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 1h7u_1_A DATA FIRST_RESID 31 DATA SEQUENCE VVLSLSTAVK ELVENSLDAG ATNIDLKLKD YGVDLIEVSD NGCGVEEENF DATA SEQUENCE EGLTLKXXXX XXXXXXXXXX XXXXXXXGEA LSSLCALSDV TISTCHASAK DATA SEQUENCE VGTRLMFDHN GKIIQKTPYP RPRGTTVSVQ QLFSTLPVRH KEFQRNIKKE DATA SEQUENCE YAKMVQVLHA YCIISAGIRV SCTNQLGQGK RQPVVCTGGS PSIKENIGSV DATA SEQUENCE FGQKQLQSLI PFVQLPPSDS VCEEYGLSCS DALHNLFYIS GFISQCTHGV DATA SEQUENCE GRSSTDRQFF FINRRPCDPA KVCRLVNEVY HMYNRHQYPF VVLNISVDSE DATA SEQUENCE CVDINXXXXX XQILLQEEKL LLAVLKTSLI GMFD 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 31 V HA 0.000 nan 4.120 nan 0.000 0.244 31 V C 0.000 176.099 176.094 0.009 0.000 1.182 31 V CA 0.000 62.306 62.300 0.010 0.000 1.235 31 V CB 0.000 31.829 31.823 0.010 0.000 1.184 32 V N 5.191 125.120 119.914 0.025 0.000 2.564 32 V HA 0.397 4.517 4.120 -0.000 0.000 0.259 32 V C 0.466 176.634 176.094 0.124 0.000 0.936 32 V CA 0.516 62.836 62.300 0.033 0.000 0.867 32 V CB 1.534 33.345 31.823 -0.019 0.000 1.076 32 V HN 0.896 nan 8.190 nan 0.000 0.476 33 L N 2.098 123.381 121.223 0.100 0.000 2.749 33 L HA 0.649 4.989 4.340 -0.000 0.000 0.242 33 L C 0.603 177.510 176.870 0.061 0.000 1.103 33 L CA 0.520 55.405 54.840 0.075 0.000 0.906 33 L CB 1.017 43.090 42.059 0.024 0.000 1.228 33 L HN 0.514 nan 8.230 nan 0.000 0.517 34 S N -1.200 114.559 115.700 0.099 0.000 2.638 34 S HA 0.376 4.846 4.470 -0.000 0.000 0.274 34 S C 0.175 174.816 174.600 0.069 0.000 1.157 34 S CA -0.326 57.917 58.200 0.071 0.000 0.826 34 S CB 1.476 64.699 63.200 0.038 0.000 1.139 34 S HN 0.104 nan 8.310 nan 0.000 0.474 35 L N 1.937 123.185 121.223 0.043 0.000 2.056 35 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 35 L C 2.465 179.360 176.870 0.041 0.000 1.078 35 L CA 2.816 57.669 54.840 0.021 0.000 0.749 35 L CB -1.282 40.901 42.059 0.207 0.000 0.901 35 L HN 0.942 nan 8.230 nan 0.000 0.433 36 S N -1.287 114.447 115.700 0.055 0.000 2.368 36 S HA -0.233 4.236 4.470 -0.000 0.000 0.225 36 S C 1.975 176.596 174.600 0.036 0.000 1.030 36 S CA 1.621 59.845 58.200 0.040 0.000 0.999 36 S CB -1.838 61.382 63.200 0.034 0.000 0.844 36 S HN 0.696 nan 8.310 nan 0.000 0.459 37 T N 0.294 114.867 114.554 0.032 0.000 2.915 37 T HA 0.202 4.551 4.350 -0.000 0.000 0.269 37 T C 1.878 176.581 174.700 0.006 0.000 1.071 37 T CA 0.937 63.053 62.100 0.028 0.000 1.132 37 T CB -0.624 68.260 68.868 0.028 0.000 0.878 37 T HN 0.535 nan 8.240 nan 0.000 0.479 38 A N 0.857 123.667 122.820 -0.015 0.000 1.929 38 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 38 A C 2.520 180.077 177.584 -0.046 0.000 1.176 38 A CA 1.059 53.063 52.037 -0.055 0.000 0.628 38 A CB -0.706 18.223 19.000 -0.118 0.000 0.816 38 A HN 0.413 nan 8.150 nan 0.000 0.444 39 V N 0.038 119.939 119.914 -0.022 0.000 2.591 39 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 39 V C 2.440 178.513 176.094 -0.036 0.000 1.053 39 V CA 2.049 64.337 62.300 -0.021 0.000 1.068 39 V CB -0.455 31.371 31.823 0.005 0.000 0.689 39 V HN 0.668 nan 8.190 nan 0.000 0.462 40 K N -0.019 120.379 120.400 -0.003 0.000 2.057 40 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 40 K C 2.150 178.707 176.600 -0.072 0.000 1.050 40 K CA 1.330 57.617 56.287 0.000 0.000 0.935 40 K CB -0.029 32.551 32.500 0.133 0.000 0.715 40 K HN 0.356 nan 8.250 nan 0.000 0.439 41 E N 0.731 120.908 120.200 -0.038 0.000 2.077 41 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 41 E C 2.041 178.595 176.600 -0.076 0.000 0.989 41 E CA 0.854 57.226 56.400 -0.047 0.000 0.800 41 E CB -0.138 29.541 29.700 -0.036 0.000 0.746 41 E HN 0.209 nan 8.360 nan 0.000 0.452 42 L N 0.412 121.586 121.223 -0.081 0.000 2.027 42 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 42 L C 2.456 179.260 176.870 -0.110 0.000 1.074 42 L CA 1.075 55.866 54.840 -0.083 0.000 0.745 42 L CB -0.752 41.266 42.059 -0.069 0.000 0.898 42 L HN -0.063 nan 8.230 nan 0.000 0.433 43 V N -0.863 118.956 119.914 -0.159 0.000 2.343 43 V HA -0.287 3.832 4.120 -0.000 0.000 0.247 43 V C 2.441 178.366 176.094 -0.281 0.000 1.051 43 V CA 1.664 63.824 62.300 -0.234 0.000 1.036 43 V CB -0.502 31.107 31.823 -0.356 0.000 0.654 43 V HN 0.466 nan 8.190 nan 0.000 0.451 44 E N -0.007 120.017 120.200 -0.295 0.000 2.106 44 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 44 E C 2.150 178.686 176.600 -0.108 0.000 0.984 44 E CA 1.024 57.297 56.400 -0.212 0.000 0.806 44 E CB -0.118 29.507 29.700 -0.126 0.000 0.750 44 E HN 0.538 nan 8.360 nan 0.000 0.458 45 N N 0.107 118.753 118.700 -0.089 0.000 2.104 45 N HA -0.112 4.628 4.740 -0.000 0.000 0.190 45 N C 1.843 177.323 175.510 -0.050 0.000 1.024 45 N CA 1.108 54.125 53.050 -0.055 0.000 0.853 45 N CB -0.261 38.196 38.487 -0.050 0.000 1.008 45 N HN -0.019 nan 8.380 nan 0.000 0.424 46 S N 1.037 116.696 115.700 -0.067 0.000 2.356 46 S HA 0.018 4.488 4.470 -0.000 0.000 0.223 46 S C 2.142 176.713 174.600 -0.049 0.000 1.032 46 S CA 0.606 58.774 58.200 -0.054 0.000 1.005 46 S CB -0.231 62.933 63.200 -0.061 0.000 0.867 46 S HN 0.254 nan 8.310 nan 0.000 0.449 47 L N 1.485 122.668 121.223 -0.066 0.000 2.012 47 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 47 L C 2.082 178.940 176.870 -0.020 0.000 1.073 47 L CA 1.228 56.043 54.840 -0.041 0.000 0.748 47 L CB -0.758 41.273 42.059 -0.046 0.000 0.891 47 L HN 0.204 nan 8.230 nan 0.000 0.431 48 D N 0.240 120.628 120.400 -0.020 0.000 2.218 48 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 48 D C 1.982 178.278 176.300 -0.005 0.000 0.976 48 D CA 1.319 55.316 54.000 -0.005 0.000 0.853 48 D CB 0.050 40.849 40.800 -0.003 0.000 0.939 48 D HN 0.322 nan 8.370 nan 0.000 0.481 49 A N -0.246 122.566 122.820 -0.013 0.000 2.238 49 A HA 0.388 4.708 4.320 -0.000 0.000 0.208 49 A C 1.693 179.265 177.584 -0.019 0.000 1.177 49 A CA 0.905 52.935 52.037 -0.012 0.000 0.804 49 A CB -0.279 18.713 19.000 -0.012 0.000 0.823 49 A HN 0.217 nan 8.150 nan 0.000 0.482 50 G N -1.499 107.291 108.800 -0.017 0.000 2.160 50 G HA2 0.077 4.037 3.960 -0.000 0.000 0.244 50 G HA3 0.077 4.037 3.960 -0.000 0.000 0.244 50 G C 0.410 175.297 174.900 -0.021 0.000 1.022 50 G CA 0.376 45.465 45.100 -0.017 0.000 0.741 50 G HN 1.573 nan 8.290 nan 0.000 0.508 51 A N -0.390 122.416 122.820 -0.022 0.000 2.445 51 A HA 0.702 5.021 4.320 -0.000 0.000 0.242 51 A C 1.527 179.100 177.584 -0.018 0.000 1.075 51 A CA 1.401 53.425 52.037 -0.022 0.000 0.777 51 A CB 0.386 19.371 19.000 -0.024 0.000 1.013 51 A HN 1.549 nan 8.150 nan 0.000 0.493 52 T N -1.337 113.206 114.554 -0.017 0.000 2.975 52 T HA 0.221 4.571 4.350 -0.000 0.000 0.257 52 T C 0.160 174.851 174.700 -0.015 0.000 1.003 52 T CA 0.216 62.307 62.100 -0.015 0.000 0.932 52 T CB -0.228 68.631 68.868 -0.015 0.000 1.087 52 T HN 0.539 nan 8.240 nan 0.000 0.512 53 N N 0.569 119.260 118.700 -0.015 0.000 2.346 53 N HA 0.666 5.406 4.740 -0.000 0.000 0.289 53 N C -1.688 173.813 175.510 -0.014 0.000 1.027 53 N CA -0.565 52.477 53.050 -0.013 0.000 0.864 53 N CB 2.176 40.657 38.487 -0.011 0.000 1.370 53 N HN 0.236 nan 8.380 nan 0.000 0.481 54 I N 1.616 122.178 120.570 -0.015 0.000 2.503 54 I HA 0.275 4.444 4.170 -0.000 0.000 0.282 54 I C -1.168 174.942 176.117 -0.011 0.000 1.059 54 I CA -0.672 60.618 61.300 -0.018 0.000 1.081 54 I CB 1.417 39.399 38.000 -0.029 0.000 1.210 54 I HN 0.317 nan 8.210 nan 0.000 0.450 55 D N 7.026 127.422 120.400 -0.006 0.000 2.344 55 D HA 0.391 5.030 4.640 -0.000 0.000 0.239 55 D C -0.764 175.538 176.300 0.004 0.000 1.064 55 D CA -0.424 53.577 54.000 0.001 0.000 0.829 55 D CB 3.248 44.050 40.800 0.004 0.000 1.129 55 D HN 0.201 nan 8.370 nan 0.000 0.506 56 L N 2.250 123.479 121.223 0.010 0.000 2.287 56 L HA 0.313 4.653 4.340 -0.000 0.000 0.287 56 L C -0.491 176.396 176.870 0.028 0.000 1.022 56 L CA -0.265 54.585 54.840 0.016 0.000 0.814 56 L CB 0.777 42.847 42.059 0.018 0.000 1.217 56 L HN 0.072 nan 8.230 nan 0.000 0.420 57 K N 6.345 126.761 120.400 0.027 0.000 2.206 57 K HA 0.625 4.945 4.320 -0.000 0.000 0.264 57 K C -1.392 175.232 176.600 0.040 0.000 0.967 57 K CA -0.626 55.679 56.287 0.029 0.000 0.844 57 K CB 1.769 34.281 32.500 0.020 0.000 1.099 57 K HN 0.576 nan 8.250 nan 0.000 0.441 58 L N 2.618 123.869 121.223 0.048 0.000 2.381 58 L HA 0.526 4.865 4.340 -0.000 0.000 0.268 58 L C -0.506 176.368 176.870 0.007 0.000 0.997 58 L CA -0.959 53.917 54.840 0.061 0.000 0.818 58 L CB 2.079 44.219 42.059 0.137 0.000 1.310 58 L HN 0.389 nan 8.230 nan 0.000 0.416 59 K N 1.676 122.075 120.400 -0.001 0.000 2.397 59 K HA 0.316 4.636 4.320 -0.000 0.000 0.253 59 K C -1.212 175.341 176.600 -0.079 0.000 0.932 59 K CA -0.851 55.403 56.287 -0.054 0.000 0.795 59 K CB 1.760 34.245 32.500 -0.024 0.000 1.159 59 K HN 0.539 nan 8.250 nan 0.000 0.424 60 D N 2.256 122.534 120.400 -0.203 0.000 2.689 60 D HA -0.200 4.440 4.640 -0.000 0.000 0.237 60 D C -0.751 175.470 176.300 -0.132 0.000 1.148 60 D CA 1.047 54.909 54.000 -0.229 0.000 0.656 60 D CB -1.217 39.539 40.800 -0.073 0.000 1.050 60 D HN 0.731 nan 8.370 nan 0.000 0.426 61 Y N -2.016 118.210 120.300 -0.124 0.000 3.825 61 Y HA -0.204 4.346 4.550 -0.000 0.000 0.221 61 Y C 1.754 177.743 175.900 0.147 0.000 1.195 61 Y CA 1.698 59.716 58.100 -0.136 0.000 1.699 61 Y CB -1.826 36.389 38.460 -0.408 0.000 1.531 61 Y HN 0.530 nan 8.280 nan 0.000 0.640 62 G N -2.410 106.524 108.800 0.223 0.000 2.199 62 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 62 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 62 G C 0.885 175.970 174.900 0.309 0.000 0.982 62 G CA 0.280 45.537 45.100 0.263 0.000 0.632 62 G HN 0.608 nan 8.290 nan 0.000 0.529 63 V N 0.691 120.750 119.914 0.243 0.000 2.407 63 V HA -0.051 4.069 4.120 -0.000 0.000 0.248 63 V C 2.267 178.483 176.094 0.204 0.000 1.055 63 V CA 2.958 65.388 62.300 0.217 0.000 1.049 63 V CB -0.145 31.626 31.823 -0.087 0.000 0.662 63 V HN 0.611 nan 8.190 nan 0.000 0.455 64 D N -1.564 118.909 120.400 0.122 0.000 2.338 64 D HA 0.096 4.736 4.640 -0.000 0.000 0.224 64 D C 0.262 176.611 176.300 0.081 0.000 0.967 64 D CA 0.294 54.352 54.000 0.096 0.000 0.896 64 D CB 0.577 41.407 40.800 0.049 0.000 1.028 64 D HN 0.261 nan 8.370 nan 0.000 0.493 65 L N 0.430 121.696 121.223 0.071 0.000 2.549 65 L HA 0.490 4.830 4.340 -0.000 0.000 0.259 65 L C -1.970 174.933 176.870 0.057 0.000 0.934 65 L CA -0.552 54.319 54.840 0.052 0.000 0.865 65 L CB 2.011 44.088 42.059 0.031 0.000 1.352 65 L HN -0.035 nan 8.230 nan 0.000 0.410 66 I N 4.063 124.657 120.570 0.040 0.000 2.466 66 I HA 0.427 4.596 4.170 -0.000 0.000 0.279 66 I C -0.751 175.374 176.117 0.013 0.000 1.033 66 I CA -0.319 61.003 61.300 0.037 0.000 1.123 66 I CB 1.719 39.732 38.000 0.022 0.000 1.237 66 I HN 0.615 nan 8.210 nan 0.000 0.460 67 E N 5.957 126.166 120.200 0.016 0.000 2.176 67 E HA 0.567 4.916 4.350 -0.000 0.000 0.267 67 E C -1.525 175.078 176.600 0.004 0.000 0.893 67 E CA -0.640 55.764 56.400 0.007 0.000 0.761 67 E CB 2.190 31.896 29.700 0.011 0.000 1.133 67 E HN 0.294 nan 8.360 nan 0.000 0.409 68 V N 3.503 123.413 119.914 -0.006 0.000 2.378 68 V HA 0.295 4.414 4.120 -0.000 0.000 0.288 68 V C -0.234 175.856 176.094 -0.007 0.000 1.016 68 V CA -0.624 61.670 62.300 -0.011 0.000 0.840 68 V CB 1.446 33.253 31.823 -0.026 0.000 0.994 68 V HN 0.580 nan 8.190 nan 0.000 0.431 69 S N 3.897 119.596 115.700 -0.002 0.000 2.449 69 S HA 0.696 5.166 4.470 -0.000 0.000 0.310 69 S C -0.871 173.728 174.600 -0.002 0.000 1.096 69 S CA -0.648 57.554 58.200 0.004 0.000 1.095 69 S CB 0.897 64.104 63.200 0.012 0.000 1.007 69 S HN 1.013 nan 8.310 nan 0.000 0.474 70 D N 1.990 122.389 120.400 -0.001 0.000 2.552 70 D HA 0.368 5.008 4.640 -0.000 0.000 0.239 70 D C -0.216 176.082 176.300 -0.004 0.000 1.139 70 D CA -0.820 53.175 54.000 -0.008 0.000 0.914 70 D CB 0.640 41.430 40.800 -0.017 0.000 1.461 70 D HN 0.341 nan 8.370 nan 0.000 0.462 71 N N 0.123 118.818 118.700 -0.010 0.000 2.380 71 N HA 0.222 4.962 4.740 -0.000 0.000 0.255 71 N C 0.608 176.106 175.510 -0.021 0.000 1.158 71 N CA -0.503 52.540 53.050 -0.012 0.000 0.878 71 N CB 0.378 38.858 38.487 -0.012 0.000 1.138 71 N HN 0.517 nan 8.380 nan 0.000 0.509 72 G N 0.293 109.080 108.800 -0.022 0.000 2.447 72 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.269 72 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.269 72 G C 1.281 176.150 174.900 -0.051 0.000 1.455 72 G CA 0.152 45.233 45.100 -0.031 0.000 1.061 72 G HN 0.521 nan 8.290 nan 0.000 0.545 73 C N -1.262 117.996 119.300 -0.069 0.000 2.456 73 C HA 0.508 4.968 4.460 -0.000 0.000 0.279 73 C C 1.698 176.591 174.990 -0.162 0.000 1.427 73 C CA 0.073 59.001 59.018 -0.150 0.000 1.778 73 C CB -1.729 25.920 27.740 -0.151 0.000 1.842 73 C HN 2.012 nan 8.230 nan 0.000 0.531 74 G N 0.102 108.881 108.800 -0.034 0.000 2.750 74 G HA2 0.009 3.969 3.960 -0.000 0.000 0.228 74 G HA3 0.009 3.969 3.960 -0.000 0.000 0.228 74 G C -0.758 174.238 174.900 0.161 0.000 1.367 74 G CA -0.169 44.963 45.100 0.053 0.000 0.871 74 G HN 1.133 nan 8.290 nan 0.000 0.560 75 V N 0.159 120.237 119.914 0.273 0.000 2.680 75 V HA 0.628 4.748 4.120 -0.000 0.000 0.309 75 V C 0.401 176.738 176.094 0.405 0.000 1.052 75 V CA -0.564 61.960 62.300 0.374 0.000 0.908 75 V CB 1.767 33.840 31.823 0.417 0.000 1.001 75 V HN 0.883 nan 8.190 nan 0.000 0.431 76 E N 1.394 121.696 120.200 0.169 0.000 2.313 76 E HA 0.213 4.563 4.350 -0.000 0.000 0.272 76 E C 0.778 177.052 176.600 -0.544 0.000 1.038 76 E CA -0.213 56.076 56.400 -0.185 0.000 0.863 76 E CB 1.301 30.809 29.700 -0.320 0.000 1.060 76 E HN 0.775 nan 8.360 nan 0.000 0.402 77 E N 2.248 121.951 120.200 -0.830 0.000 2.118 77 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 77 E C 1.113 177.228 176.600 -0.810 0.000 0.992 77 E CA 1.636 57.174 56.400 -1.436 0.000 0.804 77 E CB 0.183 29.430 29.700 -0.755 0.000 0.741 77 E HN 0.571 nan 8.360 nan 0.000 0.458 78 E N 0.065 120.014 120.200 -0.418 0.000 2.209 78 E HA -0.183 4.166 4.350 -0.000 0.000 0.196 78 E C 1.109 177.624 176.600 -0.140 0.000 0.993 78 E CA 0.939 57.207 56.400 -0.220 0.000 0.819 78 E CB -0.147 29.462 29.700 -0.152 0.000 0.745 78 E HN 0.223 nan 8.360 nan 0.000 0.477 79 N N -0.254 118.364 118.700 -0.137 0.000 2.230 79 N HA 0.066 4.805 4.740 -0.000 0.000 0.202 79 N C 0.598 176.235 175.510 0.212 0.000 1.119 79 N CA 0.023 53.091 53.050 0.030 0.000 0.851 79 N CB 0.188 38.706 38.487 0.052 0.000 0.990 79 N HN 0.073 nan 8.380 nan 0.000 0.497 80 F N 2.273 122.256 119.950 0.055 0.000 2.069 80 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 80 F C 2.231 178.103 175.800 0.120 0.000 1.113 80 F CA 0.810 58.865 58.000 0.091 0.000 1.214 80 F CB -0.688 38.347 39.000 0.059 0.000 0.978 80 F HN 0.035 nan 8.300 nan 0.000 0.474 81 E N -0.440 119.929 120.200 0.282 0.000 2.333 81 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 81 E C 2.224 178.917 176.600 0.154 0.000 1.007 81 E CA 1.040 57.554 56.400 0.190 0.000 0.845 81 E CB -0.582 29.188 29.700 0.117 0.000 0.766 81 E HN 0.425 nan 8.360 nan 0.000 0.507 82 G N 0.212 109.097 108.800 0.142 0.000 3.233 82 G HA2 0.119 4.079 3.960 -0.000 0.000 0.234 82 G HA3 0.119 4.079 3.960 -0.000 0.000 0.234 82 G C 1.437 176.386 174.900 0.083 0.000 1.137 82 G CA -0.338 44.818 45.100 0.093 0.000 0.763 82 G HN 0.089 nan 8.290 nan 0.000 0.549 83 L N 0.832 122.123 121.223 0.112 0.000 2.056 83 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 83 L C 2.007 178.845 176.870 -0.053 0.000 1.078 83 L CA 1.470 56.334 54.840 0.040 0.000 0.749 83 L CB -0.097 41.992 42.059 0.051 0.000 0.901 83 L HN 0.317 nan 8.230 nan 0.000 0.433 84 T N -1.653 112.866 114.554 -0.058 0.000 3.400 84 T HA 0.565 4.915 4.350 -0.000 0.000 0.362 84 T C -0.534 174.156 174.700 -0.016 0.000 1.823 84 T CA -0.371 61.673 62.100 -0.093 0.000 1.374 84 T CB 0.478 69.241 68.868 -0.174 0.000 1.130 84 T HN 0.007 nan 8.240 nan 0.000 0.744 85 L N 1.068 122.285 121.223 -0.009 0.000 3.167 85 L HA 0.473 4.813 4.340 -0.000 0.000 0.273 85 L C -1.384 175.490 176.870 0.007 0.000 0.969 85 L CA -0.061 54.783 54.840 0.007 0.000 1.033 85 L CB 1.508 43.582 42.059 0.026 0.000 1.544 85 L HN 0.986 nan 8.230 nan 0.000 0.393 109 E N 0.025 120.221 120.200 -0.006 0.000 2.513 109 E HA -0.247 4.103 4.350 -0.000 0.000 0.156 109 E C 1.077 177.663 176.600 -0.023 0.000 1.740 109 E CA 0.902 57.294 56.400 -0.014 0.000 0.646 109 E CB -1.382 28.312 29.700 -0.010 0.000 1.080 109 E HN 1.322 nan 8.360 nan 0.000 0.345 110 A N 1.621 124.424 122.820 -0.029 0.000 2.308 110 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 110 A C 1.946 179.492 177.584 -0.063 0.000 1.216 110 A CA 0.022 52.036 52.037 -0.038 0.000 0.864 110 A CB 0.182 19.163 19.000 -0.031 0.000 0.902 110 A HN 0.454 nan 8.150 nan 0.000 0.499 111 L N 0.253 121.430 121.223 -0.076 0.000 2.109 111 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 111 L C 2.842 179.625 176.870 -0.145 0.000 1.086 111 L CA 1.746 56.513 54.840 -0.121 0.000 0.760 111 L CB -0.174 41.805 42.059 -0.133 0.000 0.910 111 L HN 0.610 nan 8.230 nan 0.000 0.437 112 S N -1.520 114.117 115.700 -0.104 0.000 2.383 112 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 112 S C 2.011 176.576 174.600 -0.058 0.000 1.026 112 S CA 1.152 59.300 58.200 -0.087 0.000 0.981 112 S CB -0.355 62.817 63.200 -0.046 0.000 0.818 112 S HN 0.370 nan 8.310 nan 0.000 0.472 113 S N 2.864 118.535 115.700 -0.048 0.000 2.359 113 S HA 0.035 4.505 4.470 -0.000 0.000 0.224 113 S C 1.836 176.409 174.600 -0.046 0.000 1.035 113 S CA 1.367 59.547 58.200 -0.032 0.000 1.018 113 S CB -0.778 62.407 63.200 -0.025 0.000 0.876 113 S HN 0.409 nan 8.310 nan 0.000 0.448 114 L N 0.831 122.008 121.223 -0.077 0.000 2.129 114 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 114 L C 2.397 179.230 176.870 -0.062 0.000 1.087 114 L CA 0.842 55.622 54.840 -0.099 0.000 0.757 114 L CB -0.679 41.308 42.059 -0.120 0.000 0.896 114 L HN 0.444 nan 8.230 nan 0.000 0.434 115 C N -0.852 118.420 119.300 -0.048 0.000 2.446 115 C HA -0.009 4.451 4.460 -0.000 0.000 0.279 115 C C 2.974 178.065 174.990 0.168 0.000 1.366 115 C CA 0.533 59.575 59.018 0.041 0.000 1.763 115 C CB -0.941 26.789 27.740 -0.017 0.000 1.929 115 C HN 0.601 nan 8.230 nan 0.000 0.509 116 A N -0.074 122.785 122.820 0.065 0.000 2.016 116 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 116 A C 1.898 179.440 177.584 -0.071 0.000 1.162 116 A CA 1.099 53.160 52.037 0.039 0.000 0.662 116 A CB -0.296 18.716 19.000 0.020 0.000 0.812 116 A HN 0.615 nan 8.150 nan 0.000 0.450 117 L N -0.475 120.714 121.223 -0.057 0.000 2.616 117 L HA 0.177 4.517 4.340 -0.000 0.000 0.229 117 L C 0.724 177.519 176.870 -0.124 0.000 1.110 117 L CA 0.500 55.286 54.840 -0.090 0.000 0.884 117 L CB 0.175 42.190 42.059 -0.074 0.000 1.115 117 L HN 0.501 nan 8.230 nan 0.000 0.481 118 S N -2.981 112.693 115.700 -0.043 0.000 2.643 118 S HA 0.345 4.815 4.470 -0.000 0.000 0.270 118 S C -1.595 173.137 174.600 0.220 0.000 1.166 118 S CA -1.067 57.157 58.200 0.041 0.000 0.815 118 S CB 1.759 64.926 63.200 -0.055 0.000 1.139 118 S HN -0.069 nan 8.310 nan 0.000 0.472 119 D N 1.322 121.830 120.400 0.180 0.000 2.316 119 D HA 0.455 5.094 4.640 -0.000 0.000 0.245 119 D C -0.616 175.723 176.300 0.064 0.000 1.171 119 D CA -0.022 54.049 54.000 0.120 0.000 0.856 119 D CB 1.561 42.408 40.800 0.078 0.000 1.090 119 D HN 0.372 nan 8.370 nan 0.000 0.476 120 V N 2.846 122.804 119.914 0.073 0.000 2.398 120 V HA 0.329 4.448 4.120 -0.000 0.000 0.286 120 V C 0.403 176.592 176.094 0.159 0.000 1.026 120 V CA -0.352 61.987 62.300 0.064 0.000 0.868 120 V CB 1.860 33.670 31.823 -0.022 0.000 0.982 120 V HN 0.476 nan 8.190 nan 0.000 0.443 121 T N 6.405 121.012 114.554 0.089 0.000 2.824 121 T HA 0.716 5.066 4.350 -0.000 0.000 0.282 121 T C -0.487 174.245 174.700 0.053 0.000 0.993 121 T CA -0.237 61.903 62.100 0.066 0.000 0.967 121 T CB 1.218 70.074 68.868 -0.021 0.000 0.960 121 T HN 0.407 nan 8.240 nan 0.000 0.441 122 I N 2.845 123.457 120.570 0.070 0.000 2.499 122 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 122 I C 0.046 176.121 176.117 -0.070 0.000 1.048 122 I CA -0.850 60.467 61.300 0.028 0.000 1.062 122 I CB 2.120 40.185 38.000 0.109 0.000 1.238 122 I HN 0.659 nan 8.210 nan 0.000 0.426 123 S N 3.578 119.240 115.700 -0.063 0.000 2.501 123 S HA 0.829 5.299 4.470 -0.000 0.000 0.301 123 S C -0.564 174.049 174.600 0.021 0.000 1.096 123 S CA -0.505 57.658 58.200 -0.061 0.000 1.063 123 S CB 2.327 65.509 63.200 -0.030 0.000 1.042 123 S HN 0.693 nan 8.310 nan 0.000 0.494 124 T N 0.500 115.082 114.554 0.046 0.000 2.840 124 T HA 0.594 4.944 4.350 -0.000 0.000 0.317 124 T C -1.941 172.853 174.700 0.156 0.000 1.401 124 T CA -0.476 61.680 62.100 0.093 0.000 1.028 124 T CB 1.415 70.337 68.868 0.089 0.000 1.317 124 T HN 1.224 nan 8.240 nan 0.000 0.495 125 C N 3.955 123.349 119.300 0.157 0.000 2.752 125 C HA 0.594 5.054 4.460 -0.000 0.000 0.360 125 C C -0.782 174.302 174.990 0.157 0.000 1.081 125 C CA -0.597 58.523 59.018 0.170 0.000 1.272 125 C CB 0.434 28.244 27.740 0.117 0.000 1.754 125 C HN 1.037 nan 8.230 nan 0.000 0.483 126 H N 2.985 122.112 119.070 0.095 0.000 2.488 126 H HA 0.455 5.010 4.556 -0.000 0.000 0.347 126 H C 0.993 176.346 175.328 0.041 0.000 1.174 126 H CA 0.770 56.855 56.048 0.063 0.000 1.307 126 H CB 2.273 32.067 29.762 0.053 0.000 1.517 126 H HN 0.882 nan 8.280 nan 0.000 0.554 127 A N 2.326 125.147 122.820 0.002 0.000 1.908 127 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 127 A C 2.396 180.074 177.584 0.157 0.000 1.181 127 A CA 2.236 54.311 52.037 0.064 0.000 0.627 127 A CB -0.943 18.058 19.000 0.002 0.000 0.818 127 A HN 0.759 nan 8.150 nan 0.000 0.445 128 S N -0.171 115.715 115.700 0.310 0.000 2.507 128 S HA 0.335 4.805 4.470 -0.000 0.000 0.235 128 S C 0.968 175.620 174.600 0.087 0.000 0.988 128 S CA 0.481 58.772 58.200 0.151 0.000 0.944 128 S CB -0.773 62.472 63.200 0.075 0.000 0.762 128 S HN 0.973 nan 8.310 nan 0.000 0.526 129 A N 1.593 124.487 122.820 0.124 0.000 2.388 129 A HA 0.469 4.789 4.320 -0.000 0.000 0.257 129 A C 1.203 178.825 177.584 0.064 0.000 1.095 129 A CA -0.652 51.436 52.037 0.085 0.000 0.791 129 A CB 0.471 19.549 19.000 0.130 0.000 1.029 129 A HN 0.217 nan 8.150 nan 0.000 0.489 130 K N 0.606 121.034 120.400 0.046 0.000 2.137 130 K HA 0.123 4.442 4.320 -0.000 0.000 0.202 130 K C -0.031 176.593 176.600 0.040 0.000 1.052 130 K CA 1.066 57.374 56.287 0.034 0.000 0.961 130 K CB 0.010 32.524 32.500 0.024 0.000 0.741 130 K HN 0.546 nan 8.250 nan 0.000 0.452 131 V N -0.248 119.701 119.914 0.059 0.000 2.971 131 V HA 0.386 4.506 4.120 -0.000 0.000 0.309 131 V C 0.329 176.488 176.094 0.108 0.000 1.130 131 V CA -1.177 61.162 62.300 0.065 0.000 0.964 131 V CB 1.704 33.561 31.823 0.058 0.000 1.029 131 V HN 0.269 nan 8.190 nan 0.000 0.427 132 G N 1.523 110.388 108.800 0.110 0.000 2.653 132 G HA2 0.578 4.537 3.960 -0.000 0.000 0.265 132 G HA3 0.578 4.537 3.960 -0.000 0.000 0.265 132 G C -0.387 174.634 174.900 0.202 0.000 1.237 132 G CA -0.043 45.156 45.100 0.165 0.000 0.946 132 G HN 0.717 nan 8.290 nan 0.000 0.522 133 T N -0.805 113.861 114.554 0.187 0.000 2.916 133 T HA 0.532 4.882 4.350 -0.000 0.000 0.305 133 T C -0.513 174.147 174.700 -0.065 0.000 1.119 133 T CA -0.632 61.516 62.100 0.081 0.000 1.008 133 T CB 2.146 71.031 68.868 0.028 0.000 1.129 133 T HN 0.568 nan 8.240 nan 0.000 0.480 134 R N 2.223 122.622 120.500 -0.168 0.000 2.437 134 R HA 0.714 5.054 4.340 -0.000 0.000 0.310 134 R C -1.431 174.684 176.300 -0.308 0.000 0.955 134 R CA -0.655 55.244 56.100 -0.335 0.000 0.851 134 R CB 0.559 30.526 30.300 -0.556 0.000 1.161 134 R HN 0.552 nan 8.270 nan 0.000 0.446 135 L N 5.085 126.116 121.223 -0.320 0.000 2.365 135 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 135 L C -0.372 176.254 176.870 -0.407 0.000 1.000 135 L CA -0.835 53.745 54.840 -0.434 0.000 0.819 135 L CB 2.163 43.894 42.059 -0.547 0.000 1.284 135 L HN 0.505 nan 8.230 nan 0.000 0.418 136 M N 3.083 122.381 119.600 -0.503 0.000 2.243 136 M HA 0.498 4.978 4.480 -0.000 0.000 0.324 136 M C -1.385 174.626 176.300 -0.481 0.000 1.031 136 M CA -0.267 54.838 55.300 -0.325 0.000 0.949 136 M CB 1.920 34.393 32.600 -0.211 0.000 1.615 136 M HN 0.280 nan 8.290 nan 0.000 0.430 137 F N 1.303 121.190 119.950 -0.104 0.000 2.480 137 F HA 0.360 4.886 4.527 -0.000 0.000 0.329 137 F C 0.530 176.244 175.800 -0.143 0.000 1.091 137 F CA -0.869 57.073 58.000 -0.097 0.000 0.972 137 F CB 1.158 40.115 39.000 -0.071 0.000 1.150 137 F HN 0.548 nan 8.300 nan 0.000 0.467 138 D N -0.069 120.346 120.400 0.026 0.000 2.423 138 D HA 0.083 4.723 4.640 -0.000 0.000 0.255 138 D C 0.816 177.057 176.300 -0.098 0.000 1.174 138 D CA -0.257 53.657 54.000 -0.144 0.000 1.008 138 D CB 0.356 41.100 40.800 -0.094 0.000 1.101 138 D HN 0.482 nan 8.370 nan 0.000 0.516 139 H N -0.728 118.373 119.070 0.052 0.000 2.545 139 H HA -0.022 4.534 4.556 -0.000 0.000 0.282 139 H C 0.567 175.915 175.328 0.034 0.000 1.020 139 H CA 0.644 56.714 56.048 0.037 0.000 1.243 139 H CB -0.286 29.491 29.762 0.026 0.000 1.377 139 H HN 0.540 nan 8.280 nan 0.000 0.581 140 N N -0.019 118.753 118.700 0.121 0.000 2.276 140 N HA 0.046 4.786 4.740 -0.000 0.000 0.212 140 N C 0.618 176.177 175.510 0.083 0.000 1.127 140 N CA 0.309 53.412 53.050 0.089 0.000 0.834 140 N CB 0.428 38.956 38.487 0.068 0.000 1.014 140 N HN 0.385 nan 8.380 nan 0.000 0.491 141 G N 1.423 110.283 108.800 0.101 0.000 2.155 141 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.257 141 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.257 141 G C 0.125 175.167 174.900 0.236 0.000 0.983 141 G CA 0.268 45.439 45.100 0.117 0.000 0.676 141 G HN 0.329 nan 8.290 nan 0.000 0.528 142 K N -0.278 120.234 120.400 0.188 0.000 2.118 142 K HA 0.581 4.900 4.320 -0.000 0.000 0.264 142 K C 0.658 177.314 176.600 0.093 0.000 1.000 142 K CA -0.820 55.548 56.287 0.135 0.000 0.929 142 K CB 0.521 33.054 32.500 0.055 0.000 1.021 142 K HN 0.186 nan 8.250 nan 0.000 0.463 143 I N 5.270 125.818 120.570 -0.037 0.000 2.363 143 I HA -0.007 4.163 4.170 -0.000 0.000 0.292 143 I C 1.281 177.269 176.117 -0.215 0.000 1.075 143 I CA 0.017 61.133 61.300 -0.306 0.000 1.333 143 I CB 0.610 38.447 38.000 -0.272 0.000 1.415 143 I HN 0.648 nan 8.210 nan 0.000 0.502 144 I N 4.507 124.925 120.570 -0.254 0.000 2.277 144 I HA -0.061 4.109 4.170 -0.000 0.000 0.243 144 I C 1.109 177.128 176.117 -0.162 0.000 1.094 144 I CA 1.042 62.242 61.300 -0.166 0.000 1.393 144 I CB -0.007 37.901 38.000 -0.153 0.000 1.078 144 I HN 0.621 nan 8.210 nan 0.000 0.417 145 Q N 0.697 120.366 119.800 -0.219 0.000 2.423 145 Q HA 0.453 4.793 4.340 -0.000 0.000 0.278 145 Q C -1.106 174.760 176.000 -0.223 0.000 1.097 145 Q CA -0.719 54.975 55.803 -0.181 0.000 0.809 145 Q CB 2.910 31.551 28.738 -0.162 0.000 1.391 145 Q HN -0.018 nan 8.270 nan 0.000 0.428 146 K N 1.472 121.780 120.400 -0.154 0.000 2.619 146 K HA 0.378 4.697 4.320 -0.000 0.000 0.251 146 K C -1.846 174.709 176.600 -0.075 0.000 0.987 146 K CA -0.219 55.985 56.287 -0.138 0.000 0.844 146 K CB 1.476 33.928 32.500 -0.081 0.000 1.237 146 K HN 0.729 nan 8.250 nan 0.000 0.447 147 T N 1.225 115.733 114.554 -0.075 0.000 2.912 147 T HA 0.549 4.899 4.350 -0.000 0.000 0.299 147 T C -2.900 171.821 174.700 0.036 0.000 1.052 147 T CA -2.153 59.936 62.100 -0.018 0.000 0.996 147 T CB 1.656 70.507 68.868 -0.028 0.000 1.070 147 T HN 0.221 nan 8.240 nan 0.000 0.465 148 P HA 0.239 nan 4.420 nan 0.000 0.267 148 P C -1.445 175.975 177.300 0.201 0.000 1.200 148 P CA 0.006 63.176 63.100 0.116 0.000 0.772 148 P CB 0.014 31.763 31.700 0.081 0.000 0.855 149 Y N 3.272 123.579 120.300 0.012 0.000 2.278 149 Y HA 0.289 4.839 4.550 -0.000 0.000 0.328 149 Y C -2.715 173.192 175.900 0.013 0.000 1.166 149 Y CA -2.709 55.394 58.100 0.004 0.000 1.211 149 Y CB 1.270 39.724 38.460 -0.009 0.000 1.167 149 Y HN 0.257 nan 8.280 nan 0.000 0.434 150 P HA 0.282 nan 4.420 nan 0.000 0.271 150 P C -1.101 176.011 177.300 -0.312 0.000 1.233 150 P CA 0.270 63.252 63.100 -0.195 0.000 0.764 150 P CB 0.458 32.072 31.700 -0.144 0.000 0.825 151 R N 2.731 123.144 120.500 -0.146 0.000 2.692 151 R HA 0.724 5.063 4.340 -0.000 0.000 0.269 151 R C -2.982 173.304 176.300 -0.024 0.000 1.030 151 R CA -2.028 54.010 56.100 -0.103 0.000 0.882 151 R CB -0.338 29.943 30.300 -0.032 0.000 1.250 151 R HN 0.088 nan 8.270 nan 0.000 0.465 152 P HA 0.052 nan 4.420 nan 0.000 0.271 152 P C -0.858 176.450 177.300 0.014 0.000 1.233 152 P CA -0.609 62.489 63.100 -0.003 0.000 0.789 152 P CB 0.502 32.197 31.700 -0.007 0.000 0.951 153 R N 0.377 120.881 120.500 0.008 0.000 2.585 153 R HA 0.391 4.731 4.340 -0.000 0.000 0.275 153 R C 0.335 176.637 176.300 0.003 0.000 1.018 153 R CA 1.073 57.176 56.100 0.005 0.000 1.072 153 R CB -0.688 29.600 30.300 -0.021 0.000 0.953 153 R HN 0.815 nan 8.270 nan 0.000 0.419 154 G N 1.413 110.220 108.800 0.012 0.000 2.346 154 G HA2 0.038 3.998 3.960 -0.000 0.000 0.294 154 G HA3 0.038 3.998 3.960 -0.000 0.000 0.294 154 G C -1.424 173.497 174.900 0.036 0.000 1.294 154 G CA -0.508 44.600 45.100 0.012 0.000 0.962 154 G HN 0.645 nan 8.290 nan 0.000 0.508 155 T N -0.020 114.551 114.554 0.028 0.000 2.916 155 T HA 0.737 5.086 4.350 -0.000 0.000 0.305 155 T C -0.931 173.783 174.700 0.023 0.000 1.119 155 T CA -0.333 61.787 62.100 0.034 0.000 1.008 155 T CB 2.087 70.971 68.868 0.028 0.000 1.129 155 T HN 0.769 nan 8.240 nan 0.000 0.480 156 T N 2.050 116.619 114.554 0.024 0.000 2.890 156 T HA 0.526 4.875 4.350 -0.000 0.000 0.295 156 T C -0.570 174.131 174.700 0.002 0.000 0.993 156 T CA -0.475 61.635 62.100 0.016 0.000 0.979 156 T CB 0.992 69.880 68.868 0.033 0.000 0.967 156 T HN 0.394 nan 8.240 nan 0.000 0.441 157 V N 3.335 123.244 119.914 -0.008 0.000 2.370 157 V HA 0.521 4.641 4.120 -0.000 0.000 0.283 157 V C 0.096 176.181 176.094 -0.016 0.000 1.023 157 V CA -0.647 61.642 62.300 -0.018 0.000 0.857 157 V CB 1.667 33.468 31.823 -0.037 0.000 0.985 157 V HN 0.912 nan 8.190 nan 0.000 0.443 158 S N 3.824 119.517 115.700 -0.012 0.000 2.456 158 S HA 0.547 5.017 4.470 -0.000 0.000 0.316 158 S C -0.321 174.273 174.600 -0.010 0.000 1.089 158 S CA -0.510 57.685 58.200 -0.008 0.000 1.101 158 S CB 1.611 64.808 63.200 -0.005 0.000 0.995 158 S HN 0.457 nan 8.310 nan 0.000 0.468 159 V N 4.571 124.475 119.914 -0.015 0.000 2.294 159 V HA 0.328 4.448 4.120 -0.000 0.000 0.272 159 V C 0.087 176.179 176.094 -0.004 0.000 1.027 159 V CA -0.518 61.766 62.300 -0.027 0.000 0.823 159 V CB 0.873 32.659 31.823 -0.063 0.000 1.030 159 V HN 0.781 nan 8.190 nan 0.000 0.457 160 Q N 3.157 122.966 119.800 0.014 0.000 2.243 160 Q HA 0.318 4.658 4.340 -0.000 0.000 0.252 160 Q C -0.190 175.844 176.000 0.057 0.000 0.909 160 Q CA -0.471 55.354 55.803 0.038 0.000 0.922 160 Q CB 0.955 29.716 28.738 0.039 0.000 1.215 160 Q HN 0.613 nan 8.270 nan 0.000 0.427 161 Q N 0.966 120.821 119.800 0.091 0.000 2.439 161 Q HA -0.236 4.104 4.340 -0.000 0.000 0.325 161 Q C -0.516 175.569 176.000 0.142 0.000 1.372 161 Q CA 0.383 56.275 55.803 0.149 0.000 0.909 161 Q CB -1.673 27.137 28.738 0.119 0.000 1.167 161 Q HN 0.539 nan 8.270 nan 0.000 0.418 162 L N 0.011 121.271 121.223 0.062 0.000 2.593 162 L HA -0.075 4.265 4.340 -0.000 0.000 0.287 162 L C 0.731 177.573 176.870 -0.047 0.000 1.243 162 L CA 1.232 55.950 54.840 -0.203 0.000 0.890 162 L CB -0.300 41.473 42.059 -0.477 0.000 1.134 162 L HN 0.414 nan 8.230 nan 0.000 0.502 163 F N 1.264 121.255 119.950 0.068 0.000 2.953 163 F HA -0.301 4.226 4.527 -0.000 0.000 0.292 163 F C 1.838 177.733 175.800 0.157 0.000 0.747 163 F CA 1.095 59.150 58.000 0.093 0.000 1.222 163 F CB -2.654 36.413 39.000 0.112 0.000 1.457 163 F HN 0.623 nan 8.300 nan 0.000 0.383 164 S N -1.537 114.291 115.700 0.213 0.000 2.474 164 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 164 S C 1.821 176.400 174.600 -0.036 0.000 0.997 164 S CA 1.233 59.446 58.200 0.021 0.000 0.949 164 S CB -0.629 62.562 63.200 -0.015 0.000 0.766 164 S HN 0.638 nan 8.310 nan 0.000 0.517 165 T N -0.637 113.890 114.554 -0.045 0.000 3.100 165 T HA 0.340 4.690 4.350 -0.000 0.000 0.253 165 T C 0.484 175.175 174.700 -0.015 0.000 1.118 165 T CA -0.040 62.001 62.100 -0.098 0.000 1.058 165 T CB -0.371 68.342 68.868 -0.258 0.000 0.953 165 T HN 0.360 nan 8.240 nan 0.000 0.515 166 L N 1.900 123.160 121.223 0.063 0.000 2.445 166 L HA 0.360 4.699 4.340 -0.000 0.000 0.252 166 L C -1.997 174.931 176.870 0.096 0.000 1.105 166 L CA -2.361 52.520 54.840 0.069 0.000 0.943 166 L CB 2.071 44.181 42.059 0.085 0.000 1.277 166 L HN -0.062 nan 8.230 nan 0.000 0.465 167 P HA -0.174 nan 4.420 nan 0.000 0.218 167 P C 1.591 178.945 177.300 0.090 0.000 1.146 167 P CA 0.905 64.042 63.100 0.061 0.000 0.813 167 P CB 0.421 32.131 31.700 0.017 0.000 0.778 168 V N -0.387 119.558 119.914 0.052 0.000 2.379 168 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 168 V C 2.636 178.739 176.094 0.015 0.000 1.035 168 V CA 1.620 63.938 62.300 0.029 0.000 1.035 168 V CB -0.821 31.004 31.823 0.003 0.000 0.673 168 V HN -0.004 nan 8.190 nan 0.000 0.457 169 R N 0.171 120.659 120.500 -0.020 0.000 2.115 169 R HA -0.156 4.184 4.340 -0.000 0.000 0.226 169 R C 2.207 178.450 176.300 -0.096 0.000 1.100 169 R CA 1.964 57.974 56.100 -0.149 0.000 0.980 169 R CB -0.926 29.199 30.300 -0.293 0.000 0.875 169 R HN 0.732 nan 8.270 nan 0.000 0.445 170 H N -0.383 118.697 119.070 0.016 0.000 2.389 170 H HA 0.019 4.575 4.556 -0.000 0.000 0.299 170 H C 1.462 176.900 175.328 0.182 0.000 1.081 170 H CA 1.834 58.008 56.048 0.211 0.000 1.345 170 H CB 0.185 30.082 29.762 0.225 0.000 1.393 170 H HN 0.015 nan 8.280 nan 0.000 0.520 171 K N 0.259 120.782 120.400 0.206 0.000 2.116 171 K HA -0.049 4.270 4.320 -0.000 0.000 0.203 171 K C 2.078 178.689 176.600 0.018 0.000 1.052 171 K CA 0.962 57.314 56.287 0.108 0.000 0.952 171 K CB 0.108 32.676 32.500 0.113 0.000 0.729 171 K HN 0.287 nan 8.250 nan 0.000 0.446 172 E N -0.337 119.874 120.200 0.018 0.000 2.077 172 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 172 E C 1.760 178.376 176.600 0.027 0.000 0.989 172 E CA 0.777 57.175 56.400 -0.003 0.000 0.800 172 E CB -0.334 29.347 29.700 -0.031 0.000 0.746 172 E HN 0.271 nan 8.360 nan 0.000 0.452 173 F N 2.109 121.969 119.950 -0.151 0.000 2.171 173 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 173 F C 2.075 177.825 175.800 -0.083 0.000 1.090 173 F CA 1.525 59.456 58.000 -0.116 0.000 1.293 173 F CB -0.248 38.698 39.000 -0.089 0.000 1.013 173 F HN -0.001 nan 8.300 nan 0.000 0.486 174 Q N -0.109 119.501 119.800 -0.316 0.000 2.083 174 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 174 Q C 2.281 178.148 176.000 -0.222 0.000 0.969 174 Q CA 1.493 57.064 55.803 -0.387 0.000 0.838 174 Q CB -0.135 28.452 28.738 -0.252 0.000 0.900 174 Q HN 0.435 nan 8.270 nan 0.000 0.436 175 R N 0.552 120.979 120.500 -0.123 0.000 2.092 175 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 175 R C 1.170 177.421 176.300 -0.082 0.000 1.119 175 R CA 0.970 57.021 56.100 -0.082 0.000 0.970 175 R CB -0.107 30.166 30.300 -0.045 0.000 0.864 175 R HN 0.188 nan 8.270 nan 0.000 0.440 176 N N 0.911 119.571 118.700 -0.067 0.000 2.276 176 N HA -0.001 4.738 4.740 -0.000 0.000 0.212 176 N C 1.246 176.728 175.510 -0.046 0.000 1.127 176 N CA 0.058 53.085 53.050 -0.038 0.000 0.834 176 N CB 0.408 38.897 38.487 0.004 0.000 1.014 176 N HN 0.115 nan 8.380 nan 0.000 0.491 177 I N 1.698 122.182 120.570 -0.143 0.000 2.185 177 I HA -0.352 3.817 4.170 -0.000 0.000 0.246 177 I C 1.962 177.999 176.117 -0.133 0.000 1.088 177 I CA 1.733 62.914 61.300 -0.198 0.000 1.347 177 I CB 0.131 37.931 38.000 -0.333 0.000 1.041 177 I HN -0.089 nan 8.210 nan 0.000 0.415 178 K N 0.805 121.103 120.400 -0.170 0.000 2.020 178 K HA -0.214 4.105 4.320 -0.000 0.000 0.212 178 K C 2.127 178.717 176.600 -0.017 0.000 1.050 178 K CA 1.875 58.079 56.287 -0.138 0.000 0.929 178 K CB -0.620 31.808 32.500 -0.121 0.000 0.714 178 K HN 0.475 nan 8.250 nan 0.000 0.443 179 K N 0.772 121.168 120.400 -0.006 0.000 2.097 179 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 179 K C 2.034 178.666 176.600 0.053 0.000 1.050 179 K CA 0.755 57.053 56.287 0.017 0.000 0.938 179 K CB 0.046 32.550 32.500 0.007 0.000 0.718 179 K HN 0.183 nan 8.250 nan 0.000 0.442 180 E N 0.211 120.470 120.200 0.098 0.000 2.072 180 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 180 E C 1.923 178.636 176.600 0.188 0.000 0.985 180 E CA 1.122 57.626 56.400 0.174 0.000 0.801 180 E CB -0.209 29.688 29.700 0.329 0.000 0.750 180 E HN 0.325 nan 8.360 nan 0.000 0.452 181 Y N 1.340 121.669 120.300 0.048 0.000 2.200 181 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 181 Y C 2.286 178.197 175.900 0.018 0.000 1.137 181 Y CA 1.313 59.439 58.100 0.044 0.000 1.163 181 Y CB -0.410 38.019 38.460 -0.053 0.000 0.988 181 Y HN -0.005 nan 8.280 nan 0.000 0.518 182 A N 0.416 123.251 122.820 0.025 0.000 1.883 182 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 182 A C 2.314 179.844 177.584 -0.090 0.000 1.186 182 A CA 2.142 54.151 52.037 -0.048 0.000 0.624 182 A CB -0.832 18.172 19.000 0.006 0.000 0.822 182 A HN 0.500 nan 8.150 nan 0.000 0.444 183 K N -0.869 119.507 120.400 -0.039 0.000 2.097 183 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 183 K C 2.160 178.728 176.600 -0.053 0.000 1.049 183 K CA 1.619 57.886 56.287 -0.033 0.000 0.933 183 K CB -0.237 32.263 32.500 0.000 0.000 0.717 183 K HN 0.605 nan 8.250 nan 0.000 0.442 184 M N 0.588 120.141 119.600 -0.078 0.000 2.067 184 M HA -0.160 4.319 4.480 -0.000 0.000 0.260 184 M C 1.771 177.973 176.300 -0.164 0.000 1.069 184 M CA 1.616 56.861 55.300 -0.091 0.000 1.117 184 M CB -0.135 32.404 32.600 -0.101 0.000 1.334 184 M HN 0.013 nan 8.290 nan 0.000 0.407 185 V N 1.216 120.935 119.914 -0.324 0.000 2.380 185 V HA -0.302 3.817 4.120 -0.000 0.000 0.251 185 V C 2.464 178.335 176.094 -0.371 0.000 1.063 185 V CA 2.315 64.366 62.300 -0.415 0.000 1.055 185 V CB -1.058 30.475 31.823 -0.483 0.000 0.657 185 V HN 0.597 nan 8.190 nan 0.000 0.455 186 Q N -0.039 119.664 119.800 -0.161 0.000 2.016 186 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 186 Q C 2.138 178.216 176.000 0.130 0.000 0.978 186 Q CA 2.168 57.993 55.803 0.035 0.000 0.833 186 Q CB -0.575 28.175 28.738 0.019 0.000 0.895 186 Q HN 0.446 nan 8.270 nan 0.000 0.427 187 V N 0.544 120.495 119.914 0.061 0.000 2.332 187 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 187 V C 2.248 178.450 176.094 0.180 0.000 1.055 187 V CA 1.675 64.043 62.300 0.112 0.000 1.038 187 V CB -0.690 31.201 31.823 0.113 0.000 0.651 187 V HN 0.386 nan 8.190 nan 0.000 0.450 188 L N -0.310 120.978 121.223 0.108 0.000 2.046 188 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 188 L C 2.355 179.332 176.870 0.178 0.000 1.077 188 L CA 2.055 56.974 54.840 0.132 0.000 0.747 188 L CB -0.930 41.145 42.059 0.026 0.000 0.896 188 L HN 0.441 nan 8.230 nan 0.000 0.432 189 H N -1.554 117.527 119.070 0.018 0.000 2.421 189 H HA -0.102 4.453 4.556 -0.000 0.000 0.298 189 H C 2.097 177.265 175.328 -0.267 0.000 1.087 189 H CA 0.572 56.535 56.048 -0.141 0.000 1.330 189 H CB 0.157 29.879 29.762 -0.067 0.000 1.388 189 H HN 0.538 nan 8.280 nan 0.000 0.526 190 A N 0.898 123.733 122.820 0.026 0.000 1.835 190 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 190 A C 1.859 179.522 177.584 0.132 0.000 1.199 190 A CA 1.390 53.445 52.037 0.030 0.000 0.615 190 A CB -1.099 17.906 19.000 0.009 0.000 0.838 190 A HN 0.375 nan 8.150 nan 0.000 0.444 191 Y N -0.431 119.962 120.300 0.155 0.000 2.315 191 Y HA -0.261 4.289 4.550 -0.000 0.000 0.288 191 Y C 2.825 178.741 175.900 0.027 0.000 1.154 191 Y CA 0.890 59.057 58.100 0.112 0.000 1.229 191 Y CB -0.892 37.613 38.460 0.075 0.000 0.980 191 Y HN 0.402 nan 8.280 nan 0.000 0.540 192 C N -0.504 118.869 119.300 0.122 0.000 2.453 192 C HA -0.144 4.315 4.460 -0.000 0.000 0.277 192 C C 2.756 177.705 174.990 -0.070 0.000 1.262 192 C CA 0.769 59.789 59.018 0.003 0.000 1.718 192 C CB -1.183 26.518 27.740 -0.064 0.000 2.031 192 C HN 0.494 nan 8.230 nan 0.000 0.480 193 I N 0.228 120.723 120.570 -0.125 0.000 2.179 193 I HA -0.187 3.982 4.170 -0.000 0.000 0.242 193 I C 2.194 178.211 176.117 -0.167 0.000 1.088 193 I CA 1.579 62.783 61.300 -0.160 0.000 1.357 193 I CB -0.340 37.543 38.000 -0.194 0.000 1.051 193 I HN 0.249 nan 8.210 nan 0.000 0.409 194 I N -0.043 120.399 120.570 -0.213 0.000 3.059 194 I HA -0.063 4.106 4.170 -0.000 0.000 0.270 194 I C 1.679 177.717 176.117 -0.132 0.000 1.238 194 I CA 1.007 62.112 61.300 -0.325 0.000 1.478 194 I CB -0.063 37.571 38.000 -0.610 0.000 1.097 194 I HN -0.063 nan 8.210 nan 0.000 0.455 195 S N 2.171 117.847 115.700 -0.040 0.000 2.871 195 S HA 0.383 4.853 4.470 -0.000 0.000 0.254 195 S C 0.884 175.471 174.600 -0.022 0.000 1.088 195 S CA 0.122 58.322 58.200 -0.001 0.000 1.166 195 S CB -1.064 62.164 63.200 0.047 0.000 0.826 195 S HN 0.463 nan 8.310 nan 0.000 0.471 196 A N 0.811 123.606 122.820 -0.041 0.000 2.616 196 A HA 0.356 4.675 4.320 -0.000 0.000 0.234 196 A C 1.606 179.176 177.584 -0.023 0.000 1.024 196 A CA 0.734 52.751 52.037 -0.034 0.000 0.758 196 A CB -0.647 18.334 19.000 -0.033 0.000 0.939 196 A HN 1.238 nan 8.150 nan 0.000 0.510 197 G N 0.922 109.709 108.800 -0.022 0.000 2.179 197 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 197 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 197 G C 0.101 174.991 174.900 -0.016 0.000 0.977 197 G CA 0.426 45.515 45.100 -0.018 0.000 0.641 197 G HN 1.036 nan 8.290 nan 0.000 0.533 198 I N 0.667 121.228 120.570 -0.016 0.000 2.406 198 I HA 0.415 4.584 4.170 -0.000 0.000 0.290 198 I C 0.478 176.585 176.117 -0.017 0.000 0.999 198 I CA -0.940 60.352 61.300 -0.014 0.000 1.124 198 I CB 1.682 39.677 38.000 -0.007 0.000 1.289 198 I HN -0.053 nan 8.210 nan 0.000 0.441 199 R N 5.042 125.532 120.500 -0.017 0.000 2.210 199 R HA 0.494 4.833 4.340 -0.000 0.000 0.338 199 R C -1.062 175.229 176.300 -0.015 0.000 1.062 199 R CA -0.366 55.723 56.100 -0.018 0.000 0.902 199 R CB 1.108 31.398 30.300 -0.017 0.000 1.050 199 R HN 0.346 nan 8.270 nan 0.000 0.461 200 V N 2.788 122.693 119.914 -0.016 0.000 2.487 200 V HA 0.366 4.486 4.120 -0.000 0.000 0.298 200 V C -0.156 175.934 176.094 -0.007 0.000 1.028 200 V CA -0.648 61.647 62.300 -0.009 0.000 0.860 200 V CB 1.648 33.471 31.823 0.000 0.000 0.991 200 V HN 0.902 nan 8.190 nan 0.000 0.427 201 S N 3.371 119.070 115.700 -0.000 0.000 2.599 201 S HA 0.845 5.315 4.470 -0.000 0.000 0.294 201 S C -0.893 173.718 174.600 0.018 0.000 1.094 201 S CA -0.753 57.450 58.200 0.006 0.000 0.931 201 S CB 2.068 65.270 63.200 0.003 0.000 1.093 201 S HN 0.953 nan 8.310 nan 0.000 0.488 202 C N 2.286 121.603 119.300 0.029 0.000 2.985 202 C HA 0.889 5.348 4.460 -0.000 0.000 0.332 202 C C -0.665 174.359 174.990 0.055 0.000 1.164 202 C CA 0.327 59.371 59.018 0.044 0.000 1.347 202 C CB 0.726 28.498 27.740 0.054 0.000 1.764 202 C HN 1.336 nan 8.230 nan 0.000 0.489 203 T N 2.024 116.613 114.554 0.057 0.000 2.903 203 T HA 0.678 5.028 4.350 -0.000 0.000 0.299 203 T C -1.174 173.563 174.700 0.061 0.000 1.093 203 T CA -0.558 61.575 62.100 0.054 0.000 1.002 203 T CB 1.754 70.639 68.868 0.029 0.000 1.127 203 T HN 0.864 nan 8.240 nan 0.000 0.488 204 N N 0.650 119.377 118.700 0.045 0.000 2.249 204 N HA 0.386 5.126 4.740 -0.000 0.000 0.296 204 N C -1.486 173.967 175.510 -0.094 0.000 1.051 204 N CA -0.575 52.467 53.050 -0.013 0.000 0.815 204 N CB 2.344 40.833 38.487 0.002 0.000 1.487 204 N HN 0.839 nan 8.380 nan 0.000 0.475 205 Q N 3.805 123.521 119.800 -0.139 0.000 2.310 205 Q HA 0.424 4.764 4.340 -0.000 0.000 0.270 205 Q C -1.423 174.450 176.000 -0.212 0.000 1.025 205 Q CA -0.678 55.043 55.803 -0.137 0.000 0.772 205 Q CB 1.027 29.719 28.738 -0.076 0.000 1.253 205 Q HN 0.610 nan 8.270 nan 0.000 0.450 206 L N 4.209 125.297 121.223 -0.224 0.000 2.264 206 L HA 0.546 4.886 4.340 -0.000 0.000 0.289 206 L C 1.053 177.848 176.870 -0.125 0.000 1.044 206 L CA -0.004 54.693 54.840 -0.238 0.000 0.807 206 L CB 0.868 42.777 42.059 -0.249 0.000 1.192 206 L HN 1.059 nan 8.230 nan 0.000 0.425 207 G N 3.229 111.969 108.800 -0.099 0.000 2.594 207 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.297 207 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.297 207 G C 0.366 175.238 174.900 -0.048 0.000 1.273 207 G CA 0.266 45.333 45.100 -0.056 0.000 0.974 207 G HN 0.715 nan 8.290 nan 0.000 0.552 208 Q N 1.206 120.986 119.800 -0.033 0.000 2.247 208 Q HA 0.363 4.702 4.340 -0.000 0.000 0.205 208 Q C 1.574 177.557 176.000 -0.028 0.000 0.896 208 Q CA 0.163 55.950 55.803 -0.026 0.000 0.950 208 Q CB 0.351 29.079 28.738 -0.017 0.000 1.054 208 Q HN 0.810 nan 8.270 nan 0.000 0.482 209 G N 1.434 110.211 108.800 -0.038 0.000 2.631 209 G HA2 -0.006 3.953 3.960 -0.000 0.000 0.271 209 G HA3 -0.006 3.953 3.960 -0.000 0.000 0.271 209 G C -0.346 174.534 174.900 -0.033 0.000 1.302 209 G CA -0.498 44.581 45.100 -0.035 0.000 1.002 209 G HN 0.108 nan 8.290 nan 0.000 0.519 210 K N -0.417 119.967 120.400 -0.027 0.000 2.202 210 K HA 0.181 4.500 4.320 -0.000 0.000 0.264 210 K C 0.213 176.797 176.600 -0.027 0.000 1.010 210 K CA -0.392 55.883 56.287 -0.020 0.000 0.940 210 K CB 0.452 32.946 32.500 -0.011 0.000 0.983 210 K HN 0.354 nan 8.250 nan 0.000 0.475 211 R N 2.975 123.463 120.500 -0.019 0.000 2.351 211 R HA 0.032 4.372 4.340 -0.000 0.000 0.318 211 R C -0.246 176.051 176.300 -0.006 0.000 1.055 211 R CA -0.274 55.816 56.100 -0.017 0.000 0.968 211 R CB 0.674 30.970 30.300 -0.008 0.000 0.974 211 R HN 0.490 nan 8.270 nan 0.000 0.439 212 Q N 3.791 123.587 119.800 -0.007 0.000 2.235 212 Q HA 0.307 4.647 4.340 -0.000 0.000 0.250 212 Q C -2.213 173.811 176.000 0.040 0.000 0.909 212 Q CA -2.371 53.442 55.803 0.016 0.000 0.910 212 Q CB 1.227 29.975 28.738 0.016 0.000 1.223 212 Q HN 0.359 nan 8.270 nan 0.000 0.432 213 P HA 0.128 nan 4.420 nan 0.000 0.280 213 P C 0.013 177.368 177.300 0.091 0.000 1.244 213 P CA -0.090 63.044 63.100 0.057 0.000 0.784 213 P CB 1.008 32.735 31.700 0.044 0.000 0.913 214 V N 2.489 122.463 119.914 0.099 0.000 3.090 214 V HA 0.224 4.344 4.120 -0.000 0.000 0.237 214 V C 0.687 176.860 176.094 0.131 0.000 1.209 214 V CA 0.360 62.743 62.300 0.138 0.000 1.209 214 V CB 0.782 32.694 31.823 0.150 0.000 0.971 214 V HN 0.440 nan 8.190 nan 0.000 0.477 215 V N -0.865 119.099 119.914 0.083 0.000 3.106 215 V HA 0.600 4.720 4.120 -0.000 0.000 0.280 215 V C -2.513 173.584 176.094 0.005 0.000 1.525 215 V CA -0.452 61.874 62.300 0.044 0.000 0.999 215 V CB 1.763 33.647 31.823 0.102 0.000 1.186 215 V HN 0.316 nan 8.190 nan 0.000 0.448 216 C N 4.981 124.257 119.300 -0.039 0.000 2.871 216 C HA 0.812 5.272 4.460 -0.000 0.000 0.378 216 C C -0.220 174.731 174.990 -0.064 0.000 1.052 216 C CA 0.490 59.486 59.018 -0.037 0.000 1.250 216 C CB 0.744 28.471 27.740 -0.022 0.000 1.689 216 C HN 1.357 nan 8.230 nan 0.000 0.506 217 T N 1.827 116.347 114.554 -0.057 0.000 2.945 217 T HA 0.635 4.985 4.350 -0.000 0.000 0.286 217 T C 0.848 175.520 174.700 -0.047 0.000 1.025 217 T CA 0.159 62.220 62.100 -0.066 0.000 1.039 217 T CB 1.774 70.602 68.868 -0.067 0.000 1.068 217 T HN 1.226 nan 8.240 nan 0.000 0.497 218 G N -0.995 107.776 108.800 -0.047 0.000 3.371 218 G HA2 0.461 4.421 3.960 -0.000 0.000 0.248 218 G HA3 0.461 4.421 3.960 -0.000 0.000 0.248 218 G C 1.095 175.977 174.900 -0.030 0.000 1.161 218 G CA -0.220 44.859 45.100 -0.035 0.000 0.796 218 G HN 1.753 nan 8.290 nan 0.000 0.539 219 G N 0.152 108.933 108.800 -0.031 0.000 2.198 219 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.257 219 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.257 219 G C 0.450 175.334 174.900 -0.026 0.000 1.042 219 G CA 0.203 45.288 45.100 -0.025 0.000 0.791 219 G HN 0.642 nan 8.290 nan 0.000 0.502 220 S N 0.897 116.578 115.700 -0.032 0.000 2.585 220 S HA 0.446 4.915 4.470 -0.000 0.000 0.273 220 S C -0.236 174.349 174.600 -0.025 0.000 1.339 220 S CA -0.353 57.830 58.200 -0.029 0.000 1.028 220 S CB 1.653 64.830 63.200 -0.038 0.000 0.906 220 S HN 0.316 nan 8.310 nan 0.000 0.528 221 P HA 0.008 nan 4.420 nan 0.000 0.227 221 P C 0.192 177.488 177.300 -0.008 0.000 1.161 221 P CA 0.461 63.554 63.100 -0.012 0.000 0.788 221 P CB 0.069 31.765 31.700 -0.007 0.000 0.822 222 S N -1.563 114.133 115.700 -0.006 0.000 2.621 222 S HA 0.425 4.895 4.470 -0.000 0.000 0.302 222 S C 1.135 175.734 174.600 -0.002 0.000 1.093 222 S CA -0.817 57.390 58.200 0.012 0.000 1.017 222 S CB 1.116 64.338 63.200 0.037 0.000 1.077 222 S HN -0.184 nan 8.310 nan 0.000 0.517 223 I N 1.080 121.670 120.570 0.033 0.000 2.252 223 I HA -0.115 4.054 4.170 -0.000 0.000 0.245 223 I C 2.703 178.791 176.117 -0.048 0.000 1.102 223 I CA 1.167 62.476 61.300 0.015 0.000 1.385 223 I CB -0.290 37.770 38.000 0.101 0.000 1.064 223 I HN 0.844 nan 8.210 nan 0.000 0.414 224 K N 1.304 121.665 120.400 -0.065 0.000 2.044 224 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 224 K C 1.912 178.375 176.600 -0.229 0.000 1.049 224 K CA 1.927 57.996 56.287 -0.363 0.000 0.927 224 K CB -0.038 32.307 32.500 -0.258 0.000 0.713 224 K HN 0.341 nan 8.250 nan 0.000 0.443 225 E N -0.076 120.052 120.200 -0.120 0.000 2.106 225 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 225 E C 1.902 178.437 176.600 -0.108 0.000 0.984 225 E CA 0.906 57.247 56.400 -0.099 0.000 0.806 225 E CB -0.012 29.651 29.700 -0.062 0.000 0.750 225 E HN 0.337 nan 8.360 nan 0.000 0.458 226 N N 0.899 119.535 118.700 -0.107 0.000 2.120 226 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 226 N C 1.874 177.288 175.510 -0.161 0.000 1.024 226 N CA 0.883 53.858 53.050 -0.125 0.000 0.852 226 N CB -0.164 38.254 38.487 -0.115 0.000 1.003 226 N HN 0.184 nan 8.380 nan 0.000 0.424 227 I N 0.604 121.093 120.570 -0.135 0.000 2.208 227 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 227 I C 2.383 178.446 176.117 -0.090 0.000 1.097 227 I CA 1.351 62.610 61.300 -0.068 0.000 1.363 227 I CB -0.677 37.287 38.000 -0.060 0.000 1.051 227 I HN 0.160 nan 8.210 nan 0.000 0.413 228 G N 0.000 108.725 108.800 -0.126 0.000 2.421 228 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 228 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 228 G C 1.757 176.596 174.900 -0.101 0.000 1.171 228 G CA 0.995 46.034 45.100 -0.101 0.000 0.775 228 G HN 0.361 nan 8.290 nan 0.000 0.543 229 S N -0.060 115.564 115.700 -0.126 0.000 2.359 229 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 229 S C 2.519 177.004 174.600 -0.192 0.000 1.035 229 S CA 1.357 59.479 58.200 -0.131 0.000 1.018 229 S CB -0.328 62.797 63.200 -0.124 0.000 0.876 229 S HN 0.189 nan 8.310 nan 0.000 0.448 230 V N 0.229 119.943 119.914 -0.333 0.000 2.323 230 V HA -0.056 4.064 4.120 -0.000 0.000 0.244 230 V C 1.483 177.193 176.094 -0.640 0.000 1.041 230 V CA 1.574 63.502 62.300 -0.620 0.000 1.025 230 V CB -0.593 30.599 31.823 -1.052 0.000 0.656 230 V HN 0.438 nan 8.190 nan 0.000 0.451 231 F N 0.028 119.907 119.950 -0.118 0.000 2.678 231 F HA 0.611 5.138 4.527 -0.000 0.000 0.305 231 F C 1.171 176.940 175.800 -0.052 0.000 1.090 231 F CA 0.046 58.010 58.000 -0.061 0.000 1.272 231 F CB -0.081 38.917 39.000 -0.002 0.000 1.060 231 F HN 0.245 nan 8.300 nan 0.000 0.576 232 G N 0.591 109.427 108.800 0.060 0.000 2.690 232 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.686 232 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.686 232 G C 0.207 175.105 174.900 -0.003 0.000 1.277 232 G CA -0.761 44.355 45.100 0.026 0.000 0.799 232 G HN 0.026 nan 8.290 nan 0.000 0.613 233 Q N -0.068 119.718 119.800 -0.023 0.000 2.515 233 Q HA -0.023 4.317 4.340 -0.000 0.000 0.212 233 Q C 2.327 178.299 176.000 -0.047 0.000 0.970 233 Q CA 1.270 57.047 55.803 -0.043 0.000 0.941 233 Q CB 0.138 28.855 28.738 -0.036 0.000 0.998 233 Q HN 0.708 nan 8.270 nan 0.000 0.518 234 K N 0.569 120.950 120.400 -0.033 0.000 2.211 234 K HA -0.135 4.185 4.320 -0.000 0.000 0.201 234 K C 1.933 178.492 176.600 -0.069 0.000 1.052 234 K CA 0.572 56.837 56.287 -0.037 0.000 0.973 234 K CB 0.338 32.829 32.500 -0.015 0.000 0.766 234 K HN -0.049 nan 8.250 nan 0.000 0.466 235 Q N 1.098 120.842 119.800 -0.093 0.000 2.079 235 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 235 Q C 1.862 177.691 176.000 -0.286 0.000 0.974 235 Q CA 1.360 57.044 55.803 -0.199 0.000 0.840 235 Q CB -0.155 28.442 28.738 -0.234 0.000 0.898 235 Q HN 0.346 nan 8.270 nan 0.000 0.430 236 L N 0.243 121.320 121.223 -0.243 0.000 2.081 236 L HA -0.241 4.098 4.340 -0.000 0.000 0.212 236 L C 2.210 178.985 176.870 -0.158 0.000 1.080 236 L CA 1.540 56.230 54.840 -0.252 0.000 0.754 236 L CB -0.425 41.516 42.059 -0.197 0.000 0.893 236 L HN 0.409 nan 8.230 nan 0.000 0.433 237 Q N -0.700 119.035 119.800 -0.108 0.000 2.557 237 Q HA -0.087 4.253 4.340 -0.000 0.000 0.217 237 Q C 1.176 177.151 176.000 -0.040 0.000 0.978 237 Q CA 0.997 56.766 55.803 -0.057 0.000 0.950 237 Q CB 0.047 28.760 28.738 -0.041 0.000 0.991 237 Q HN 0.522 nan 8.270 nan 0.000 0.533 238 S N -1.251 114.408 115.700 -0.068 0.000 2.952 238 S HA 0.318 4.788 4.470 -0.000 0.000 0.251 238 S C -0.084 174.518 174.600 0.003 0.000 1.021 238 S CA -0.554 57.633 58.200 -0.022 0.000 1.067 238 S CB 0.164 63.348 63.200 -0.027 0.000 1.002 238 S HN 0.060 nan 8.310 nan 0.000 0.574 239 L N 2.322 123.543 121.223 -0.004 0.000 2.342 239 L HA 0.742 5.082 4.340 -0.000 0.000 0.271 239 L C -0.426 176.560 176.870 0.193 0.000 1.008 239 L CA -1.346 53.547 54.840 0.089 0.000 0.818 239 L CB 1.947 44.006 42.059 -0.000 0.000 1.296 239 L HN 0.351 nan 8.230 nan 0.000 0.427 240 I N -0.269 120.458 120.570 0.262 0.000 2.646 240 I HA 0.632 4.802 4.170 -0.000 0.000 0.299 240 I C -2.612 173.629 176.117 0.208 0.000 1.036 240 I CA -2.408 59.023 61.300 0.219 0.000 1.074 240 I CB 2.212 40.300 38.000 0.145 0.000 1.258 240 I HN 0.295 nan 8.210 nan 0.000 0.430 241 P HA 0.101 nan 4.420 nan 0.000 0.275 241 P C -0.807 176.398 177.300 -0.158 0.000 1.228 241 P CA 0.033 62.968 63.100 -0.276 0.000 0.786 241 P CB 0.723 32.261 31.700 -0.271 0.000 0.927 242 F N 3.407 123.160 119.950 -0.327 0.000 2.529 242 F HA 0.160 4.686 4.527 -0.000 0.000 0.365 242 F C -0.159 175.538 175.800 -0.171 0.000 1.102 242 F CA 0.429 58.306 58.000 -0.204 0.000 1.271 242 F CB 0.525 39.422 39.000 -0.171 0.000 1.120 242 F HN 0.015 nan 8.300 nan 0.000 0.579 243 V N 6.968 126.472 119.914 -0.685 0.000 2.357 243 V HA 0.173 4.293 4.120 -0.000 0.000 0.281 243 V C -0.198 175.583 176.094 -0.522 0.000 1.015 243 V CA -0.818 61.233 62.300 -0.414 0.000 0.827 243 V CB 1.061 32.706 31.823 -0.297 0.000 1.018 243 V HN 0.754 nan 8.190 nan 0.000 0.432 244 Q N 4.116 123.782 119.800 -0.224 0.000 2.337 244 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 244 Q C -1.238 174.694 176.000 -0.114 0.000 1.002 244 Q CA 0.243 55.990 55.803 -0.094 0.000 0.888 244 Q CB 0.792 29.591 28.738 0.102 0.000 1.222 244 Q HN 0.654 nan 8.270 nan 0.000 0.400 245 L N 5.172 126.330 121.223 -0.108 0.000 2.354 245 L HA 0.589 4.929 4.340 -0.000 0.000 0.264 245 L C -2.235 174.608 176.870 -0.046 0.000 1.008 245 L CA -2.589 52.202 54.840 -0.081 0.000 0.819 245 L CB 2.002 44.002 42.059 -0.098 0.000 1.339 245 L HN 0.629 nan 8.230 nan 0.000 0.420 246 P HA 0.137 nan 4.420 nan 0.000 0.272 246 P C -2.558 174.737 177.300 -0.008 0.000 1.223 246 P CA -1.155 61.933 63.100 -0.020 0.000 0.784 246 P CB -0.334 31.358 31.700 -0.014 0.000 0.923 247 P HA -0.012 nan 4.420 nan 0.000 0.267 247 P C 0.058 177.373 177.300 0.026 0.000 1.209 247 P CA 0.204 63.315 63.100 0.018 0.000 0.763 247 P CB 0.230 31.943 31.700 0.022 0.000 0.816 248 S N 2.508 118.228 115.700 0.033 0.000 2.576 248 S HA 0.013 4.483 4.470 -0.000 0.000 0.272 248 S C 0.959 175.585 174.600 0.042 0.000 1.352 248 S CA -0.139 58.080 58.200 0.033 0.000 1.021 248 S CB 0.318 63.539 63.200 0.036 0.000 0.887 248 S HN 0.373 nan 8.310 nan 0.000 0.542 249 D N 1.819 122.238 120.400 0.033 0.000 2.097 249 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 249 D C 2.354 178.678 176.300 0.040 0.000 0.989 249 D CA 1.932 55.952 54.000 0.034 0.000 0.827 249 D CB -0.878 39.937 40.800 0.024 0.000 0.966 249 D HN 0.748 nan 8.370 nan 0.000 0.456 250 S N 0.689 116.411 115.700 0.037 0.000 2.368 250 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 250 S C 2.353 176.982 174.600 0.049 0.000 1.030 250 S CA 0.845 59.066 58.200 0.034 0.000 0.999 250 S CB -0.798 62.418 63.200 0.026 0.000 0.844 250 S HN 0.095 nan 8.310 nan 0.000 0.459 251 V N 1.197 121.156 119.914 0.075 0.000 2.515 251 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 251 V C 2.741 178.955 176.094 0.199 0.000 1.058 251 V CA 1.388 63.767 62.300 0.131 0.000 1.064 251 V CB -1.105 30.813 31.823 0.158 0.000 0.675 251 V HN 0.642 nan 8.190 nan 0.000 0.461 252 C N -0.259 119.126 119.300 0.142 0.000 2.446 252 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 252 C C 2.784 177.850 174.990 0.126 0.000 1.275 252 C CA 1.323 60.428 59.018 0.144 0.000 1.727 252 C CB -0.734 27.057 27.740 0.086 0.000 2.010 252 C HN 0.708 nan 8.230 nan 0.000 0.486 253 E N 1.304 121.550 120.200 0.076 0.000 2.058 253 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 253 E C 2.028 178.644 176.600 0.026 0.000 0.997 253 E CA 1.812 58.239 56.400 0.044 0.000 0.801 253 E CB -0.230 29.485 29.700 0.025 0.000 0.746 253 E HN 0.851 nan 8.360 nan 0.000 0.450 254 E N -1.324 118.873 120.200 -0.005 0.000 2.482 254 E HA -0.164 4.185 4.350 -0.000 0.000 0.196 254 E C 0.836 177.328 176.600 -0.181 0.000 1.047 254 E CA 0.587 56.921 56.400 -0.109 0.000 0.869 254 E CB -0.059 29.531 29.700 -0.184 0.000 0.836 254 E HN 0.392 nan 8.360 nan 0.000 0.520 255 Y N 0.259 120.568 120.300 0.014 0.000 2.481 255 Y HA 0.321 4.871 4.550 -0.000 0.000 0.247 255 Y C 1.305 177.214 175.900 0.015 0.000 1.151 255 Y CA 0.188 58.296 58.100 0.014 0.000 1.238 255 Y CB 1.452 39.921 38.460 0.015 0.000 1.179 255 Y HN 0.197 nan 8.280 nan 0.000 0.524 256 G N 1.299 110.183 108.800 0.140 0.000 2.225 256 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 256 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 256 G C -0.419 174.536 174.900 0.092 0.000 1.060 256 G CA 0.113 45.269 45.100 0.093 0.000 0.833 256 G HN 0.240 nan 8.290 nan 0.000 0.498 257 L N 0.267 121.550 121.223 0.101 0.000 2.334 257 L HA 0.842 5.182 4.340 -0.000 0.000 0.273 257 L C 0.743 177.649 176.870 0.059 0.000 1.013 257 L CA -0.396 54.490 54.840 0.077 0.000 0.816 257 L CB 2.113 44.221 42.059 0.082 0.000 1.278 257 L HN 0.447 nan 8.230 nan 0.000 0.431 258 S N -0.935 114.793 115.700 0.046 0.000 2.810 258 S HA 0.296 4.766 4.470 -0.000 0.000 0.315 258 S C 0.870 175.490 174.600 0.033 0.000 1.138 258 S CA -0.729 57.493 58.200 0.036 0.000 0.889 258 S CB 1.236 64.454 63.200 0.029 0.000 1.236 258 S HN 0.678 nan 8.310 nan 0.000 0.548 259 C N 1.720 121.037 119.300 0.027 0.000 2.403 259 C HA -0.024 4.436 4.460 -0.000 0.000 0.282 259 C C 3.031 178.037 174.990 0.026 0.000 1.297 259 C CA 1.218 60.251 59.018 0.025 0.000 1.785 259 C CB -1.995 25.757 27.740 0.020 0.000 1.963 259 C HN 0.959 nan 8.230 nan 0.000 0.507 260 S N 0.320 116.035 115.700 0.025 0.000 2.458 260 S HA -0.055 4.415 4.470 -0.000 0.000 0.223 260 S C 1.203 175.821 174.600 0.031 0.000 1.019 260 S CA 0.872 59.086 58.200 0.024 0.000 0.937 260 S CB -0.370 62.840 63.200 0.015 0.000 0.788 260 S HN 0.572 nan 8.310 nan 0.000 0.511 261 D N 2.265 122.686 120.400 0.035 0.000 2.277 261 D HA 0.156 4.795 4.640 -0.000 0.000 0.208 261 D C 1.561 177.896 176.300 0.059 0.000 0.962 261 D CA 1.067 55.094 54.000 0.045 0.000 0.865 261 D CB -0.090 40.737 40.800 0.045 0.000 0.939 261 D HN 0.600 nan 8.370 nan 0.000 0.510 262 A N 0.142 122.992 122.820 0.051 0.000 2.337 262 A HA 0.216 4.536 4.320 -0.000 0.000 0.227 262 A C 1.796 179.406 177.584 0.044 0.000 1.259 262 A CA -0.082 51.984 52.037 0.049 0.000 0.870 262 A CB -0.193 18.829 19.000 0.037 0.000 0.927 262 A HN 0.125 nan 8.150 nan 0.000 0.497 263 L N -2.218 119.040 121.223 0.058 0.000 2.575 263 L HA 0.134 4.473 4.340 -0.000 0.000 0.228 263 L C 1.898 178.811 176.870 0.072 0.000 1.075 263 L CA 0.260 55.131 54.840 0.051 0.000 0.867 263 L CB -0.141 41.947 42.059 0.048 0.000 1.097 263 L HN 0.601 nan 8.230 nan 0.000 0.485 264 H N 0.979 120.039 119.070 -0.017 0.000 2.553 264 H HA 0.015 4.571 4.556 -0.000 0.000 0.269 264 H C 0.435 175.718 175.328 -0.074 0.000 1.011 264 H CA -0.204 55.820 56.048 -0.039 0.000 1.150 264 H CB 0.168 29.907 29.762 -0.037 0.000 1.339 264 H HN 0.324 nan 8.280 nan 0.000 0.604 265 N N 1.226 119.898 118.700 -0.046 0.000 2.386 265 N HA -0.093 4.647 4.740 -0.000 0.000 0.273 265 N C 0.528 175.893 175.510 -0.242 0.000 1.331 265 N CA -0.131 52.865 53.050 -0.090 0.000 0.891 265 N CB 0.339 38.811 38.487 -0.024 0.000 1.139 265 N HN 0.392 nan 8.380 nan 0.000 0.487 266 L N 3.661 124.626 121.223 -0.430 0.000 2.858 266 L HA 0.256 4.596 4.340 -0.000 0.000 0.251 266 L C -0.418 176.285 176.870 -0.279 0.000 1.149 266 L CA -0.428 54.197 54.840 -0.357 0.000 0.955 266 L CB 0.202 41.988 42.059 -0.454 0.000 1.289 266 L HN 0.486 nan 8.230 nan 0.000 0.542 267 F N 0.272 120.154 119.950 -0.114 0.000 2.502 267 F HA 0.138 4.665 4.527 -0.000 0.000 0.371 267 F C -0.103 175.561 175.800 -0.228 0.000 1.083 267 F CA 0.032 57.980 58.000 -0.086 0.000 1.174 267 F CB -0.148 38.803 39.000 -0.082 0.000 1.096 267 F HN -0.121 nan 8.300 nan 0.000 0.545 268 Y N 4.414 124.822 120.300 0.180 0.000 2.345 268 Y HA 0.529 5.079 4.550 -0.000 0.000 0.331 268 Y C -0.016 175.932 175.900 0.081 0.000 0.959 268 Y CA -0.754 57.409 58.100 0.105 0.000 1.204 268 Y CB 0.937 39.427 38.460 0.049 0.000 1.135 268 Y HN 0.330 nan 8.280 nan 0.000 0.477 269 I N 3.598 124.254 120.570 0.143 0.000 2.412 269 I HA 0.626 4.796 4.170 -0.000 0.000 0.296 269 I C -0.276 175.833 176.117 -0.015 0.000 0.987 269 I CA -0.511 60.771 61.300 -0.029 0.000 1.180 269 I CB 1.743 39.600 38.000 -0.238 0.000 1.340 269 I HN 0.569 nan 8.210 nan 0.000 0.455 270 S N 3.206 118.828 115.700 -0.131 0.000 2.607 270 S HA 1.014 5.484 4.470 -0.000 0.000 0.273 270 S C -0.413 174.091 174.600 -0.160 0.000 1.148 270 S CA -0.313 57.846 58.200 -0.068 0.000 0.833 270 S CB 2.392 65.584 63.200 -0.014 0.000 1.130 270 S HN 1.247 nan 8.310 nan 0.000 0.470 271 G N -0.005 108.695 108.800 -0.166 0.000 2.320 271 G HA2 0.370 4.330 3.960 -0.000 0.000 0.274 271 G HA3 0.370 4.330 3.960 -0.000 0.000 0.274 271 G C -2.121 172.573 174.900 -0.344 0.000 1.324 271 G CA -0.800 44.230 45.100 -0.118 0.000 0.957 271 G HN 0.863 nan 8.290 nan 0.000 0.481 272 F N -0.389 119.660 119.950 0.164 0.000 2.599 272 F HA 0.876 5.403 4.527 -0.000 0.000 0.311 272 F C 0.170 176.132 175.800 0.270 0.000 1.076 272 F CA -0.794 57.337 58.000 0.218 0.000 0.937 272 F CB 2.444 41.569 39.000 0.209 0.000 1.282 272 F HN 0.571 nan 8.300 nan 0.000 0.460 273 I N 0.231 121.066 120.570 0.442 0.000 2.827 273 I HA 0.435 4.604 4.170 -0.000 0.000 0.298 273 I C -0.751 175.584 176.117 0.363 0.000 1.235 273 I CA -0.370 61.162 61.300 0.385 0.000 1.021 273 I CB 2.080 40.283 38.000 0.338 0.000 1.259 273 I HN 0.518 nan 8.210 nan 0.000 0.427 274 S N 4.368 120.243 115.700 0.291 0.000 2.568 274 S HA 0.148 4.618 4.470 -0.000 0.000 0.282 274 S C -0.249 174.563 174.600 0.353 0.000 1.338 274 S CA -0.437 57.899 58.200 0.226 0.000 1.045 274 S CB 0.656 63.919 63.200 0.105 0.000 0.873 274 S HN 0.523 nan 8.310 nan 0.000 0.516 275 Q N 0.284 120.250 119.800 0.277 0.000 2.535 275 Q HA 0.082 4.422 4.340 -0.000 0.000 0.228 275 Q C 1.289 177.390 176.000 0.169 0.000 1.062 275 Q CA -0.258 55.704 55.803 0.265 0.000 0.967 275 Q CB 0.125 28.959 28.738 0.161 0.000 1.273 275 Q HN 0.953 nan 8.270 nan 0.000 0.554 276 C N -2.364 116.880 119.300 -0.093 0.000 2.626 276 C HA 0.142 4.602 4.460 -0.000 0.000 0.266 276 C C 0.782 175.679 174.990 -0.154 0.000 1.317 276 C CA -0.784 57.972 59.018 -0.437 0.000 1.716 276 C CB -1.255 26.094 27.740 -0.651 0.000 1.819 276 C HN 0.539 nan 8.230 nan 0.000 0.578 277 T N 1.657 116.206 114.554 -0.007 0.000 2.940 277 T HA 0.044 4.394 4.350 -0.000 0.000 0.309 277 T C -0.012 174.731 174.700 0.072 0.000 1.056 277 T CA 0.619 62.748 62.100 0.047 0.000 1.137 277 T CB 0.028 68.934 68.868 0.064 0.000 0.976 277 T HN 0.708 nan 8.240 nan 0.000 0.547 278 H N 1.019 120.087 119.070 -0.003 0.000 3.046 278 H HA 0.359 4.915 4.556 -0.000 0.000 0.303 278 H C 1.367 176.713 175.328 0.031 0.000 1.002 278 H CA 1.344 57.396 56.048 0.007 0.000 1.460 278 H CB -0.450 29.314 29.762 0.004 0.000 1.493 278 H HN 0.819 nan 8.280 nan 0.000 0.559 279 G N 2.948 111.548 108.800 -0.335 0.000 2.317 279 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.227 279 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.227 279 G C 1.342 176.201 174.900 -0.068 0.000 1.042 279 G CA 0.255 45.189 45.100 -0.277 0.000 0.623 279 G HN 0.611 nan 8.290 nan 0.000 0.509 280 V N 2.346 122.255 119.914 -0.007 0.000 2.453 280 V HA 0.115 4.235 4.120 -0.000 0.000 0.252 280 V C 2.514 178.658 176.094 0.084 0.000 1.068 280 V CA 2.190 64.516 62.300 0.043 0.000 1.070 280 V CB -1.214 30.650 31.823 0.069 0.000 0.664 280 V HN 0.991 nan 8.190 nan 0.000 0.461 281 G N -0.126 108.760 108.800 0.144 0.000 2.590 281 G HA2 0.223 4.183 3.960 -0.000 0.000 0.276 281 G HA3 0.223 4.183 3.960 -0.000 0.000 0.276 281 G C 0.215 175.187 174.900 0.120 0.000 1.337 281 G CA -0.397 44.812 45.100 0.180 0.000 1.030 281 G HN 0.231 nan 8.290 nan 0.000 0.534 282 R N -1.479 119.103 120.500 0.137 0.000 2.705 282 R HA 0.394 4.734 4.340 -0.000 0.000 0.246 282 R C 1.420 177.838 176.300 0.198 0.000 1.142 282 R CA -0.009 56.169 56.100 0.131 0.000 1.114 282 R CB 0.906 31.270 30.300 0.106 0.000 1.256 282 R HN 0.588 nan 8.270 nan 0.000 0.536 283 S N -1.723 114.083 115.700 0.177 0.000 2.535 283 S HA 0.072 4.542 4.470 -0.000 0.000 0.214 283 S C 0.545 175.338 174.600 0.322 0.000 0.980 283 S CA 0.110 58.442 58.200 0.219 0.000 0.907 283 S CB 0.057 63.330 63.200 0.122 0.000 0.790 283 S HN 0.631 nan 8.310 nan 0.000 0.510 284 S N 0.597 116.424 115.700 0.210 0.000 2.757 284 S HA 0.531 5.001 4.470 -0.000 0.000 0.285 284 S C -0.649 173.752 174.600 -0.331 0.000 1.196 284 S CA -0.259 57.827 58.200 -0.190 0.000 0.856 284 S CB 0.713 63.814 63.200 -0.166 0.000 1.212 284 S HN 0.472 nan 8.310 nan 0.000 0.516 285 T N -0.389 113.831 114.554 -0.557 0.000 3.281 285 T HA 0.491 4.841 4.350 -0.000 0.000 0.359 285 T C -0.264 174.270 174.700 -0.276 0.000 1.459 285 T CA -0.262 61.623 62.100 -0.358 0.000 1.114 285 T CB -0.292 68.362 68.868 -0.356 0.000 1.162 285 T HN 0.678 nan 8.240 nan 0.000 0.665 286 D N 2.273 122.538 120.400 -0.226 0.000 2.479 286 D HA 0.034 4.674 4.640 -0.000 0.000 0.221 286 D C 0.848 176.997 176.300 -0.253 0.000 1.104 286 D CA -0.316 53.571 54.000 -0.189 0.000 0.849 286 D CB 0.330 41.074 40.800 -0.094 0.000 1.072 286 D HN 0.448 nan 8.370 nan 0.000 0.502 287 R N 0.725 121.024 120.500 -0.336 0.000 2.886 287 R HA 0.310 4.650 4.340 -0.000 0.000 0.306 287 R C -0.602 175.228 176.300 -0.783 0.000 1.300 287 R CA -0.170 55.639 56.100 -0.484 0.000 1.441 287 R CB 0.939 31.040 30.300 -0.331 0.000 1.328 287 R HN 0.089 nan 8.270 nan 0.000 0.629 288 Q N 1.370 120.592 119.800 -0.964 0.000 2.347 288 Q HA 0.338 4.677 4.340 -0.000 0.000 0.265 288 Q C -1.209 174.178 176.000 -1.022 0.000 1.024 288 Q CA -0.449 54.867 55.803 -0.810 0.000 0.731 288 Q CB 1.762 30.273 28.738 -0.378 0.000 1.245 288 Q HN 0.136 nan 8.270 nan 0.000 0.472 289 F N 2.184 121.796 119.950 -0.563 0.000 2.467 289 F HA 0.540 5.066 4.527 -0.000 0.000 0.336 289 F C -0.405 174.991 175.800 -0.673 0.000 1.123 289 F CA -0.755 56.962 58.000 -0.471 0.000 0.964 289 F CB 0.921 39.808 39.000 -0.188 0.000 1.136 289 F HN 0.359 nan 8.300 nan 0.000 0.447 290 F N 2.866 122.605 119.950 -0.352 0.000 2.522 290 F HA 0.738 5.264 4.527 -0.000 0.000 0.324 290 F C -0.785 174.692 175.800 -0.538 0.000 1.077 290 F CA -1.102 56.755 58.000 -0.238 0.000 0.944 290 F CB 1.606 40.502 39.000 -0.173 0.000 1.175 290 F HN 0.158 nan 8.300 nan 0.000 0.468 291 F N 2.295 122.324 119.950 0.132 0.000 2.601 291 F HA 0.598 5.125 4.527 -0.000 0.000 0.309 291 F C -0.688 175.144 175.800 0.053 0.000 1.089 291 F CA -1.156 56.877 58.000 0.056 0.000 0.940 291 F CB 1.657 40.662 39.000 0.008 0.000 1.273 291 F HN 0.150 nan 8.300 nan 0.000 0.450 292 I N 2.939 123.643 120.570 0.224 0.000 2.382 292 I HA 0.280 4.449 4.170 -0.000 0.000 0.286 292 I C -0.537 175.666 176.117 0.143 0.000 1.002 292 I CA -0.704 60.689 61.300 0.155 0.000 1.135 292 I CB 1.172 39.235 38.000 0.106 0.000 1.288 292 I HN 0.619 nan 8.210 nan 0.000 0.448 293 N N 6.966 125.741 118.700 0.124 0.000 2.725 293 N HA -0.210 4.530 4.740 -0.000 0.000 0.251 293 N C 0.255 175.820 175.510 0.093 0.000 1.031 293 N CA 0.525 53.629 53.050 0.090 0.000 0.720 293 N CB -0.612 37.922 38.487 0.077 0.000 0.930 293 N HN 0.685 nan 8.380 nan 0.000 0.543 294 R N -2.899 117.659 120.500 0.097 0.000 3.951 294 R HA -0.223 4.117 4.340 -0.000 0.000 0.352 294 R C -0.352 176.064 176.300 0.194 0.000 1.178 294 R CA 1.039 57.181 56.100 0.069 0.000 0.949 294 R CB -1.534 28.780 30.300 0.023 0.000 1.452 294 R HN 0.504 nan 8.270 nan 0.000 0.540 295 R N 1.125 121.769 120.500 0.240 0.000 2.360 295 R HA 0.294 4.634 4.340 -0.000 0.000 0.318 295 R C -2.354 174.020 176.300 0.123 0.000 0.950 295 R CA -1.977 54.236 56.100 0.188 0.000 0.837 295 R CB 1.679 32.061 30.300 0.136 0.000 1.165 295 R HN -0.173 nan 8.270 nan 0.000 0.458 296 P HA -0.035 nan 4.420 nan 0.000 0.261 296 P C -0.220 176.949 177.300 -0.218 0.000 1.203 296 P CA -0.183 62.676 63.100 -0.402 0.000 0.767 296 P CB 0.254 31.615 31.700 -0.565 0.000 0.785 297 C N 1.199 120.380 119.300 -0.199 0.000 3.340 297 C HA 0.661 5.121 4.460 -0.000 0.000 0.333 297 C C -0.650 174.277 174.990 -0.105 0.000 1.464 297 C CA -0.730 58.226 59.018 -0.102 0.000 1.337 297 C CB 1.317 29.030 27.740 -0.046 0.000 1.740 297 C HN 0.380 nan 8.230 nan 0.000 0.450 298 D N 1.778 122.118 120.400 -0.101 0.000 2.502 298 D HA 0.436 5.076 4.640 -0.000 0.000 0.301 298 D C -2.246 173.939 176.300 -0.192 0.000 1.202 298 D CA -0.813 53.100 54.000 -0.144 0.000 0.878 298 D CB 0.619 41.347 40.800 -0.120 0.000 1.062 298 D HN 0.608 nan 8.370 nan 0.000 0.499 299 P HA 0.114 nan 4.420 nan 0.000 0.267 299 P C 0.813 177.928 177.300 -0.308 0.000 1.328 299 P CA -0.143 62.812 63.100 -0.241 0.000 0.990 299 P CB 1.391 32.949 31.700 -0.237 0.000 1.168 300 A N 5.783 128.479 122.820 -0.207 0.000 1.884 300 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 300 A C 2.111 179.592 177.584 -0.172 0.000 1.197 300 A CA 1.774 53.704 52.037 -0.179 0.000 0.637 300 A CB -0.810 18.125 19.000 -0.109 0.000 0.827 300 A HN 0.471 nan 8.150 nan 0.000 0.450 301 K N -0.719 119.600 120.400 -0.136 0.000 2.097 301 K HA -0.040 4.279 4.320 -0.000 0.000 0.206 301 K C 1.871 178.394 176.600 -0.128 0.000 1.049 301 K CA 1.303 57.531 56.287 -0.098 0.000 0.933 301 K CB -0.351 32.110 32.500 -0.065 0.000 0.717 301 K HN 0.328 nan 8.250 nan 0.000 0.442 302 V N 1.094 120.881 119.914 -0.212 0.000 2.358 302 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 302 V C 2.493 178.407 176.094 -0.300 0.000 1.047 302 V CA 1.516 63.672 62.300 -0.241 0.000 1.035 302 V CB -0.329 31.311 31.823 -0.305 0.000 0.658 302 V HN 0.526 nan 8.190 nan 0.000 0.452 303 C N 0.699 119.690 119.300 -0.515 0.000 2.432 303 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 303 C C 3.033 177.943 174.990 -0.133 0.000 1.249 303 C CA 1.286 60.005 59.018 -0.498 0.000 1.725 303 C CB -1.017 26.390 27.740 -0.556 0.000 2.028 303 C HN 0.543 nan 8.230 nan 0.000 0.477 304 R N 0.038 120.478 120.500 -0.100 0.000 2.083 304 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 304 R C 2.097 178.418 176.300 0.034 0.000 1.137 304 R CA 1.770 57.864 56.100 -0.009 0.000 0.951 304 R CB -0.845 29.453 30.300 -0.004 0.000 0.851 304 R HN 0.507 nan 8.270 nan 0.000 0.434 305 L N 1.007 122.248 121.223 0.031 0.000 1.989 305 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 305 L C 2.159 179.101 176.870 0.120 0.000 1.071 305 L CA 1.668 56.559 54.840 0.085 0.000 0.749 305 L CB -0.484 41.624 42.059 0.082 0.000 0.890 305 L HN -0.052 nan 8.230 nan 0.000 0.431 306 V N 0.280 120.267 119.914 0.122 0.000 2.233 306 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 306 V C 2.393 178.592 176.094 0.175 0.000 1.050 306 V CA 2.189 64.606 62.300 0.195 0.000 1.010 306 V CB -0.986 30.999 31.823 0.270 0.000 0.637 306 V HN 0.548 nan 8.190 nan 0.000 0.444 307 N N -0.309 118.450 118.700 0.098 0.000 2.348 307 N HA -0.203 4.536 4.740 -0.000 0.000 0.185 307 N C 1.914 177.309 175.510 -0.192 0.000 1.019 307 N CA 1.616 54.644 53.050 -0.037 0.000 0.880 307 N CB -0.037 38.464 38.487 0.024 0.000 0.965 307 N HN 0.752 nan 8.380 nan 0.000 0.437 308 E N 0.488 120.701 120.200 0.023 0.000 2.086 308 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 308 E C 1.768 178.470 176.600 0.170 0.000 0.975 308 E CA 0.404 56.859 56.400 0.093 0.000 0.813 308 E CB 0.210 29.982 29.700 0.120 0.000 0.768 308 E HN -0.058 nan 8.360 nan 0.000 0.457 309 V N 0.944 120.995 119.914 0.229 0.000 2.490 309 V HA -0.226 3.893 4.120 -0.000 0.000 0.250 309 V C 2.076 178.435 176.094 0.442 0.000 1.061 309 V CA 1.784 64.285 62.300 0.334 0.000 1.064 309 V CB -0.710 31.316 31.823 0.340 0.000 0.670 309 V HN 0.401 nan 8.190 nan 0.000 0.461 310 Y N 0.878 121.308 120.300 0.217 0.000 2.200 310 Y HA -0.224 4.326 4.550 -0.000 0.000 0.290 310 Y C 2.554 178.504 175.900 0.083 0.000 1.137 310 Y CA 1.958 60.096 58.100 0.064 0.000 1.163 310 Y CB -0.483 37.961 38.460 -0.027 0.000 0.988 310 Y HN 0.389 nan 8.280 nan 0.000 0.518 311 H N -1.091 118.044 119.070 0.108 0.000 2.456 311 H HA -0.160 4.396 4.556 -0.000 0.000 0.296 311 H C 1.971 177.244 175.328 -0.091 0.000 1.079 311 H CA 1.144 57.164 56.048 -0.046 0.000 1.322 311 H CB -0.134 29.620 29.762 -0.014 0.000 1.388 311 H HN 0.369 nan 8.280 nan 0.000 0.538 312 M N -0.247 119.424 119.600 0.118 0.000 2.539 312 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 312 M C 0.781 176.899 176.300 -0.303 0.000 1.069 312 M CA 1.483 56.748 55.300 -0.057 0.000 1.081 312 M CB 0.150 32.742 32.600 -0.013 0.000 1.412 312 M HN 0.365 nan 8.290 nan 0.000 0.482 313 Y N -1.801 118.365 120.300 -0.222 0.000 2.664 313 Y HA 0.260 4.810 4.550 -0.000 0.000 0.278 313 Y C 0.970 176.660 175.900 -0.349 0.000 1.130 313 Y CA -0.314 57.606 58.100 -0.300 0.000 1.260 313 Y CB 0.458 38.653 38.460 -0.443 0.000 1.369 313 Y HN 0.064 nan 8.280 nan 0.000 0.499 314 N N 0.936 119.441 118.700 -0.325 0.000 2.524 314 N HA 0.203 4.943 4.740 -0.000 0.000 0.261 314 N C 0.239 175.653 175.510 -0.161 0.000 0.998 314 N CA -0.053 52.830 53.050 -0.278 0.000 0.915 314 N CB 1.108 39.301 38.487 -0.491 0.000 1.187 314 N HN 0.218 nan 8.380 nan 0.000 0.507 315 R N 0.973 121.348 120.500 -0.209 0.000 2.119 315 R HA 0.057 4.397 4.340 -0.000 0.000 0.222 315 R C 0.180 176.140 176.300 -0.566 0.000 1.088 315 R CA 0.841 56.693 56.100 -0.414 0.000 0.984 315 R CB 0.202 30.178 30.300 -0.541 0.000 0.884 315 R HN 0.546 nan 8.270 nan 0.000 0.447 316 H N 0.390 119.387 119.070 -0.123 0.000 2.539 316 H HA 0.359 4.914 4.556 -0.000 0.000 0.293 316 H C -0.363 174.913 175.328 -0.087 0.000 1.156 316 H CA 0.065 56.034 56.048 -0.131 0.000 1.012 316 H CB 0.376 30.106 29.762 -0.053 0.000 1.600 316 H HN 0.187 nan 8.280 nan 0.000 0.538 317 Q N 0.134 119.934 119.800 0.000 0.000 2.472 317 Q HA 0.298 4.638 4.340 -0.000 0.000 0.281 317 Q C -1.456 174.637 176.000 0.155 0.000 0.997 317 Q CA -0.774 55.094 55.803 0.110 0.000 0.828 317 Q CB 2.634 31.510 28.738 0.230 0.000 1.443 317 Q HN 0.210 nan 8.270 nan 0.000 0.390 318 Y N 1.049 121.506 120.300 0.263 0.000 2.420 318 Y HA 0.492 5.042 4.550 -0.000 0.000 0.334 318 Y C -2.099 173.686 175.900 -0.192 0.000 1.094 318 Y CA -1.992 56.163 58.100 0.092 0.000 1.126 318 Y CB 1.186 39.681 38.460 0.058 0.000 1.217 318 Y HN 0.347 nan 8.280 nan 0.000 0.462 319 P HA 0.131 nan 4.420 nan 0.000 0.282 319 P C -0.985 176.218 177.300 -0.162 0.000 1.259 319 P CA -0.421 62.318 63.100 -0.603 0.000 0.826 319 P CB 1.238 32.254 31.700 -1.140 0.000 1.064 320 F N 2.437 122.279 119.950 -0.180 0.000 2.456 320 F HA 0.360 4.887 4.527 -0.000 0.000 0.358 320 F C -0.931 174.826 175.800 -0.072 0.000 1.095 320 F CA 0.190 58.126 58.000 -0.107 0.000 1.216 320 F CB 0.485 39.445 39.000 -0.067 0.000 1.125 320 F HN 0.008 nan 8.300 nan 0.000 0.549 321 V N 6.534 126.099 119.914 -0.582 0.000 2.686 321 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 321 V C -1.105 174.742 176.094 -0.412 0.000 1.065 321 V CA -0.866 61.213 62.300 -0.368 0.000 0.894 321 V CB 1.812 33.379 31.823 -0.427 0.000 1.004 321 V HN 0.619 nan 8.190 nan 0.000 0.424 322 V N 5.875 125.745 119.914 -0.073 0.000 2.462 322 V HA 0.536 4.656 4.120 -0.000 0.000 0.288 322 V C -1.055 175.073 176.094 0.056 0.000 1.020 322 V CA -0.288 62.075 62.300 0.105 0.000 0.857 322 V CB 1.609 33.635 31.823 0.339 0.000 1.013 322 V HN 0.646 nan 8.190 nan 0.000 0.431 323 L N 4.867 126.078 121.223 -0.021 0.000 2.438 323 L HA 0.661 5.001 4.340 -0.000 0.000 0.270 323 L C -0.643 176.311 176.870 0.141 0.000 0.972 323 L CA -0.132 54.678 54.840 -0.050 0.000 0.831 323 L CB 2.151 44.119 42.059 -0.152 0.000 1.273 323 L HN 0.667 nan 8.230 nan 0.000 0.405 324 N N 4.543 123.263 118.700 0.034 0.000 2.372 324 N HA 0.551 5.290 4.740 -0.000 0.000 0.291 324 N C -1.375 174.159 175.510 0.041 0.000 1.024 324 N CA -0.370 52.733 53.050 0.089 0.000 0.873 324 N CB 1.257 39.724 38.487 -0.034 0.000 1.206 324 N HN 0.566 nan 8.380 nan 0.000 0.486 325 I N 2.204 122.835 120.570 0.102 0.000 2.337 325 I HA 0.179 4.349 4.170 -0.000 0.000 0.285 325 I C 0.103 176.313 176.117 0.155 0.000 1.041 325 I CA -0.592 60.769 61.300 0.102 0.000 1.199 325 I CB 1.144 39.196 38.000 0.086 0.000 1.370 325 I HN 0.460 nan 8.210 nan 0.000 0.470 326 S N 5.419 121.224 115.700 0.174 0.000 2.499 326 S HA 0.541 5.010 4.470 -0.000 0.000 0.275 326 S C -0.513 174.209 174.600 0.204 0.000 1.257 326 S CA -0.297 58.000 58.200 0.162 0.000 1.050 326 S CB 0.854 64.138 63.200 0.140 0.000 0.937 326 S HN 0.431 nan 8.310 nan 0.000 0.490 327 V N 4.236 124.228 119.914 0.130 0.000 3.188 327 V HA 0.436 4.555 4.120 -0.000 0.000 0.305 327 V C -1.189 174.914 176.094 0.015 0.000 1.232 327 V CA -1.028 61.314 62.300 0.071 0.000 1.043 327 V CB 2.218 34.121 31.823 0.135 0.000 1.068 327 V HN 0.918 nan 8.190 nan 0.000 0.439 328 D N 2.056 122.433 120.400 -0.038 0.000 2.383 328 D HA 0.097 4.737 4.640 -0.000 0.000 0.252 328 D C 1.277 177.577 176.300 0.001 0.000 1.166 328 D CA 0.745 54.728 54.000 -0.029 0.000 0.879 328 D CB 1.871 42.639 40.800 -0.053 0.000 1.164 328 D HN 0.785 nan 8.370 nan 0.000 0.462 329 S N 2.536 118.244 115.700 0.012 0.000 2.500 329 S HA -0.191 4.278 4.470 -0.000 0.000 0.239 329 S C 1.336 175.951 174.600 0.025 0.000 0.989 329 S CA 0.711 58.927 58.200 0.026 0.000 0.951 329 S CB -0.047 63.168 63.200 0.025 0.000 0.759 329 S HN 0.687 nan 8.310 nan 0.000 0.523 330 E N -0.339 119.872 120.200 0.018 0.000 2.502 330 E HA 0.071 4.420 4.350 -0.000 0.000 0.194 330 E C 0.140 176.756 176.600 0.027 0.000 1.062 330 E CA 0.331 56.743 56.400 0.021 0.000 0.867 330 E CB -0.033 29.677 29.700 0.018 0.000 0.888 330 E HN 0.664 nan 8.360 nan 0.000 0.510 331 C N 0.575 119.893 119.300 0.030 0.000 2.884 331 C HA 0.360 4.820 4.460 -0.000 0.000 0.287 331 C C 0.135 175.162 174.990 0.062 0.000 1.310 331 C CA -0.618 58.426 59.018 0.043 0.000 1.725 331 C CB -0.296 27.459 27.740 0.026 0.000 2.060 331 C HN 0.039 nan 8.230 nan 0.000 0.618 332 V N 2.152 122.098 119.914 0.053 0.000 2.495 332 V HA 0.475 4.594 4.120 -0.000 0.000 0.298 332 V C -0.794 175.324 176.094 0.039 0.000 1.031 332 V CA -0.059 62.274 62.300 0.054 0.000 0.871 332 V CB 1.822 33.680 31.823 0.058 0.000 0.988 332 V HN 0.294 nan 8.190 nan 0.000 0.432 333 D N 3.532 123.953 120.400 0.034 0.000 2.467 333 D HA 0.678 5.318 4.640 -0.000 0.000 0.245 333 D C -0.608 175.704 176.300 0.021 0.000 1.038 333 D CA -0.344 53.672 54.000 0.025 0.000 1.038 333 D CB 2.757 43.570 40.800 0.022 0.000 1.278 333 D HN 0.259 nan 8.370 nan 0.000 0.564 334 I N 0.475 121.055 120.570 0.016 0.000 2.828 334 I HA 0.376 4.546 4.170 -0.000 0.000 0.302 334 I C -0.393 175.729 176.117 0.008 0.000 1.101 334 I CA -0.660 60.647 61.300 0.012 0.000 1.031 334 I CB 2.360 40.368 38.000 0.013 0.000 1.231 334 I HN 0.225 nan 8.210 nan 0.000 0.427 343 I N 2.321 122.880 120.570 -0.019 0.000 2.465 343 I HA 0.452 4.622 4.170 -0.000 0.000 0.291 343 I C -0.901 175.213 176.117 -0.004 0.000 1.014 343 I CA -0.926 60.369 61.300 -0.009 0.000 1.093 343 I CB 1.879 39.870 38.000 -0.016 0.000 1.267 343 I HN 0.514 nan 8.210 nan 0.000 0.431 344 L N 7.105 128.335 121.223 0.011 0.000 2.305 344 L HA 0.556 4.895 4.340 -0.000 0.000 0.284 344 L C -0.876 176.019 176.870 0.042 0.000 1.013 344 L CA -0.532 54.320 54.840 0.020 0.000 0.819 344 L CB 1.496 43.567 42.059 0.020 0.000 1.227 344 L HN 0.394 nan 8.230 nan 0.000 0.417 345 L N 3.449 124.705 121.223 0.054 0.000 2.305 345 L HA 0.294 4.634 4.340 -0.000 0.000 0.284 345 L C 0.860 177.806 176.870 0.127 0.000 1.013 345 L CA -0.667 54.240 54.840 0.113 0.000 0.819 345 L CB 1.854 43.986 42.059 0.121 0.000 1.227 345 L HN 0.591 nan 8.230 nan 0.000 0.417 346 Q N 1.503 121.381 119.800 0.130 0.000 2.268 346 Q HA -0.137 4.203 4.340 -0.000 0.000 0.210 346 Q C -0.235 175.846 176.000 0.134 0.000 0.988 346 Q CA 1.469 57.337 55.803 0.109 0.000 0.883 346 Q CB -0.014 28.775 28.738 0.084 0.000 0.911 346 Q HN 0.528 nan 8.270 nan 0.000 0.430 347 E N -0.700 119.640 120.200 0.234 0.000 2.731 347 E HA 0.145 4.494 4.350 -0.000 0.000 0.248 347 E C -0.191 176.538 176.600 0.216 0.000 1.084 347 E CA -0.102 56.439 56.400 0.235 0.000 0.776 347 E CB 0.956 30.829 29.700 0.289 0.000 1.404 347 E HN 0.144 nan 8.360 nan 0.000 0.395 348 E N 1.909 122.138 120.200 0.048 0.000 2.140 348 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 348 E C 1.215 177.703 176.600 -0.187 0.000 0.973 348 E CA 0.550 56.898 56.400 -0.087 0.000 0.829 348 E CB 0.405 30.071 29.700 -0.057 0.000 0.781 348 E HN 0.254 nan 8.360 nan 0.000 0.466 349 K N 0.727 121.044 120.400 -0.138 0.000 2.063 349 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 349 K C 2.235 178.618 176.600 -0.362 0.000 1.048 349 K CA 0.842 56.964 56.287 -0.276 0.000 0.928 349 K CB -0.295 32.158 32.500 -0.077 0.000 0.713 349 K HN 0.084 nan 8.250 nan 0.000 0.442 350 L N 1.704 122.847 121.223 -0.133 0.000 2.046 350 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 350 L C 2.210 178.985 176.870 -0.159 0.000 1.077 350 L CA 1.267 56.072 54.840 -0.058 0.000 0.747 350 L CB -0.655 41.492 42.059 0.147 0.000 0.896 350 L HN 0.111 nan 8.230 nan 0.000 0.432 351 L N -0.906 120.112 121.223 -0.341 0.000 2.017 351 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 351 L C 2.309 178.943 176.870 -0.393 0.000 1.073 351 L CA 1.797 56.255 54.840 -0.635 0.000 0.745 351 L CB -0.718 40.641 42.059 -1.167 0.000 0.894 351 L HN 0.276 nan 8.230 nan 0.000 0.432 352 L N -0.347 120.627 121.223 -0.415 0.000 2.042 352 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 352 L C 2.732 179.395 176.870 -0.345 0.000 1.076 352 L CA 1.320 55.936 54.840 -0.374 0.000 0.749 352 L CB -1.171 40.581 42.059 -0.512 0.000 0.893 352 L HN 0.426 nan 8.230 nan 0.000 0.432 353 A N -0.168 122.339 122.820 -0.522 0.000 1.883 353 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 353 A C 2.348 179.904 177.584 -0.047 0.000 1.186 353 A CA 1.961 53.869 52.037 -0.215 0.000 0.624 353 A CB -0.883 18.013 19.000 -0.173 0.000 0.822 353 A HN 0.199 nan 8.150 nan 0.000 0.444 354 V N 0.014 119.883 119.914 -0.074 0.000 2.343 354 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 354 V C 2.570 178.691 176.094 0.045 0.000 1.051 354 V CA 1.887 64.181 62.300 -0.010 0.000 1.036 354 V CB -0.748 31.070 31.823 -0.009 0.000 0.654 354 V HN 0.556 nan 8.190 nan 0.000 0.451 355 L N -0.221 121.024 121.223 0.036 0.000 1.976 355 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 355 L C 2.625 179.571 176.870 0.128 0.000 1.071 355 L CA 2.269 57.194 54.840 0.142 0.000 0.746 355 L CB -0.621 41.474 42.059 0.060 0.000 0.890 355 L HN 0.298 nan 8.230 nan 0.000 0.432 356 K N -0.537 119.927 120.400 0.106 0.000 2.032 356 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 356 K C 2.014 178.661 176.600 0.078 0.000 1.048 356 K CA 2.094 58.459 56.287 0.130 0.000 0.927 356 K CB -0.131 32.491 32.500 0.203 0.000 0.712 356 K HN 0.207 nan 8.250 nan 0.000 0.441 357 T N 0.506 115.096 114.554 0.060 0.000 2.635 357 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 357 T C 2.006 176.672 174.700 -0.057 0.000 1.040 357 T CA 1.876 63.987 62.100 0.019 0.000 1.156 357 T CB -0.324 68.553 68.868 0.015 0.000 0.863 357 T HN 0.274 nan 8.240 nan 0.000 0.430 358 S N 1.331 116.971 115.700 -0.099 0.000 2.359 358 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 358 S C 2.076 176.438 174.600 -0.398 0.000 1.035 358 S CA 0.971 59.001 58.200 -0.282 0.000 1.018 358 S CB -0.529 62.440 63.200 -0.386 0.000 0.876 358 S HN 0.343 nan 8.310 nan 0.000 0.448 359 L N 0.867 121.914 121.223 -0.293 0.000 2.046 359 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 359 L C 2.234 178.815 176.870 -0.482 0.000 1.077 359 L CA 1.071 55.624 54.840 -0.479 0.000 0.747 359 L CB -0.565 41.385 42.059 -0.183 0.000 0.896 359 L HN 0.299 nan 8.230 nan 0.000 0.432 360 I N -0.150 120.335 120.570 -0.142 0.000 2.226 360 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 360 I C 2.552 178.634 176.117 -0.058 0.000 1.100 360 I CA 1.504 62.813 61.300 0.016 0.000 1.374 360 I CB -0.755 37.316 38.000 0.119 0.000 1.057 360 I HN 0.283 nan 8.210 nan 0.000 0.413 361 G N 0.326 109.049 108.800 -0.129 0.000 2.443 361 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 361 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 361 G C 1.702 176.500 174.900 -0.170 0.000 1.131 361 G CA 0.345 45.373 45.100 -0.120 0.000 0.775 361 G HN 0.242 nan 8.290 nan 0.000 0.547 362 M N -0.416 118.992 119.600 -0.321 0.000 2.193 362 M HA 0.193 4.673 4.480 -0.000 0.000 0.265 362 M C 2.001 178.198 176.300 -0.172 0.000 1.071 362 M CA 0.804 55.912 55.300 -0.321 0.000 1.140 362 M CB -0.168 32.115 32.600 -0.528 0.000 1.369 362 M HN 0.107 nan 8.290 nan 0.000 0.423 363 F N 0.869 120.660 119.950 -0.264 0.000 2.407 363 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 363 F C 1.190 176.846 175.800 -0.240 0.000 1.097 363 F CA -0.009 57.730 58.000 -0.436 0.000 1.422 363 F CB -0.956 37.350 39.000 -1.157 0.000 1.067 363 F HN 0.075 nan 8.300 nan 0.000 0.539 364 D N 0.000 120.459 120.400 0.098 0.000 6.856 364 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 364 D CA 0.000 54.108 54.000 0.180 0.000 0.868 364 D CB 0.000 40.898 40.800 0.164 0.000 0.688 364 D HN 0.000 nan 8.370 nan 0.000 0.683