338 120.763 120.400 0.041 0.000 2.368 225 D HA 0.236 4.877 4.640 0.001 0.000 0.218 225 D C 1.242 177.567 176.300 0.041 0.000 1.112 225 D CA 0.760 54.786 54.000 0.043 0.000 0.834 225 D CB 0.436 41.265 40.800 0.049 0.000 0.953 225 D HN 0.438 nan 8.370 nan 0.000 0.505 226 G N 2.496 111.321 108.800 0.042 0.000 2.402 226 G HA2 -0.200 3.761 3.960 0.001 0.000 0.241 226 G HA3 -0.200 3.761 3.960 0.001 0.000 0.241 226 G C -0.814 174.109 174.900 0.038 0.000 0.871 226 G CA -0.139 44.984 45.100 0.037 0.000 1.232 226 G HN 0.183 nan 8.290 nan 0.000 0.369 227 D N 1.253 121.681 120.400 0.046 0.000 2.764 227 D HA 0.297 4.938 4.640 0.001 0.000 0.227 227 D C 0.269 176.594 176.300 0.041 0.000 1.347 227 D CA -0.695 53.331 54.000 0.044 0.000 0.953 227 D CB 1.494 42.329 40.800 0.058 0.000 1.476 227 D HN 0.527 nan 8.370 nan 0.000 0.585 228 E N 1.659 121.872 120.200 0.021 0.000 2.604 228 E HA -0.008 4.343 4.350 0.001 0.000 0.267 228 E C 0.099 176.710 176.600 0.019 0.000 0.970 228 E CA 0.701 57.106 56.400 0.010 0.000 0.956 228 E CB 0.540 30.236 29.700 -0.005 0.000 0.939 228 E HN 0.648 nan 8.360 nan 0.000 0.465 229 I N 1.567 122.148 120.570 0.018 0.000 4.494 229 I HA 0.327 4.498 4.170 0.001 0.000 0.393 229 I C 0.119 176.243 176.117 0.010 0.000 1.100 229 I CA 0.662 61.974 61.300 0.020 0.000 1.300 229 I CB -0.062 37.977 38.000 0.066 0.000 2.388 229 I HN 0.597 nan 8.210 nan 0.000 0.754 230 G N 0.594 109.398 108.800 0.007 0.000 2.342 230 G HA2 0.318 4.279 3.960 0.001 0.000 0.297 230 G HA3 0.318 4.279 3.960 0.001 0.000 0.297 230 G C -1.667 173.222 174.900 -0.020 0.000 1.313 230 G CA -0.539 44.566 45.100 0.008 0.000 0.830 230 G HN 0.060 nan 8.290 nan 0.000 0.506 231 E N -1.588 118.613 120.200 0.002 0.000 2.672 231 E HA 0.573 4.924 4.350 0.001 0.000 0.235 231 E C 0.141 176.801 176.600 0.101 0.000 0.906 231 E CA -0.739 55.633 56.400 -0.047 0.000 0.973 231 E CB 1.770 31.451 29.700 -0.032 0.000 1.478 231 E HN 0.634 nan 8.360 nan 0.000 0.430 232 H N -1.026 118.006 119.070 -0.063 0.000 2.258 232 H HA 0.123 4.680 4.556 0.001 0.000 0.185 232 H C 0.071 175.350 175.328 -0.083 0.000 0.986 232 H CA -0.416 55.573 56.048 -0.098 0.000 1.166 232 H CB 1.125 30.800 29.762 -0.145 0.000 1.161 232 H HN 0.242 nan 8.280 nan 0.000 0.420 233 Q N -0.616 119.190 119.800 0.010 0.000 2.393 233 Q HA -0.099 4.242 4.340 0.001 0.000 0.181 233 Q C 0.214 175.953 176.000 -0.436 0.000 0.594 233 Q CA 0.965 56.683 55.803 -0.141 0.000 1.339 233 Q CB -1.436 27.254 28.738 -0.079 0.000 1.164 233 Q HN 0.787 nan 8.270 nan 0.000 0.974 234 G N -0.768 107.830 108.800 -0.338 0.000 2.350 234 G HA2 0.302 4.263 3.960 0.001 0.000 0.305 234 G HA3 0.302 4.263 3.960 0.001 0.000 0.305 234 G C -0.659 174.093 174.900 -0.247 0.000 1.479 234 G CA -0.246 44.588 45.100 -0.444 0.000 0.949 234 G HN 0.032 nan 8.290 nan 0.000 0.651 235 L N 0.792 121.938 121.223 -0.128 0.000 2.609 235 L HA 0.416 4.756 4.340 0.001 0.000 0.230 235 L C 2.526 179.438 176.870 0.070 0.000 1.087 235 L CA 1.452 56.215 54.840 -0.129 0.000 0.874 235 L CB -0.120 41.886 42.059 -0.088 0.000 1.114 235 L HN 0.711 nan 8.230 nan 0.000 0.488 236 M N -3.462 116.221 119.600 0.140 0.000 2.595 236 M HA 0.017 4.498 4.480 0.001 0.000 0.248 236 M C 0.952 177.441 176.300 0.315 0.000 1.119 236 M CA 1.357 56.772 55.300 0.191 0.000 1.079 236 M CB -0.636 32.000 32.600 0.059 0.000 1.472 236 M HN 0.103 nan 8.290 nan 0.000 0.501 237 Y N -0.212 120.132 120.300 0.073 0.000 2.466 237 Y HA 0.204 4.755 4.550 0.001 0.000 0.272 237 Y C 0.002 175.846 175.900 -0.092 0.000 1.169 237 Y CA -0.840 57.263 58.100 0.006 0.000 1.285 237 Y CB 0.045 38.508 38.460 0.005 0.000 1.078 237 Y HN 0.332 nan 8.280 nan 0.000 0.523 238 H N -1.612 117.541 119.070 0.139 0.000 2.865 238 H HA 0.489 5.046 4.556 0.001 0.000 0.372 238 H C -0.566 174.820 175.328 0.096 0.000 1.173 238 H CA -0.990 55.113 56.048 0.093 0.000 1.147 238 H CB 2.196 31.976 29.762 0.030 0.000 1.805 238 H HN -0.235 nan 8.280 nan 0.000 0.553 239 T N 1.015 115.697 114.554 0.214 0.000 2.883 239 T HA 0.431 4.782 4.350 0.001 0.000 0.301 239 T C -0.806 173.979 174.700 0.141 0.000 1.158 239 T CA -0.887 61.307 62.100 0.156 0.000 1.007 239 T CB 0.705 69.653 68.868 0.132 0.000 1.186 239 T HN 0.405 nan 8.240 nan 0.000 0.499 240 L N 2.607 123.893 121.223 0.106 0.000 2.506 240 L HA 0.321 4.662 4.340 0.001 0.000 0.281 240 L C 1.906 178.833 176.870 0.095 0.000 1.228 240 L CA 0.868 55.763 54.840 0.092 0.000 0.850 240 L CB -0.212 41.883 42.059 0.059 0.000 1.110 240 L HN 1.170 nan 8.230 nan 0.000 0.496 241 G N 1.571 110.435 108.800 0.105 0.000 2.234 241 G HA2 -0.327 3.633 3.960 0.001 0.000 0.260 241 G HA3 -0.327 3.633 3.960 0.001 0.000 0.260 241 G C 0.406 175.449 174.900 0.239 0.000 0.987 241 G CA 0.462 45.624 45.100 0.103 0.000 0.625 241 G HN 0.710 nan 8.290 nan 0.000 0.532 242 Q N 0.564 120.498 119.800 0.224 0.000 2.311 242 Q HA 0.461 4.802 4.340 0.001 0.000 0.272 242 Q C 1.461 177.644 176.000 0.305 0.000 1.012 242 Q CA 0.151 56.091 55.803 0.228 0.000 0.891 242 Q CB 0.438 29.276 28.738 0.168 0.000 1.201 242 Q HN 0.538 nan 8.270 nan 0.000 0.391 243 R N 3.378 124.046 120.500 0.281 0.000 2.064 243 R HA 0.064 4.405 4.340 0.001 0.000 0.210 243 R C 0.075 176.430 176.300 0.092 0.000 1.221 243 R CA 0.320 56.531 56.100 0.185 0.000 1.055 243 R CB 0.081 30.494 30.300 0.188 0.000 0.946 243 R HN 0.715 nan 8.270 nan 0.000 0.459 244 K N -0.424 120.021 120.400 0.074 0.000 2.397 244 K HA 0.134 4.455 4.320 0.001 0.000 0.265 244 K C 0.469 177.092 176.600 0.038 0.000 0.982 244 K CA 0.841 57.152 56.287 0.041 0.000 0.931 244 K CB 0.618 33.135 32.500 0.027 0.000 0.943 244 K HN 0.381 nan 8.250 nan 0.000 0.501 245 G N 1.258 110.079 108.800 0.035 0.000 2.475 245 G HA2 -0.301 3.660 3.960 0.001 0.000 0.209 245 G HA3 -0.301 3.660 3.960 0.001 0.000 0.209 245 G C 0.864 175.853 174.900 0.148 0.000 1.127 245 G CA 0.160 45.282 45.100 0.037 0.000 0.681 245 G HN 0.493 nan 8.290 nan 0.000 0.517 246 L N 1.187 122.523 121.223 0.188 0.000 1.955 246 L HA 0.323 4.664 4.340 0.001 0.000 0.213 246 L C 2.005 178.940 176.870 0.110 0.000 1.072 246 L CA 1.691 56.650 54.840 0.199 0.000 0.755 246 L CB -1.041 41.130 42.059 0.188 0.000 0.888 246 L HN 1.695 nan 8.230 nan 0.000 0.432 247 G N 0.954 109.787 108.800 0.054 0.000 2.799 247 G HA2 -0.162 3.799 3.960 0.001 0.000 0.271 247 G HA3 -0.162 3.799 3.960 0.001 0.000 0.271 247 G C -0.896 173.977 174.900 -0.045 0.000 1.067 247 G CA -0.503 44.600 45.100 0.005 0.000 1.251 247 G HN 0.083 nan 8.290 nan 0.000 0.560 248 I N 0.097 120.602 120.570 -0.109 0.000 2.689 248 I HA 0.761 4.932 4.170 0.001 0.000 0.299 248 I C 1.154 177.102 176.117 -0.281 0.000 1.059 248 I CA 0.077 61.230 61.300 -0.246 0.000 1.055 248 I CB 2.183 39.915 38.000 -0.448 0.000 1.243 248 I HN 0.379 nan 8.210 nan 0.000 0.425 249 G N 2.701 111.319 108.800 -0.304 0.000 3.377 249 G HA2 0.512 4.472 3.960 0.001 0.000 0.257 249 G HA3 0.512 4.472 3.960 0.001 0.000 0.257 249 G C 0.536 175.260 174.900 -0.293 0.000 1.038 249 G CA 0.078 45.029 45.100 -0.248 0.000 0.809 249 G HN 1.131 nan 8.290 nan 0.000 0.526 250 G N -0.489 108.030 108.800 -0.470 0.000 2.881 250 G HA2 0.128 4.089 3.960 0.001 0.000 0.681 250 G HA3 0.128 4.089 3.960 0.001 0.000 0.681 250 G C 0.018 174.782 174.900 -0.227 0.000 1.567 250 G CA 0.082 44.923 45.100 -0.431 0.000 1.013 250 G HN 0.856 nan 8.290 nan 0.000 0.580 251 T N 0.634 115.096 114.554 -0.153 0.000 2.605 251 T HA 0.441 4.792 4.350 0.001 0.000 0.216 251 T C 0.645 175.324 174.700 -0.034 0.000 0.812 251 T CA -0.025 62.027 62.100 -0.080 0.000 1.352 251 T CB 0.470 69.299 68.868 -0.066 0.000 1.694 251 T HN 0.621 nan 8.240 nan 0.000 0.440 252 K N 3.176 123.568 120.400 -0.013 0.000 3.233 252 K HA 0.145 4.466 4.320 0.001 0.000 0.283 252 K C -0.407 176.211 176.600 0.030 0.000 1.209 252 K CA 0.331 56.623 56.287 0.007 0.000 1.197 252 K CB -1.191 31.313 32.500 0.008 0.000 1.431 252 K HN 0.793 nan 8.250 nan 0.000 0.326 253 E N -2.888 117.337 120.200 0.041 0.000 2.437 253 E HA 0.233 4.584 4.350 0.001 0.000 0.281 253 E C 0.178 176.860 176.600 0.137 0.000 1.294 253 E CA -0.403 56.053 56.400 0.093 0.000 1.032 253 E CB -0.603 29.166 29.700 0.115 0.000 1.394 253 E HN 0.013 nan 8.360 nan 0.000 0.384 254 G N -0.285 108.681 108.800 0.276 0.000 2.278 254 G HA2 -0.268 3.693 3.960 0.001 0.000 0.210 254 G HA3 -0.268 3.693 3.960 0.001 0.000 0.210 254 G C 0.820 175.932 174.900 0.352 0.000 1.000 254 G CA 0.721 46.143 45.100 0.538 0.000 0.635 254 G HN 1.811 nan 8.290 nan 0.000 0.495 255 T N -0.800 113.863 114.554 0.182 0.000 5.060 255 T HA -0.299 4.051 4.350 0.001 0.000 0.309 255 T C 0.975 175.748 174.700 0.121 0.000 1.248 255 T CA 2.310 64.487 62.100 0.127 0.000 2.322 255 T CB -2.112 66.829 68.868 0.121 0.000 1.982 255 T HN 1.830 nan 8.240 nan 0.000 0.955 256 E N -1.044 119.227 120.200 0.118 0.000 3.991 256 E HA -0.238 4.113 4.350 0.001 0.000 0.331 256 E C 0.050 176.725 176.600 0.125 0.000 0.628 256 E CA 1.745 58.188 56.400 0.071 0.000 1.192 256 E CB -1.490 28.234 29.700 0.039 0.000 1.683 256 E HN 0.922 nan 8.360 nan 0.000 0.416 257 E N 3.129 123.448 120.200 0.199 0.000 2.502 257 E HA 0.027 4.378 4.350 0.001 0.000 0.261 257 E C -1.986 174.790 176.600 0.293 0.000 0.974 257 E CA -0.804 55.720 56.400 0.207 0.000 0.936 257 E CB 0.151 29.969 29.700 0.196 0.000 0.926 257 E HN 0.124 nan 8.360 nan 0.000 0.459 258 P HA -0.104 nan 4.420 nan 0.000 0.271 258 P C -0.585 176.789 177.300 0.124 0.000 1.238 258 P CA 0.092 63.225 63.100 0.055 0.000 0.794 258 P CB 0.624 32.222 31.700 -0.169 0.000 0.959 259 W N 0.630 121.686 121.300 -0.407 0.000 2.433 259 W HA 0.330 4.990 4.660 0.001 0.000 0.315 259 W C -0.616 175.642 176.519 -0.436 0.000 1.087 259 W CA -0.299 56.853 57.345 -0.321 0.000 1.205 259 W CB 1.163 30.538 29.460 -0.142 0.000 1.288 259 W HN 0.352 nan 8.180 nan 0.000 0.504 260 Y N 1.401 121.723 120.300 0.035 0.000 2.429 260 Y HA 0.292 4.843 4.550 0.001 0.000 0.342 260 Y C 0.354 176.269 175.900 0.025 0.000 1.004 260 Y CA -1.201 56.935 58.100 0.060 0.000 1.075 260 Y CB 1.460 39.956 38.460 0.060 0.000 1.214 260 Y HN -0.094 nan 8.280 nan 0.000 0.455 261 V N 4.034 124.100 119.914 0.254 0.000 2.470 261 V HA -0.013 4.108 4.120 0.001 0.000 0.276 261 V C 0.475 176.643 176.094 0.123 0.000 1.040 261 V CA 0.096 62.492 62.300 0.160 0.000 1.008 261 V CB 0.716 32.643 31.823 0.174 0.000 0.990 261 V HN 0.832 nan 8.190 nan 0.000 0.477 262 V N 3.077 123.039 119.914 0.081 0.000 3.431 262 V HA 0.203 4.324 4.120 0.001 0.000 0.253 262 V C 0.511 176.639 176.094 0.055 0.000 1.184 262 V CA 1.075 63.417 62.300 0.071 0.000 1.104 262 V CB 0.177 32.050 31.823 0.082 0.000 0.799 262 V HN 1.044 nan 8.190 nan 0.000 0.462 263 D N -0.622 119.807 120.400 0.049 0.000 2.725 263 D HA 0.308 4.949 4.640 0.001 0.000 0.292 263 D C -1.691 174.626 176.300 0.028 0.000 1.288 263 D CA -0.455 53.569 54.000 0.039 0.000 0.784 263 D CB 2.020 42.841 40.800 0.036 0.000 1.308 263 D HN 0.080 nan 8.370 nan 0.000 0.429 264 K N 1.040 121.454 120.400 0.025 0.000 2.507 264 K HA 0.285 4.606 4.320 0.001 0.000 0.251 264 K C -1.396 175.218 176.600 0.024 0.000 0.943 264 K CA -0.813 55.480 56.287 0.010 0.000 0.794 264 K CB 2.180 34.685 32.500 0.008 0.000 1.188 264 K HN 0.124 nan 8.250 nan 0.000 0.428 265 D N 3.633 124.054 120.400 0.034 0.000 2.493 265 D HA 0.097 4.738 4.640 0.001 0.000 0.235 265 D C 0.783 177.110 176.300 0.045 0.000 1.117 265 D CA -0.478 53.546 54.000 0.040 0.000 0.930 265 D CB 1.013 41.840 40.800 0.045 0.000 1.010 265 D HN 0.242 nan 8.370 nan 0.000 0.514 266 V N 3.388 123.325 119.914 0.039 0.000 2.568 266 V HA -0.198 3.923 4.120 0.001 0.000 0.253 266 V C 2.273 178.391 176.094 0.039 0.000 1.072 266 V CA 1.339 63.664 62.300 0.042 0.000 1.084 266 V CB -0.272 31.576 31.823 0.042 0.000 0.676 266 V HN 0.500 nan 8.190 nan 0.000 0.469 267 E N 0.856 121.076 120.200 0.033 0.000 2.023 267 E HA -0.174 4.177 4.350 0.001 0.000 0.196 267 E C 1.519 178.134 176.600 0.026 0.000 1.003 267 E CA 1.377 57.793 56.400 0.027 0.000 0.809 267 E CB -0.379 29.334 29.700 0.023 0.000 0.755 267 E HN 0.638 nan 8.360 nan 0.000 0.449 268 N N 0.686 119.403 118.700 0.029 0.000 2.235 268 N HA 0.044 4.784 4.740 0.001 0.000 0.209 268 N C -0.597 174.933 175.510 0.034 0.000 1.122 268 N CA -0.060 53.004 53.050 0.024 0.000 0.845 268 N CB 0.172 38.670 38.487 0.018 0.000 1.004 268 N HN 0.222 nan 8.380 nan 0.000 0.499 269 N N 0.937 119.673 118.700 0.059 0.000 2.714 269 N HA -0.181 4.560 4.740 0.001 0.000 0.252 269 N C -1.007 174.621 175.510 0.197 0.000 1.014 269 N CA 0.368 53.486 53.050 0.113 0.000 0.735 269 N CB -0.865 37.668 38.487 0.076 0.000 0.924 269 N HN 0.361 nan 8.380 nan 0.000 0.540 270 I N 1.018 121.702 120.570 0.190 0.000 2.474 270 I HA 0.372 4.542 4.170 0.001 0.000 0.294 270 I C -0.123 176.130 176.117 0.226 0.000 1.005 270 I CA -0.712 60.713 61.300 0.208 0.000 1.113 270 I CB 2.103 40.145 38.000 0.071 0.000 1.289 270 I HN 0.043 nan 8.210 nan 0.000 0.436 271 L N 7.214 128.626 121.223 0.314 0.000 2.280 271 L HA 0.522 4.863 4.340 0.001 0.000 0.287 271 L C -0.692 176.230 176.870 0.086 0.000 1.023 271 L CA -0.604 54.282 54.840 0.077 0.000 0.819 271 L CB 1.374 43.328 42.059 -0.174 0.000 1.212 271 L HN 0.308 nan 8.230 nan 0.000 0.420 272 V N 5.480 125.426 119.914 0.053 0.000 2.732 272 V HA 0.425 4.546 4.120 0.001 0.000 0.297 272 V C 0.197 176.318 176.094 0.046 0.000 1.060 272 V CA -0.302 62.029 62.300 0.052 0.000 1.038 272 V CB 1.496 33.345 31.823 0.043 0.000 1.003 272 V HN 0.635 nan 8.190 nan 0.000 0.481 273 V N 0.773 120.704 119.914 0.030 0.000 3.160 273 V HA 1.103 5.224 4.120 0.001 0.000 0.310 273 V C -0.230 175.733 176.094 -0.218 0.000 1.181 273 V CA -0.274 62.015 62.300 -0.019 0.000 1.047 273 V CB 1.504 33.387 31.823 0.100 0.000 1.068 273 V HN 1.196 nan 8.190 nan 0.000 0.441 274 A N 1.018 123.565 122.820 -0.454 0.000 2.701 274 A HA 1.005 5.326 4.320 0.001 0.000 0.290 274 A C -1.805 174.993 177.584 -1.310 0.000 1.267 274 A CA -0.597 50.939 52.037 -0.835 0.000 0.709 274 A CB 1.717 20.293 19.000 -0.707 0.000 1.352 274 A HN 1.294 nan 8.150 nan 0.000 0.519 275 Q N -0.749 118.394 119.800 -1.095 0.000 2.275 275 Q HA 0.592 4.933 4.340 0.001 0.000 0.258 275 Q C -0.453 175.422 176.000 -0.208 0.000 0.960 275 Q CA -0.060 55.216 55.803 -0.878 0.000 0.801 275 Q CB 1.201 29.191 28.738 -1.246 0.000 1.302 275 Q HN 2.514 nan 8.270 nan 0.000 0.433 276 G N 1.195 110.080 108.800 0.142 0.000 3.445 276 G HA2 -0.167 3.794 3.960 0.001 0.000 0.686 276 G HA3 -0.167 3.794 3.960 0.001 0.000 0.686 276 G C -0.233 174.870 174.900 0.338 0.000 1.113 276 G CA -0.501 44.764 45.100 0.275 0.000 0.974 276 G HN 0.800 nan 8.290 nan 0.000 0.492 277 H N 0.741 119.938 119.070 0.211 0.000 2.561 277 H HA -0.005 4.552 4.556 0.001 0.000 0.289 277 H C 1.894 177.125 175.328 -0.162 0.000 1.054 277 H CA 1.960 57.803 56.048 -0.342 0.000 1.210 277 H CB 0.527 30.108 29.762 -0.301 0.000 1.353 277 H HN 0.524 nan 8.280 nan 0.000 0.601 278 E N -0.904 119.303 120.200 0.011 0.000 2.583 278 E HA -0.009 4.342 4.350 0.001 0.000 0.213 278 E C -0.236 176.367 176.600 0.005 0.000 0.989 278 E CA -0.239 56.146 56.400 -0.026 0.000 0.991 278 E CB -0.183 29.528 29.700 0.017 0.000 1.040 278 E HN 0.481 nan 8.360 nan 0.000 0.481 279 H N 3.401 122.431 119.070 -0.066 0.000 3.064 279 H HA -0.025 4.532 4.556 0.001 0.000 0.329 279 H C -1.290 173.998 175.328 -0.067 0.000 1.020 279 H CA -0.804 55.208 56.048 -0.061 0.000 1.402 279 H CB 1.005 30.726 29.762 -0.067 0.000 1.379 279 H HN -0.115 nan 8.280 nan 0.000 0.594 280 P HA -0.121 nan 4.420 nan 0.000 0.230 280 P C 0.970 178.072 177.300 -0.329 0.000 1.158 280 P CA 0.844 63.727 63.100 -0.362 0.000 0.769 280 P CB 0.457 31.971 31.700 -0.311 0.000 0.807 281 R N -0.827 119.399 120.500 -0.456 0.000 2.297 281 R HA 0.154 4.495 4.340 0.001 0.000 0.197 281 R C 1.847 178.139 176.300 -0.013 0.000 0.943 281 R CA 0.121 56.148 56.100 -0.123 0.000 1.038 281 R CB -0.879 29.455 30.300 0.057 0.000 0.957 281 R HN 0.259 nan 8.270 nan 0.000 0.484 282 L N -0.207 120.998 121.223 -0.030 0.000 2.463 282 L HA 0.215 4.556 4.340 0.001 0.000 0.219 282 L C 0.421 177.248 176.870 -0.072 0.000 1.088 282 L CA 0.675 55.491 54.840 -0.040 0.000 0.849 282 L CB 0.196 42.204 42.059 -0.086 0.000 1.012 282 L HN -0.096 nan 8.230 nan 0.000 0.468 283 M N -0.240 119.312 119.600 -0.079 0.000 2.250 283 M HA 0.335 4.816 4.480 0.001 0.000 0.344 283 M C -0.020 176.279 176.300 -0.001 0.000 1.150 283 M CA 0.232 55.502 55.300 -0.051 0.000 1.147 283 M CB 0.928 33.489 32.600 -0.064 0.000 1.498 283 M HN 0.014 nan 8.290 nan 0.000 0.461 284 S N 0.708 116.449 115.700 0.068 0.000 2.588 284 S HA 0.612 5.083 4.470 0.001 0.000 0.275 284 S C 0.572 175.279 174.600 0.178 0.000 1.130 284 S CA -0.903 57.358 58.200 0.101 0.000 0.855 284 S CB 2.083 65.365 63.200 0.136 0.000 1.116 284 S HN 0.559 nan 8.310 nan 0.000 0.472 285 V N -1.601 118.334 119.914 0.036 0.000 3.528 285 V HA 0.712 4.833 4.120 0.001 0.000 0.294 285 V C 0.738 176.549 176.094 -0.473 0.000 1.404 285 V CA 0.597 62.885 62.300 -0.021 0.000 1.065 285 V CB -0.455 31.347 31.823 -0.034 0.000 0.904 285 V HN 1.073 nan 8.190 nan 0.000 0.435 286 G N 0.592 108.958 108.800 -0.723 0.000 2.341 286 G HA2 0.636 4.597 3.960 0.001 0.000 0.299 286 G HA3 0.636 4.597 3.960 0.001 0.000 0.299 286 G C -1.848 172.720 174.900 -0.553 0.000 1.274 286 G CA -0.081 44.369 45.100 -1.084 0.000 0.853 286 G HN 0.908 nan 8.290 nan 0.000 0.493 287 L N -2.989 118.040 121.223 -0.324 0.000 2.838 287 L HA 0.921 5.262 4.340 0.001 0.000 0.266 287 L C -1.714 175.142 176.870 -0.024 0.000 1.040 287 L CA -1.055 53.730 54.840 -0.091 0.000 0.906 287 L CB 1.502 43.574 42.059 0.022 0.000 1.501 287 L HN 0.530 nan 8.230 nan 0.000 0.407 288 I N 1.289 121.868 120.570 0.015 0.000 2.447 288 I HA 0.861 5.032 4.170 0.001 0.000 0.287 288 I C -0.094 176.056 176.117 0.056 0.000 1.023 288 I CA -0.194 61.128 61.300 0.037 0.000 1.083 288 I CB 1.802 39.815 38.000 0.020 0.000 1.245 288 I HN 0.948 nan 8.210 nan 0.000 0.434 289 A N 6.058 128.931 122.820 0.087 0.000 2.337 289 A HA 0.954 5.275 4.320 0.001 0.000 0.331 289 A C -0.641 176.976 177.584 0.056 0.000 1.137 289 A CA -0.392 51.693 52.037 0.080 0.000 0.807 289 A CB 1.444 20.524 19.000 0.132 0.000 1.250 289 A HN 0.681 nan 8.150 nan 0.000 0.468 290 Q N -0.560 119.255 119.800 0.026 0.000 2.831 290 Q HA 0.486 4.826 4.340 0.001 0.000 0.322 290 Q C -1.170 174.814 176.000 -0.027 0.000 0.923 290 Q CA -1.009 54.794 55.803 -0.001 0.000 0.767 290 Q CB 1.351 30.091 28.738 0.003 0.000 1.469 290 Q HN 0.749 nan 8.270 nan 0.000 0.496 291 Q N 0.505 120.266 119.800 -0.065 0.000 2.460 291 Q HA -0.194 4.146 4.340 0.001 0.000 0.311 291 Q C -0.992 174.888 176.000 -0.200 0.000 1.396 291 Q CA 0.205 55.951 55.803 -0.094 0.000 0.838 291 Q CB -1.743 27.014 28.738 0.032 0.000 1.140 291 Q HN 0.371 nan 8.270 nan 0.000 0.415 292 L N 1.030 122.043 121.223 -0.351 0.000 2.417 292 L HA 0.345 4.686 4.340 0.001 0.000 0.268 292 L C 0.632 176.966 176.870 -0.893 0.000 1.158 292 L CA -0.153 54.369 54.840 -0.529 0.000 0.819 292 L CB 0.592 42.355 42.059 -0.493 0.000 1.112 292 L HN 0.215 nan 8.230 nan 0.000 0.458 293 H N 1.989 120.683 119.070 -0.627 0.000 3.181 293 H HA 0.187 4.744 4.556 0.001 0.000 0.331 293 H C -1.659 173.397 175.328 -0.453 0.000 0.988 293 H CA -0.542 55.242 56.048 -0.440 0.000 1.449 293 H CB 0.972 30.552 29.762 -0.305 0.000 1.749 293 H HN 0.591 nan 8.280 nan 0.000 0.501 294 W N 3.707 125.074 121.300 0.112 0.000 2.296 294 W HA 0.240 4.901 4.660 0.001 0.000 0.316 294 W C 1.667 178.233 176.519 0.079 0.000 1.022 294 W CA -1.041 56.345 57.345 0.069 0.000 1.324 294 W CB 1.234 30.707 29.460 0.021 0.000 1.227 294 W HN 0.483 nan 8.180 nan 0.000 0.409 295 V N -0.054 120.029 119.914 0.282 0.000 2.481 295 V HA -0.372 3.749 4.120 0.001 0.000 0.263 295 V C 1.267 177.537 176.094 0.294 0.000 1.108 295 V CA 2.463 64.894 62.300 0.219 0.000 1.113 295 V CB -0.539 31.378 31.823 0.158 0.000 0.684 295 V HN 0.689 nan 8.190 nan 0.000 0.467 296 D N -0.739 119.795 120.400 0.223 0.000 2.395 296 D HA 0.055 4.696 4.640 0.001 0.000 0.226 296 D C 1.172 177.558 176.300 0.143 0.000 1.146 296 D CA -0.494 53.551 54.000 0.075 0.000 0.830 296 D CB -0.467 40.315 40.800 -0.031 0.000 0.958 296 D HN 0.424 nan 8.370 nan 0.000 0.501 297 R N -0.635 120.039 120.500 0.289 0.000 3.758 297 R HA -0.246 4.095 4.340 0.001 0.000 0.266 297 R C -0.498 175.918 176.300 0.192 0.000 1.158 297 R CA 0.869 57.124 56.100 0.257 0.000 0.764 297 R CB -2.255 28.218 30.300 0.288 0.000 1.116 297 R HN 0.395 nan 8.270 nan 0.000 0.506 298 E N 1.479 121.776 120.200 0.163 0.000 2.146 298 E HA 0.267 4.618 4.350 0.001 0.000 0.282 298 E C -2.045 174.634 176.600 0.132 0.000 0.989 298 E CA -2.323 54.134 56.400 0.096 0.000 0.799 298 E CB 0.838 30.548 29.700 0.017 0.000 1.088 298 E HN -0.003 nan 8.360 nan 0.000 0.397 299 P HA -0.080 nan 4.420 nan 0.000 0.265 299 P C -0.681 176.689 177.300 0.116 0.000 1.187 299 P CA -0.028 63.171 63.100 0.165 0.000 0.766 299 P CB 0.300 32.053 31.700 0.087 0.000 0.820 300 F N 3.232 123.173 119.950 -0.015 0.000 2.410 300 F HA 0.466 4.994 4.527 0.001 0.000 0.349 300 F C -0.471 175.278 175.800 -0.086 0.000 1.117 300 F CA 0.014 57.908 58.000 -0.177 0.000 1.104 300 F CB 1.031 39.839 39.000 -0.321 0.000 1.122 300 F HN 0.198 nan 8.300 nan 0.000 0.483 301 T N 4.343 118.394 114.554 -0.837 0.000 2.909 301 T HA 0.729 5.080 4.350 0.001 0.000 0.299 301 T C -0.120 174.069 174.700 -0.852 0.000 1.073 301 T CA -0.031 61.602 62.100 -0.780 0.000 0.999 301 T CB 1.317 69.977 68.868 -0.348 0.000 1.098 301 T HN 1.206 nan 8.240 nan 0.000 0.477 302 G N 1.961 110.378 108.800 -0.639 0.000 2.484 302 G HA2 -0.040 3.921 3.960 0.001 0.000 0.225 302 G HA3 -0.040 3.921 3.960 0.001 0.000 0.225 302 G C -0.609 174.110 174.900 -0.302 0.000 1.250 302 G CA -0.227 44.647 45.100 -0.376 0.000 0.926 302 G HN 0.984 nan 8.290 nan 0.000 0.581 303 T N 0.938 115.450 114.554 -0.070 0.000 2.893 303 T HA 0.713 5.064 4.350 0.001 0.000 0.291 303 T C 0.154 174.947 174.700 0.156 0.000 1.028 303 T CA 0.338 62.493 62.100 0.092 0.000 0.995 303 T CB 1.552 70.440 68.868 0.033 0.000 1.051 303 T HN 1.324 nan 8.240 nan 0.000 0.470 304 M N 0.686 120.388 119.600 0.170 0.000 2.484 304 M HA 0.788 5.268 4.480 0.001 0.000 0.289 304 M C -1.207 175.100 176.300 0.012 0.000 1.206 304 M CA -1.057 54.273 55.300 0.051 0.000 0.892 304 M CB 2.431 34.995 32.600 -0.060 0.000 1.712 304 M HN 0.314 nan 8.290 nan 0.000 0.462 305 R N 2.036 122.543 120.500 0.010 0.000 2.229 305 R HA 0.750 5.091 4.340 0.001 0.000 0.332 305 R C -0.857 175.462 176.300 0.031 0.000 0.989 305 R CA 0.037 56.155 56.100 0.031 0.000 0.842 305 R CB 0.772 31.091 30.300 0.032 0.000 1.119 305 R HN 1.035 nan 8.270 nan 0.000 0.456 306 C N -0.597 118.744 119.300 0.068 0.000 3.174 306 C HA 0.773 5.234 4.460 0.001 0.000 0.367 306 C C -0.813 174.275 174.990 0.165 0.000 3.462 306 C CA -0.619 58.461 59.018 0.102 0.000 1.281 306 C CB 1.403 29.194 27.740 0.085 0.000 3.899 306 C HN 0.651 nan 8.230 nan 0.000 0.452 307 T N 0.347 115.035 114.554 0.223 0.000 2.906 307 T HA 0.768 5.119 4.350 0.001 0.000 0.295 307 T C -0.664 174.176 174.700 0.233 0.000 1.075 307 T CA -0.356 61.869 62.100 0.209 0.000 1.005 307 T CB 1.587 70.558 68.868 0.172 0.000 1.136 307 T HN 1.093 nan 8.240 nan 0.000 0.498 308 V N 0.491 120.474 119.914 0.116 0.000 3.158 308 V HA 0.727 4.848 4.120 0.001 0.000 0.311 308 V C -0.908 175.175 176.094 -0.018 0.000 1.181 308 V CA -1.206 61.057 62.300 -0.061 0.000 1.054 308 V CB 2.149 33.876 31.823 -0.161 0.000 1.085 308 V HN 0.780 nan 8.190 nan 0.000 0.446 309 K N 0.092 120.457 120.400 -0.058 0.000 2.615 309 K HA 0.418 4.739 4.320 0.001 0.000 0.249 309 K C -0.100 176.530 176.600 0.049 0.000 0.977 309 K CA -0.410 55.909 56.287 0.052 0.000 0.833 309 K CB 2.137 34.816 32.500 0.299 0.000 1.208 309 K HN 0.755 nan 8.250 nan 0.000 0.443 310 T N 1.503 116.040 114.554 -0.028 0.000 2.937 310 T HA 0.051 4.402 4.350 0.001 0.000 0.260 310 T C 0.459 175.188 174.700 0.049 0.000 1.051 310 T CA 0.935 63.031 62.100 -0.006 0.000 1.141 310 T CB 0.160 68.998 68.868 -0.049 0.000 0.879 310 T HN 0.343 nan 8.240 nan 0.000 0.459 311 R N -0.413 120.044 120.500 -0.072 0.000 2.771 311 R HA 0.399 4.739 4.340 0.001 0.000 0.274 311 R C -1.220 174.747 176.300 -0.554 0.000 0.987 311 R CA -0.899 55.078 56.100 -0.204 0.000 0.908 311 R CB 1.718 31.952 30.300 -0.109 0.000 1.213 311 R HN 0.305 nan 8.270 nan 0.000 0.468 312 Y N 2.304 121.985 120.300 -1.031 0.000 2.788 312 Y HA -0.218 4.333 4.550 0.002 0.000 0.341 312 Y C 0.696 176.395 175.900 -0.334 0.000 1.258 312 Y CA 0.547 58.108 58.100 -0.898 0.000 1.503 312 Y CB 0.483 38.713 38.460 -0.382 0.000 1.325 312 Y HN 0.646 nan 8.280 nan 0.000 0.614 313 R N 0.813 120.874 120.500 -0.732 0.000 3.953 313 R HA -0.312 4.029 4.340 0.001 0.000 0.448 313 R C -0.058 176.047 176.300 -0.325 0.000 1.016 313 R CA 1.405 57.126 56.100 -0.632 0.000 1.398 313 R CB -1.754 28.099 30.300 -0.744 0.000 2.021 313 R HN 0.899 nan 8.270 nan 0.000 0.538 314 Q N 2.124 121.763 119.800 -0.268 0.000 2.313 314 Q HA 0.127 4.468 4.340 0.001 0.000 0.266 314 Q C -0.597 175.315 176.000 -0.147 0.000 0.989 314 Q CA 0.350 56.042 55.803 -0.185 0.000 0.890 314 Q CB 0.761 29.398 28.738 -0.168 0.000 1.200 314 Q HN 0.109 nan 8.270 nan 0.000 0.396 315 T N 4.282 118.758 114.554 -0.131 0.000 2.946 315 T HA -0.057 4.294 4.350 0.001 0.000 0.312 315 T C -0.406 174.234 174.700 -0.101 0.000 1.066 315 T CA -0.050 61.984 62.100 -0.110 0.000 1.138 315 T CB 0.213 69.024 68.868 -0.096 0.000 1.014 315 T HN 0.608 nan 8.240 nan 0.000 0.544 316 D N 1.758 122.107 120.400 -0.086 0.000 2.488 316 D HA 0.176 4.817 4.640 0.001 0.000 0.238 316 D C 0.229 176.497 176.300 -0.053 0.000 1.138 316 D CA 0.416 54.384 54.000 -0.053 0.000 0.873 316 D CB 0.212 40.985 40.800 -0.045 0.000 1.183 316 D HN 0.402 nan 8.370 nan 0.000 0.458 317 I N 1.100 121.642 120.570 -0.046 0.000 2.411 317 I HA 0.407 4.578 4.170 0.001 0.000 0.284 317 I C -2.500 173.633 176.117 0.027 0.000 1.012 317 I CA -2.380 58.880 61.300 -0.066 0.000 1.119 317 I CB 1.863 39.733 38.000 -0.216 0.000 1.261 317 I HN 0.086 nan 8.210 nan 0.000 0.448 318 P HA 0.100 nan 4.420 nan 0.000 0.268 318 P C -0.364 177.022 177.300 0.143 0.000 1.208 318 P CA 0.159 63.312 63.100 0.088 0.000 0.777 318 P CB 1.230 32.967 31.700 0.062 0.000 0.875 319 C N -1.117 118.280 119.300 0.162 0.000 3.253 319 C HA 0.682 5.143 4.460 0.001 0.000 0.362 319 C C -0.873 174.203 174.990 0.143 0.000 1.487 319 C CA -0.555 58.581 59.018 0.197 0.000 1.179 319 C CB 0.936 28.863 27.740 0.312 0.000 1.660 319 C HN 0.527 nan 8.230 nan 0.000 0.438 320 T N 1.353 115.983 114.554 0.126 0.000 2.840 320 T HA 0.603 4.954 4.350 0.001 0.000 0.287 320 T C -0.710 174.041 174.700 0.086 0.000 0.991 320 T CA -0.291 61.860 62.100 0.085 0.000 0.964 320 T CB 1.343 70.247 68.868 0.060 0.000 0.954 320 T HN 0.830 nan 8.240 nan 0.000 0.438 321 V N 4.129 124.082 119.914 0.065 0.000 2.311 321 V HA 0.402 4.523 4.120 0.001 0.000 0.275 321 V C 0.340 176.551 176.094 0.194 0.000 1.022 321 V CA -0.804 61.529 62.300 0.055 0.000 0.830 321 V CB 0.880 32.576 31.823 -0.212 0.000 1.012 321 V HN 0.691 nan 8.190 nan 0.000 0.452 322 K N 3.600 124.094 120.400 0.156 0.000 2.248 322 K HA 0.620 4.941 4.320 0.001 0.000 0.281 322 K C 0.418 177.098 176.600 0.133 0.000 1.054 322 K CA -0.492 55.865 56.287 0.117 0.000 0.903 322 K CB 1.147 33.671 32.500 0.040 0.000 1.077 322 K HN 0.797 nan 8.250 nan 0.000 0.474 323 A N 5.590 128.388 122.820 -0.036 0.000 2.639 323 A HA -0.000 4.321 4.320 0.001 0.000 0.295 323 A C 0.995 178.532 177.584 -0.078 0.000 1.443 323 A CA -0.144 51.797 52.037 -0.159 0.000 1.117 323 A CB -0.289 18.251 19.000 -0.766 0.000 1.098 323 A HN 0.901 nan 8.150 nan 0.000 0.552 324 L N 1.647 122.880 121.223 0.017 0.000 1.989 324 L HA -0.027 4.314 4.340 0.001 0.000 0.211 324 L C 0.697 177.557 176.870 -0.018 0.000 1.071 324 L CA 2.156 56.997 54.840 0.002 0.000 0.749 324 L CB -0.197 41.878 42.059 0.025 0.000 0.890 324 L HN 0.775 nan 8.230 nan 0.000 0.431 325 D N -4.144 116.254 120.400 -0.003 0.000 3.010 325 D HA 0.032 4.673 4.640 0.001 0.000 0.353 325 D C 0.265 176.570 176.300 0.008 0.000 1.415 325 D CA 0.202 54.194 54.000 -0.013 0.000 0.864 325 D CB 0.222 41.017 40.800 -0.009 0.000 1.445 325 D HN -0.154 nan 8.370 nan 0.000 0.516 326 D N 0.469 120.870 120.400 0.001 0.000 3.523 326 D HA -0.274 4.366 4.640 0.001 0.000 0.258 326 D C 0.856 177.177 176.300 0.035 0.000 1.189 326 D CA 2.334 56.340 54.000 0.011 0.000 0.935 326 D CB -0.083 40.719 40.800 0.003 0.000 1.003 326 D HN 0.381 nan 8.370 nan 0.000 0.545 327 D N -1.739 118.680 120.400 0.030 0.000 2.525 327 D HA 0.071 4.712 4.640 0.001 0.000 0.231 327 D C -0.501 175.825 176.300 0.042 0.000 1.216 327 D CA -0.251 53.766 54.000 0.028 0.000 0.813 327 D CB 0.532 41.323 40.800 -0.015 0.000 1.108 327 D HN -0.071 nan 8.370 nan 0.000 0.524 328 R N 0.713 121.242 120.500 0.050 0.000 2.357 328 R HA 0.476 4.817 4.340 0.001 0.000 0.296 328 R C -0.688 175.671 176.300 0.098 0.000 1.052 328 R CA -0.615 55.518 56.100 0.055 0.000 0.988 328 R CB 1.663 31.983 30.300 0.033 0.000 1.025 328 R HN 0.171 nan 8.270 nan 0.000 0.469 329 I N 0.437 121.075 120.570 0.114 0.000 2.769 329 I HA 0.206 4.377 4.170 0.001 0.000 0.298 329 I C -0.896 175.292 176.117 0.119 0.000 1.128 329 I CA -0.801 60.596 61.300 0.163 0.000 1.031 329 I CB 2.249 40.384 38.000 0.225 0.000 1.235 329 I HN 0.581 nan 8.210 nan 0.000 0.423 330 E N 6.416 126.681 120.200 0.109 0.000 2.186 330 E HA 0.518 4.869 4.350 0.001 0.000 0.255 330 E C -1.753 174.888 176.600 0.067 0.000 0.881 330 E CA -0.604 55.834 56.400 0.063 0.000 0.752 330 E CB 1.363 31.080 29.700 0.029 0.000 1.176 330 E HN 0.495 nan 8.360 nan 0.000 0.421 331 V N 6.067 126.021 119.914 0.067 0.000 2.509 331 V HA 0.383 4.503 4.120 0.001 0.000 0.284 331 V C 0.271 176.293 176.094 -0.120 0.000 1.047 331 V CA -0.401 61.950 62.300 0.085 0.000 0.952 331 V CB 1.217 33.184 31.823 0.240 0.000 0.988 331 V HN 0.627 nan 8.190 nan 0.000 0.469 332 I N 4.786 125.317 120.570 -0.065 0.000 2.476 332 I HA 0.385 4.556 4.170 0.001 0.000 0.281 332 I C -0.120 175.997 176.117 0.000 0.000 1.040 332 I CA -0.197 61.008 61.300 -0.158 0.000 1.094 332 I CB 0.997 38.958 38.000 -0.065 0.000 1.219 332 I HN 0.460 nan 8.210 nan 0.000 0.450 333 F N 3.693 123.671 119.950 0.046 0.000 2.587 333 F HA -0.023 4.505 4.527 0.001 0.000 0.327 333 F C 1.274 177.089 175.800 0.026 0.000 1.232 333 F CA -0.190 57.831 58.000 0.034 0.000 1.353 333 F CB 0.623 39.633 39.000 0.015 0.000 1.156 333 F HN 0.492 nan 8.300 nan 0.000 0.599 334 D N -0.733 119.813 120.400 0.244 0.000 2.338 334 D HA 0.061 4.702 4.640 0.001 0.000 0.208 334 D C 0.015 176.378 176.300 0.105 0.000 0.997 334 D CA 0.937 55.014 54.000 0.129 0.000 0.880 334 D CB 0.266 41.119 40.800 0.088 0.000 0.980 334 D HN 0.349 nan 8.370 nan 0.000 0.509 335 E N 0.405 120.678 120.200 0.122 0.000 2.331 335 E HA 0.351 4.702 4.350 0.001 0.000 0.275 335 E C -2.648 174.016 176.600 0.108 0.000 0.895 335 E CA -2.051 54.393 56.400 0.074 0.000 0.753 335 E CB 2.024 31.735 29.700 0.018 0.000 1.216 335 E HN -0.164 nan 8.360 nan 0.000 0.434 336 P HA -0.025 nan 4.420 nan 0.000 0.264 336 P C -0.443 176.873 177.300 0.028 0.000 1.179 336 P CA 0.161 63.333 63.100 0.121 0.000 0.763 336 P CB 0.513 32.241 31.700 0.046 0.000 0.806 337 V N 2.249 122.180 119.914 0.029 0.000 2.975 337 V HA 0.541 4.662 4.120 0.001 0.000 0.318 337 V C 1.051 177.075 176.094 -0.116 0.000 1.077 337 V CA -0.298 61.894 62.300 -0.180 0.000 1.000 337 V CB 1.359 32.838 31.823 -0.573 0.000 1.066 337 V HN 0.721 nan 8.190 nan 0.000 0.452 338 A N 2.088 124.805 122.820 -0.172 0.000 3.343 338 A HA 0.377 4.698 4.320 0.001 0.000 0.151 338 A C 1.129 178.626 177.584 -0.145 0.000 0.831 338 A CA 0.973 52.889 52.037 -0.200 0.000 1.197 338 A CB -0.826 18.041 19.000 -0.220 0.000 0.961 338 A HN 1.433 nan 8.150 nan 0.000 0.538 339 A N -0.340 122.397 122.820 -0.137 0.000 2.807 339 A HA 0.508 4.829 4.320 0.001 0.000 0.307 339 A C -0.155 177.418 177.584 -0.019 0.000 1.532 339 A CA -0.320 51.677 52.037 -0.068 0.000 1.215 339 A CB -0.816 18.152 19.000 -0.053 0.000 1.127 339 A HN 0.583 nan 8.150 nan 0.000 0.543 340 V N 2.804 122.729 119.914 0.020 0.000 2.521 340 V HA 0.182 4.303 4.120 0.001 0.000 0.286 340 V C 0.570 176.693 176.094 0.047 0.000 1.034 340 V CA 0.612 62.950 62.300 0.064 0.000 1.045 340 V CB 1.081 32.994 31.823 0.151 0.000 0.974 340 V HN 0.771 nan 8.190 nan 0.000 0.480 341 T N 8.349 122.927 114.554 0.041 0.000 2.864 341 T HA 0.328 4.678 4.350 0.001 0.000 0.310 341 T C -2.560 172.159 174.700 0.032 0.000 1.040 341 T CA -1.079 61.043 62.100 0.037 0.000 0.977 341 T CB 1.456 70.347 68.868 0.038 0.000 0.976 341 T HN 0.495 nan 8.240 nan 0.000 0.459 342 P HA 0.188 nan 4.420 nan 0.000 0.262 342 P C 0.949 178.254 177.300 0.008 0.000 1.182 342 P CA 0.727 63.840 63.100 0.020 0.000 0.761 342 P CB 0.636 32.348 31.700 0.020 0.000 0.795 343 G N 1.514 110.313 108.800 -0.002 0.000 2.231 343 G HA2 -0.152 3.809 3.960 0.001 0.000 0.206 343 G HA3 -0.152 3.809 3.960 0.001 0.000 0.206 343 G C 0.083 174.971 174.900 -0.020 0.000 0.996 343 G CA -0.406 44.679 45.100 -0.025 0.000 0.645 343 G HN 0.546 nan 8.290 nan 0.000 0.498 344 Q N 0.982 120.781 119.800 -0.001 0.000 2.222 344 Q HA 0.668 5.009 4.340 0.001 0.000 0.252 344 Q C 0.134 176.127 176.000 -0.012 0.000 0.926 344 Q CA -0.130 55.680 55.803 0.011 0.000 0.899 344 Q CB 1.567 30.324 28.738 0.032 0.000 1.250 344 Q HN 0.287 nan 8.270 nan 0.000 0.441 345 S N 0.611 116.291 115.700 -0.034 0.000 2.580 345 S HA 0.548 5.018 4.470 0.001 0.000 0.274 345 S C -0.458 173.969 174.600 -0.289 0.000 1.329 345 S CA -0.583 57.499 58.200 -0.196 0.000 1.036 345 S CB 0.942 63.952 63.200 -0.317 0.000 0.919 345 S HN 0.591 nan 8.310 nan 0.000 0.515 346 A N 2.634 125.182 122.820 -0.454 0.000 2.285 346 A HA 0.623 4.943 4.320 0.001 0.000 0.310 346 A C -0.643 176.428 177.584 -0.856 0.000 1.266 346 A CA -0.610 51.121 52.037 -0.510 0.000 0.832 346 A CB 0.400 19.190 19.000 -0.350 0.000 1.163 346 A HN 0.586 nan 8.150 nan 0.000 0.499 347 V N 3.092 122.532 119.914 -0.790 0.000 2.427 347 V HA 0.502 4.623 4.120 0.001 0.000 0.286 347 V C -0.791 174.892 176.094 -0.686 0.000 1.034 347 V CA -0.207 61.643 62.300 -0.750 0.000 0.893 347 V CB 0.838 32.299 31.823 -0.604 0.000 0.982 347 V HN 0.689 nan 8.190 nan 0.000 0.452 348 F N 4.020 123.801 119.950 -0.283 0.000 2.443 348 F HA 0.674 5.202 4.527 0.001 0.000 0.335 348 F C -0.400 175.209 175.800 -0.318 0.000 1.104 348 F CA -0.734 57.186 58.000 -0.134 0.000 1.013 348 F CB 1.308 40.315 39.000 0.012 0.000 1.136 348 F HN 0.327 nan 8.300 nan 0.000 0.470 349 Y N 1.243 121.663 120.300 0.201 0.000 2.409 349 Y HA 0.335 4.886 4.550 0.002 0.000 0.343 349 Y C 0.029 175.987 175.900 0.096 0.000 0.973 349 Y CA -1.039 57.139 58.100 0.129 0.000 1.064 349 Y CB 1.684 40.199 38.460 0.091 0.000 1.207 349 Y HN 0.492 nan 8.280 nan 0.000 0.452 350 N N 2.264 121.092 118.700 0.213 0.000 2.918 350 N HA 0.386 5.127 4.740 0.001 0.000 0.270 350 N C 0.318 175.899 175.510 0.118 0.000 1.536 350 N CA 0.870 53.994 53.050 0.123 0.000 0.877 350 N CB 0.395 38.914 38.487 0.053 0.000 1.190 350 N HN 1.042 nan 8.380 nan 0.000 0.492 351 G N 2.380 111.255 108.800 0.126 0.000 2.742 351 G HA2 -0.244 3.717 3.960 0.001 0.000 0.255 351 G HA3 -0.244 3.717 3.960 0.001 0.000 0.255 351 G C 0.276 175.236 174.900 0.100 0.000 1.322 351 G CA -0.193 44.959 45.100 0.088 0.000 0.967 351 G HN 0.407 nan 8.290 nan 0.000 0.556 352 E N 0.465 120.719 120.200 0.091 0.000 2.474 352 E HA 0.291 4.642 4.350 0.001 0.000 0.195 352 E C 0.721 177.409 176.600 0.147 0.000 1.039 352 E CA 0.517 56.971 56.400 0.092 0.000 0.881 352 E CB 0.779 30.514 29.700 0.059 0.000 0.970 352 E HN 0.448 nan 8.360 nan 0.000 0.486 353 V N 1.644 121.657 119.914 0.165 0.000 2.364 353 V HA 0.124 4.245 4.120 0.001 0.000 0.272 353 V C 0.383 176.605 176.094 0.212 0.000 1.036 353 V CA -0.985 61.411 62.300 0.160 0.000 0.880 353 V CB 1.211 33.092 31.823 0.098 0.000 0.991 353 V HN 0.141 nan 8.190 nan 0.000 0.460 354 C N 6.721 126.131 119.300 0.183 0.000 2.442 354 C HA 0.404 4.865 4.460 0.001 0.000 0.362 354 C C 1.677 176.673 174.990 0.010 0.000 1.242 354 C CA -0.407 58.605 59.018 -0.010 0.000 1.741 354 C CB -1.307 26.452 27.740 0.031 0.000 2.378 354 C HN 0.957 nan 8.230 nan 0.000 0.549 355 L N 5.600 126.830 121.223 0.012 0.000 2.072 355 L HA 0.291 4.632 4.340 0.001 0.000 0.205 355 L C 1.715 178.801 176.870 0.360 0.000 1.079 355 L CA 1.261 56.189 54.840 0.146 0.000 0.752 355 L CB -0.795 41.321 42.059 0.096 0.000 0.906 355 L HN 0.972 nan 8.230 nan 0.000 0.436 356 G N -1.591 107.410 108.800 0.334 0.000 2.384 356 G HA2 0.389 4.350 3.960 0.001 0.000 0.150 356 G HA3 0.389 4.350 3.960 0.001 0.000 0.150 356 G C -0.543 174.499 174.900 0.238 0.000 1.269 356 G CA -0.206 45.097 45.100 0.338 0.000 1.094 356 G HN 0.562 nan 8.290 nan 0.000 0.467 357 G N -2.150 106.623 108.800 -0.044 0.000 2.352 357 G HA2 0.739 4.700 3.960 0.001 0.000 0.283 357 G HA3 0.739 4.700 3.960 0.001 0.000 0.283 357 G C -0.141 174.690 174.900 -0.115 0.000 1.308 357 G CA 1.038 46.041 45.100 -0.162 0.000 0.892 357 G HN 2.412 nan 8.290 nan 0.000 0.504 358 G N -1.545 107.165 108.800 -0.151 0.000 2.682 358 G HA2 0.640 4.601 3.960 0.001 0.000 0.303 358 G HA3 0.640 4.601 3.960 0.001 0.000 0.303 358 G C -1.246 173.641 174.900 -0.020 0.000 1.341 358 G CA -0.729 44.388 45.100 0.028 0.000 0.784 358 G HN 0.835 nan 8.290 nan 0.000 0.497 359 I N 0.941 121.536 120.570 0.042 0.000 2.365 359 I HA 0.283 4.454 4.170 0.001 0.000 0.291 359 I C 0.077 176.201 176.117 0.011 0.000 1.004 359 I CA -0.476 60.834 61.300 0.017 0.000 1.311 359 I CB 1.516 39.537 38.000 0.035 0.000 1.401 359 I HN 0.201 nan 8.210 nan 0.000 0.491 360 I N 5.981 126.553 120.570 0.004 0.000 2.581 360 I HA -0.052 4.119 4.170 0.001 0.000 0.285 360 I C 1.462 177.591 176.117 0.020 0.000 1.129 360 I CA 0.339 61.652 61.300 0.022 0.000 1.397 360 I CB 0.336 38.352 38.000 0.027 0.000 1.399 360 I HN 0.740 nan 8.210 nan 0.000 0.537 361 E N 5.587 125.801 120.200 0.023 0.000 2.190 361 E HA -0.003 4.348 4.350 0.001 0.000 0.191 361 E C 0.574 177.184 176.600 0.016 0.000 0.978 361 E CA 0.069 56.479 56.400 0.017 0.000 0.839 361 E CB 0.469 30.179 29.700 0.016 0.000 0.787 361 E HN 0.717 nan 8.360 nan 0.000 0.473 362 Q N 0.293 120.104 119.800 0.018 0.000 2.353 362 Q HA 0.259 4.600 4.340 0.001 0.000 0.275 362 Q C -1.577 174.430 176.000 0.010 0.000 1.029 362 Q CA -1.013 54.798 55.803 0.013 0.000 0.848 362 Q CB 1.985 30.727 28.738 0.007 0.000 1.390 362 Q HN 0.144 nan 8.270 nan 0.000 0.401 363 R N 3.460 123.967 120.500 0.011 0.000 2.404 363 R HA 0.451 4.792 4.340 0.001 0.000 0.291 363 R C -1.001 175.290 176.300 -0.016 0.000 1.025 363 R CA -0.347 55.759 56.100 0.010 0.000 0.991 363 R CB 0.726 31.042 30.300 0.027 0.000 1.053 363 R HN 0.648 nan 8.270 nan 0.000 0.479 364 L N 7.226 128.420 121.223 -0.048 0.000 2.314 364 L HA 0.366 4.707 4.340 0.001 0.000 0.275 364 L C -1.858 174.985 176.870 -0.045 0.000 1.068 364 L CA -2.225 52.577 54.840 -0.064 0.000 0.894 364 L CB 1.307 43.295 42.059 -0.118 0.000 1.275 364 L HN 0.547 nan 8.230 nan 0.000 0.432 365 P HA -0.147 nan 4.420 nan 0.000 0.268 365 P C -0.191 177.095 177.300 -0.023 0.000 1.189 365 P CA -0.312 62.778 63.100 -0.017 0.000 0.771 365 P CB 1.013 32.703 31.700 -0.015 0.000 0.822 366 L N 4.776 125.985 121.223 -0.024 0.000 2.456 366 L HA 0.198 4.539 4.340 0.001 0.000 0.272 366 L C -1.643 175.208 176.870 -0.032 0.000 1.189 366 L CA -1.438 53.385 54.840 -0.027 0.000 0.846 366 L CB -0.789 41.245 42.059 -0.043 0.000 1.111 366 L HN 0.342 nan 8.230 nan 0.000 0.475 367 P HA -0.055 nan 4.420 nan 0.000 0.261 367 P C 0.216 177.499 177.300 -0.028 0.000 1.183 367 P CA -0.012 63.074 63.100 -0.024 0.000 0.761 367 P CB 0.579 32.267 31.700 -0.019 0.000 0.785 368 V N 0.000 119.899 119.914 -0.024 0.000 2.409 368 V HA 0.000 4.121 4.120 0.001 0.000 0.244 368 V CA 0.000 62.285 62.300 -0.024 0.000 1.235 368 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556