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 1m1t_1_C DATA FIRST_RESID 1 DATA SEQUENCE STPSIVIASA ARTAVGSFNG AFANTPAHEL GATVISAVLE RAGVAAGEVN DATA SEQUENCE EVILGQVLPA GEGANPARQA AMKAGVPQEA TAWGMNQLCG SGLRAVALGM DATA SEQUENCE QQIATGDASI IVAGGMESMS MAPHCAHLRG GVKMGDFKMI DTMIKDGLTD DATA SEQUENCE AFYGYHMGTT AENVAKQWQL SRDEQDAFAV ASQNKAEAAQ KDGRFKDEIV DATA SEQUENCE PFIVKGRKGD ITVDADEYIR HGATLDSMAK LRPAFDKEGT VTAGNASGLN DATA SEQUENCE DGAAAALLMS EAEASRRGIQ PLGRIVSWAT VGVDPKVMGT GPIPASRKAL DATA SEQUENCE ERAGWKIGDL DLVEANEAFA AQACAVNKDL GWDPSIVNVN GGAIAIGHPI DATA SEQUENCE GASGARILNT LLFEMKRRGA RKGLATLCIG GGMGVAMCIE SL 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.607 174.600 0.012 0.000 1.055 1 S CA 0.000 58.206 58.200 0.011 0.000 1.107 1 S CB 0.000 63.207 63.200 0.011 0.000 0.593 2 T N 4.450 119.011 114.554 0.012 0.000 3.053 2 T HA 0.470 4.821 4.350 0.001 0.000 0.363 2 T C -1.132 173.578 174.700 0.016 0.000 1.239 2 T CA -1.030 61.078 62.100 0.013 0.000 1.071 2 T CB 0.786 69.661 68.868 0.012 0.000 1.089 2 T HN 0.585 nan 8.240 nan 0.000 0.527 3 P HA -0.205 nan 4.420 nan 0.000 0.216 3 P C 0.222 177.533 177.300 0.018 0.000 1.062 3 P CA 1.113 64.224 63.100 0.019 0.000 0.995 3 P CB -0.132 31.582 31.700 0.024 0.000 0.762 4 S N -2.029 113.683 115.700 0.020 0.000 3.393 4 S HA -0.090 4.380 4.470 0.001 0.000 0.655 4 S C -0.399 174.212 174.600 0.018 0.000 0.634 4 S CA -0.279 57.933 58.200 0.020 0.000 1.428 4 S CB -1.297 61.914 63.200 0.019 0.000 0.998 4 S HN 0.177 nan 8.310 nan 0.000 0.915 5 I N 5.893 126.473 120.570 0.018 0.000 2.412 5 I HA 0.612 4.783 4.170 0.001 0.000 0.296 5 I C 0.734 176.857 176.117 0.010 0.000 0.987 5 I CA -0.670 60.638 61.300 0.012 0.000 1.180 5 I CB 1.502 39.508 38.000 0.010 0.000 1.340 5 I HN 0.575 nan 8.210 nan 0.000 0.455 6 V N 4.343 124.259 119.914 0.004 0.000 2.815 6 V HA 0.600 4.721 4.120 0.001 0.000 0.314 6 V C -0.069 176.019 176.094 -0.010 0.000 1.064 6 V CA -0.851 61.449 62.300 -0.000 0.000 0.952 6 V CB 2.173 33.996 31.823 -0.000 0.000 1.020 6 V HN 0.476 nan 8.190 nan 0.000 0.439 7 I N 3.869 124.428 120.570 -0.018 0.000 2.278 7 I HA 0.327 4.498 4.170 0.001 0.000 0.296 7 I C 1.647 177.742 176.117 -0.036 0.000 1.121 7 I CA 0.135 61.417 61.300 -0.029 0.000 1.267 7 I CB 1.028 39.003 38.000 -0.041 0.000 1.447 7 I HN 0.926 nan 8.210 nan 0.000 0.509 8 A N 5.063 127.868 122.820 -0.024 0.000 1.902 8 A HA -0.075 4.246 4.320 0.001 0.000 0.217 8 A C 1.122 178.690 177.584 -0.027 0.000 1.181 8 A CA 1.721 53.746 52.037 -0.020 0.000 0.623 8 A CB -0.149 18.846 19.000 -0.008 0.000 0.818 8 A HN 0.721 nan 8.150 nan 0.000 0.443 9 S N -3.992 111.695 115.700 -0.021 0.000 2.643 9 S HA 0.774 5.245 4.470 0.001 0.000 0.270 9 S C -0.733 173.877 174.600 0.018 0.000 1.166 9 S CA -0.153 58.046 58.200 -0.002 0.000 0.815 9 S CB 1.194 64.417 63.200 0.037 0.000 1.139 9 S HN 1.820 nan 8.310 nan 0.000 0.472 10 A N -0.213 122.667 122.820 0.099 0.000 2.605 10 A HA 0.993 5.313 4.320 0.001 0.000 0.294 10 A C -0.867 176.907 177.584 0.317 0.000 1.062 10 A CA -0.355 51.785 52.037 0.171 0.000 0.682 10 A CB 0.759 19.840 19.000 0.136 0.000 1.278 10 A HN 2.420 nan 8.150 nan 0.000 0.410 11 A N 0.865 123.810 122.820 0.207 0.000 2.605 11 A HA 0.882 5.203 4.320 0.001 0.000 0.294 11 A C -0.793 176.833 177.584 0.070 0.000 1.062 11 A CA -0.260 51.855 52.037 0.130 0.000 0.682 11 A CB 1.234 20.281 19.000 0.079 0.000 1.278 11 A HN 1.890 nan 8.150 nan 0.000 0.410 12 R N -0.037 120.479 120.500 0.026 0.000 2.744 12 R HA 0.770 5.111 4.340 0.001 0.000 0.279 12 R C -0.090 176.214 176.300 0.008 0.000 0.977 12 R CA 0.009 56.116 56.100 0.011 0.000 0.906 12 R CB 1.320 31.624 30.300 0.006 0.000 1.197 12 R HN 0.937 nan 8.270 nan 0.000 0.463 13 T N -0.159 114.397 114.554 0.004 0.000 2.855 13 T HA 0.336 4.687 4.350 0.001 0.000 0.314 13 T C 0.933 175.670 174.700 0.063 0.000 1.077 13 T CA -0.184 61.940 62.100 0.039 0.000 1.095 13 T CB 0.655 69.492 68.868 -0.053 0.000 0.987 13 T HN 0.783 nan 8.240 nan 0.000 0.546 14 A N 1.543 124.439 122.820 0.126 0.000 2.521 14 A HA 0.423 4.744 4.320 0.001 0.000 0.237 14 A C 0.411 178.077 177.584 0.137 0.000 1.087 14 A CA -0.564 51.531 52.037 0.097 0.000 0.777 14 A CB -0.248 18.816 19.000 0.108 0.000 1.035 14 A HN 0.946 nan 8.150 nan 0.000 0.510 15 V N 1.803 121.732 119.914 0.025 0.000 2.364 15 V HA 0.494 4.614 4.120 0.001 0.000 0.272 15 V C 1.079 177.149 176.094 -0.040 0.000 1.036 15 V CA 0.092 62.405 62.300 0.021 0.000 0.880 15 V CB 0.674 32.480 31.823 -0.029 0.000 0.991 15 V HN 1.112 nan 8.190 nan 0.000 0.460 16 G N 3.325 112.085 108.800 -0.067 0.000 2.420 16 G HA2 0.417 4.378 3.960 0.001 0.000 0.284 16 G HA3 0.417 4.378 3.960 0.001 0.000 0.284 16 G C 0.033 174.874 174.900 -0.098 0.000 1.177 16 G CA -0.263 44.679 45.100 -0.263 0.000 0.841 16 G HN 0.626 nan 8.290 nan 0.000 0.527 17 S N 0.184 115.842 115.700 -0.070 0.000 2.580 17 S HA 0.224 4.695 4.470 0.001 0.000 0.274 17 S C -0.002 174.638 174.600 0.067 0.000 1.329 17 S CA -0.427 57.799 58.200 0.044 0.000 1.036 17 S CB 0.635 63.917 63.200 0.136 0.000 0.919 17 S HN 0.429 nan 8.310 nan 0.000 0.515 18 F N 3.933 123.848 119.950 -0.057 0.000 2.580 18 F HA -0.037 4.491 4.527 0.001 0.000 0.398 18 F C 1.080 176.878 175.800 -0.003 0.000 1.023 18 F CA 0.079 58.061 58.000 -0.030 0.000 1.188 18 F CB -0.631 38.359 39.000 -0.016 0.000 1.005 18 F HN 0.651 nan 8.300 nan 0.000 0.546 19 N N 2.737 121.155 118.700 -0.471 0.000 2.725 19 N HA -0.197 4.543 4.740 0.001 0.000 0.249 19 N C 0.353 175.759 175.510 -0.172 0.000 1.103 19 N CA 0.950 53.760 53.050 -0.399 0.000 0.707 19 N CB -1.318 36.849 38.487 -0.534 0.000 1.043 19 N HN 0.827 nan 8.380 nan 0.000 0.553 20 G N -0.379 108.350 108.800 -0.118 0.000 3.441 20 G HA2 0.584 4.544 3.960 0.001 0.000 0.195 20 G HA3 0.584 4.544 3.960 0.001 0.000 0.195 20 G C 1.110 175.934 174.900 -0.127 0.000 1.633 20 G CA 0.452 45.491 45.100 -0.102 0.000 0.895 20 G HN 0.288 nan 8.290 nan 0.000 0.654 21 A N -0.594 122.080 122.820 -0.243 0.000 1.978 21 A HA 0.119 4.439 4.320 0.001 0.000 0.220 21 A C 1.424 178.926 177.584 -0.137 0.000 1.170 21 A CA 1.442 53.295 52.037 -0.307 0.000 0.636 21 A CB -0.452 18.194 19.000 -0.591 0.000 0.810 21 A HN 0.338 nan 8.150 nan 0.000 0.448 22 F N -1.011 118.911 119.950 -0.046 0.000 2.772 22 F HA 0.512 5.039 4.527 0.001 0.000 0.302 22 F C 1.904 177.655 175.800 -0.082 0.000 1.136 22 F CA -0.948 57.004 58.000 -0.080 0.000 1.322 22 F CB -1.003 37.905 39.000 -0.153 0.000 0.967 22 F HN 0.209 nan 8.300 nan 0.000 0.513 23 A N 0.474 123.326 122.820 0.053 0.000 1.997 23 A HA -0.227 4.094 4.320 0.001 0.000 0.221 23 A C 1.902 179.480 177.584 -0.010 0.000 1.172 23 A CA 1.999 54.019 52.037 -0.029 0.000 0.645 23 A CB -0.369 18.591 19.000 -0.067 0.000 0.813 23 A HN 0.404 nan 8.150 nan 0.000 0.454 24 N N -0.917 117.800 118.700 0.028 0.000 2.235 24 N HA 0.064 4.804 4.740 0.001 0.000 0.231 24 N C -0.836 174.686 175.510 0.021 0.000 1.177 24 N CA 0.124 53.186 53.050 0.020 0.000 0.874 24 N CB 0.764 39.264 38.487 0.022 0.000 1.097 24 N HN 0.232 nan 8.380 nan 0.000 0.518 25 T N 2.846 117.410 114.554 0.017 0.000 2.733 25 T HA 0.321 4.672 4.350 0.001 0.000 0.294 25 T C -2.480 172.140 174.700 -0.134 0.000 0.956 25 T CA -1.213 60.849 62.100 -0.062 0.000 0.987 25 T CB 1.866 70.632 68.868 -0.169 0.000 0.920 25 T HN -0.022 nan 8.240 nan 0.000 0.470 26 P HA 0.195 nan 4.420 nan 0.000 0.269 26 P C 0.605 177.753 177.300 -0.252 0.000 1.209 26 P CA -0.255 62.754 63.100 -0.152 0.000 0.776 26 P CB 0.515 32.124 31.700 -0.151 0.000 0.876 27 A N 3.391 126.129 122.820 -0.136 0.000 1.892 27 A HA -0.258 4.063 4.320 0.001 0.000 0.218 27 A C 1.980 179.470 177.584 -0.158 0.000 1.188 27 A CA 1.973 53.926 52.037 -0.140 0.000 0.631 27 A CB -1.847 17.123 19.000 -0.049 0.000 0.822 27 A HN 0.812 nan 8.150 nan 0.000 0.447 28 H N -0.793 118.229 119.070 -0.080 0.000 2.456 28 H HA -0.031 4.526 4.556 0.001 0.000 0.296 28 H C 1.515 176.817 175.328 -0.044 0.000 1.079 28 H CA 1.389 57.402 56.048 -0.058 0.000 1.322 28 H CB -0.403 29.338 29.762 -0.034 0.000 1.388 28 H HN 0.646 nan 8.280 nan 0.000 0.538 29 E N 1.028 120.881 120.200 -0.579 0.000 2.072 29 E HA -0.063 4.288 4.350 0.001 0.000 0.191 29 E C 2.637 179.183 176.600 -0.090 0.000 0.985 29 E CA 0.901 57.137 56.400 -0.273 0.000 0.801 29 E CB 0.081 29.637 29.700 -0.239 0.000 0.750 29 E HN 0.445 nan 8.360 nan 0.000 0.452 30 L N 0.475 121.445 121.223 -0.422 0.000 2.083 30 L HA -0.099 4.241 4.340 0.001 0.000 0.209 30 L C 2.592 179.341 176.870 -0.201 0.000 1.083 30 L CA 1.170 55.675 54.840 -0.559 0.000 0.752 30 L CB -0.695 40.925 42.059 -0.730 0.000 0.899 30 L HN 0.213 nan 8.230 nan 0.000 0.433 31 G N -0.302 108.415 108.800 -0.139 0.000 2.402 31 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 31 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 31 G C 1.795 176.688 174.900 -0.011 0.000 1.162 31 G CA 0.773 45.836 45.100 -0.061 0.000 0.777 31 G HN 0.449 nan 8.290 nan 0.000 0.539 32 A N 0.205 123.037 122.820 0.020 0.000 1.902 32 A HA -0.007 4.313 4.320 0.001 0.000 0.217 32 A C 2.505 180.116 177.584 0.043 0.000 1.181 32 A CA 2.404 54.466 52.037 0.043 0.000 0.623 32 A CB -0.975 18.065 19.000 0.066 0.000 0.818 32 A HN 0.283 nan 8.150 nan 0.000 0.443 33 T N -0.405 114.198 114.554 0.081 0.000 2.720 33 T HA -0.130 4.220 4.350 0.001 0.000 0.268 33 T C 1.850 176.582 174.700 0.055 0.000 1.037 33 T CA 1.685 63.839 62.100 0.090 0.000 1.144 33 T CB -0.349 68.666 68.868 0.244 0.000 0.864 33 T HN 0.157 nan 8.240 nan 0.000 0.444 34 V N 0.966 120.901 119.914 0.036 0.000 2.453 34 V HA -0.069 4.051 4.120 0.001 0.000 0.247 34 V C 2.324 178.428 176.094 0.016 0.000 1.048 34 V CA 1.225 63.537 62.300 0.020 0.000 1.049 34 V CB -0.481 31.340 31.823 -0.004 0.000 0.672 34 V HN 0.482 nan 8.190 nan 0.000 0.457 35 I N -0.039 120.536 120.570 0.008 0.000 2.179 35 I HA -0.223 3.948 4.170 0.001 0.000 0.242 35 I C 2.524 178.646 176.117 0.009 0.000 1.088 35 I CA 1.698 62.999 61.300 0.002 0.000 1.357 35 I CB -0.336 37.662 38.000 -0.002 0.000 1.051 35 I HN 0.265 nan 8.210 nan 0.000 0.409 36 S N 0.702 116.410 115.700 0.013 0.000 2.402 36 S HA -0.111 4.360 4.470 0.001 0.000 0.229 36 S C 2.212 176.822 174.600 0.017 0.000 1.021 36 S CA 1.120 59.328 58.200 0.012 0.000 0.974 36 S CB -0.313 62.892 63.200 0.008 0.000 0.800 36 S HN 0.532 nan 8.310 nan 0.000 0.484 37 A N 1.833 124.667 122.820 0.023 0.000 1.858 37 A HA -0.080 4.241 4.320 0.001 0.000 0.216 37 A C 2.480 180.090 177.584 0.042 0.000 1.190 37 A CA 1.827 53.883 52.037 0.031 0.000 0.617 37 A CB -1.201 17.821 19.000 0.036 0.000 0.827 37 A HN 0.560 nan 8.150 nan 0.000 0.443 38 V N -2.470 117.470 119.914 0.042 0.000 2.490 38 V HA -0.179 3.941 4.120 0.001 0.000 0.250 38 V C 2.179 178.293 176.094 0.033 0.000 1.061 38 V CA 1.839 64.167 62.300 0.047 0.000 1.064 38 V CB -0.963 30.881 31.823 0.036 0.000 0.670 38 V HN 0.257 nan 8.190 nan 0.000 0.461 39 L N 0.746 121.982 121.223 0.023 0.000 2.005 39 L HA -0.066 4.275 4.340 0.001 0.000 0.207 39 L C 2.800 179.682 176.870 0.020 0.000 1.072 39 L CA 2.393 57.243 54.840 0.017 0.000 0.744 39 L CB -1.447 40.619 42.059 0.011 0.000 0.895 39 L HN 0.575 nan 8.230 nan 0.000 0.433 40 E N -0.049 120.164 120.200 0.022 0.000 2.072 40 E HA -0.228 4.122 4.350 0.001 0.000 0.191 40 E C 2.300 178.918 176.600 0.030 0.000 0.985 40 E CA 1.044 57.457 56.400 0.021 0.000 0.801 40 E CB 0.060 29.771 29.700 0.018 0.000 0.750 40 E HN 0.391 nan 8.360 nan 0.000 0.452 41 R N -0.043 120.482 120.500 0.042 0.000 2.127 41 R HA -0.090 4.250 4.340 0.001 0.000 0.238 41 R C 2.273 178.602 176.300 0.047 0.000 1.134 41 R CA 1.408 57.543 56.100 0.058 0.000 0.975 41 R CB -0.216 30.140 30.300 0.094 0.000 0.865 41 R HN 0.157 nan 8.270 nan 0.000 0.447 42 A N -0.297 122.545 122.820 0.036 0.000 2.132 42 A HA 0.230 4.550 4.320 0.001 0.000 0.213 42 A C 1.408 179.003 177.584 0.019 0.000 1.154 42 A CA 0.614 52.665 52.037 0.024 0.000 0.753 42 A CB 0.009 19.020 19.000 0.018 0.000 0.826 42 A HN 0.401 nan 8.150 nan 0.000 0.469 43 G N -0.799 108.012 108.800 0.019 0.000 2.221 43 G HA2 -0.162 3.799 3.960 0.001 0.000 0.265 43 G HA3 -0.162 3.799 3.960 0.001 0.000 0.265 43 G C 0.006 174.913 174.900 0.012 0.000 1.041 43 G CA 0.367 45.476 45.100 0.015 0.000 0.807 43 G HN 0.825 nan 8.290 nan 0.000 0.502 44 V N 0.200 120.121 119.914 0.011 0.000 2.483 44 V HA 0.808 4.928 4.120 0.001 0.000 0.295 44 V C 0.853 176.952 176.094 0.008 0.000 1.035 44 V CA -0.424 61.881 62.300 0.009 0.000 0.896 44 V CB 1.710 33.538 31.823 0.008 0.000 0.986 44 V HN 1.066 nan 8.190 nan 0.000 0.447 45 A N 3.302 126.126 122.820 0.007 0.000 2.371 45 A HA 0.644 4.965 4.320 0.001 0.000 0.257 45 A C 1.496 179.084 177.584 0.006 0.000 1.089 45 A CA 0.342 52.382 52.037 0.006 0.000 0.794 45 A CB 0.597 19.601 19.000 0.006 0.000 1.029 45 A HN 1.358 nan 8.150 nan 0.000 0.488 46 A N 2.233 125.056 122.820 0.005 0.000 1.948 46 A HA -0.007 4.314 4.320 0.001 0.000 0.220 46 A C 2.088 179.675 177.584 0.005 0.000 1.177 46 A CA 2.223 54.263 52.037 0.005 0.000 0.636 46 A CB -1.147 17.856 19.000 0.005 0.000 0.815 46 A HN 1.543 nan 8.150 nan 0.000 0.449 47 G N -0.955 107.848 108.800 0.006 0.000 2.708 47 G HA2 -0.040 3.921 3.960 0.001 0.000 0.210 47 G HA3 -0.040 3.921 3.960 0.001 0.000 0.210 47 G C 1.147 176.051 174.900 0.007 0.000 1.141 47 G CA 0.722 45.826 45.100 0.006 0.000 0.788 47 G HN 0.714 nan 8.290 nan 0.000 0.531 48 E N -0.396 119.807 120.200 0.006 0.000 2.400 48 E HA 0.079 4.430 4.350 0.001 0.000 0.195 48 E C 0.282 176.887 176.600 0.007 0.000 1.012 48 E CA -0.285 56.120 56.400 0.007 0.000 0.875 48 E CB 0.614 30.318 29.700 0.006 0.000 0.859 48 E HN 0.195 nan 8.360 nan 0.000 0.498 49 V N 2.682 122.600 119.914 0.006 0.000 2.521 49 V HA -0.044 4.077 4.120 0.001 0.000 0.286 49 V C 0.824 176.924 176.094 0.011 0.000 1.034 49 V CA 0.376 62.679 62.300 0.006 0.000 1.045 49 V CB 0.938 32.761 31.823 0.000 0.000 0.974 49 V HN 0.189 nan 8.190 nan 0.000 0.480 50 N N 2.993 121.702 118.700 0.015 0.000 2.220 50 N HA 0.043 4.783 4.740 0.001 0.000 0.182 50 N C 0.473 176.005 175.510 0.036 0.000 1.023 50 N CA 0.599 53.664 53.050 0.025 0.000 0.856 50 N CB 0.402 38.906 38.487 0.029 0.000 0.997 50 N HN 0.820 nan 8.380 nan 0.000 0.429 51 E N -0.223 119.996 120.200 0.033 0.000 2.372 51 E HA 0.378 4.729 4.350 0.001 0.000 0.279 51 E C -1.883 174.707 176.600 -0.016 0.000 0.946 51 E CA -0.568 55.858 56.400 0.044 0.000 0.769 51 E CB 1.980 31.750 29.700 0.117 0.000 1.230 51 E HN -0.264 nan 8.360 nan 0.000 0.442 52 V N 4.344 124.224 119.914 -0.056 0.000 2.459 52 V HA 0.508 4.629 4.120 0.001 0.000 0.295 52 V C -0.284 175.591 176.094 -0.365 0.000 1.029 52 V CA -0.551 61.660 62.300 -0.150 0.000 0.874 52 V CB 1.448 33.210 31.823 -0.102 0.000 0.985 52 V HN 0.547 nan 8.190 nan 0.000 0.438 53 I N 5.901 126.184 120.570 -0.478 0.000 2.439 53 I HA 0.466 4.637 4.170 0.001 0.000 0.283 53 I C -0.893 174.913 176.117 -0.518 0.000 1.023 53 I CA -0.241 60.549 61.300 -0.850 0.000 1.100 53 I CB 1.576 38.974 38.000 -1.005 0.000 1.238 53 I HN 0.323 nan 8.210 nan 0.000 0.445 54 L N 5.637 126.606 121.223 -0.425 0.000 2.319 54 L HA 0.555 4.895 4.340 0.001 0.000 0.281 54 L C 0.695 177.452 176.870 -0.187 0.000 1.005 54 L CA -0.689 54.005 54.840 -0.242 0.000 0.828 54 L CB 1.855 43.822 42.059 -0.153 0.000 1.227 54 L HN 0.665 nan 8.230 nan 0.000 0.415 55 G N 2.449 111.159 108.800 -0.150 0.000 2.340 55 G HA2 0.290 4.250 3.960 0.001 0.000 0.245 55 G HA3 0.290 4.250 3.960 0.001 0.000 0.245 55 G C -0.617 174.244 174.900 -0.065 0.000 1.294 55 G CA 0.119 45.166 45.100 -0.088 0.000 0.896 55 G HN 0.657 nan 8.290 nan 0.000 0.522 56 Q N 1.575 121.351 119.800 -0.040 0.000 2.313 56 Q HA 0.330 4.670 4.340 0.001 0.000 0.260 56 Q C -0.560 175.428 176.000 -0.019 0.000 0.972 56 Q CA -0.770 55.014 55.803 -0.033 0.000 0.886 56 Q CB 1.907 30.629 28.738 -0.026 0.000 1.373 56 Q HN 0.287 nan 8.270 nan 0.000 0.416 57 V N 3.904 123.801 119.914 -0.028 0.000 3.431 57 V HA 0.181 4.301 4.120 0.001 0.000 0.253 57 V C 0.431 176.511 176.094 -0.023 0.000 1.184 57 V CA 0.449 62.734 62.300 -0.025 0.000 1.104 57 V CB 0.434 32.232 31.823 -0.042 0.000 0.799 57 V HN 0.691 nan 8.190 nan 0.000 0.462 58 L N 2.022 123.232 121.223 -0.022 0.000 2.594 58 L HA 0.356 4.696 4.340 0.001 0.000 0.245 58 L C -2.195 174.674 176.870 -0.002 0.000 1.460 58 L CA -0.649 54.182 54.840 -0.014 0.000 0.865 58 L CB 1.527 43.575 42.059 -0.018 0.000 1.131 58 L HN 0.157 nan 8.230 nan 0.000 0.506 59 P HA 0.148 nan 4.420 nan 0.000 0.268 59 P C 0.528 177.838 177.300 0.017 0.000 1.329 59 P CA -0.017 63.090 63.100 0.011 0.000 0.899 59 P CB 0.583 32.289 31.700 0.010 0.000 1.378 60 A N 0.849 123.679 122.820 0.015 0.000 2.522 60 A HA 0.465 4.785 4.320 0.001 0.000 0.256 60 A C 1.549 179.150 177.584 0.029 0.000 1.086 60 A CA 0.761 52.810 52.037 0.020 0.000 0.763 60 A CB -1.188 17.823 19.000 0.019 0.000 1.024 60 A HN 0.367 nan 8.150 nan 0.000 0.502 61 G N 1.759 110.576 108.800 0.029 0.000 2.175 61 G HA2 -0.265 3.695 3.960 0.001 0.000 0.244 61 G HA3 -0.265 3.695 3.960 0.001 0.000 0.244 61 G C 0.721 175.642 174.900 0.035 0.000 0.982 61 G CA 0.702 45.822 45.100 0.034 0.000 0.641 61 G HN 0.834 nan 8.290 nan 0.000 0.527 62 E N 0.320 120.541 120.200 0.035 0.000 2.435 62 E HA 0.409 4.759 4.350 0.001 0.000 0.195 62 E C 1.465 178.069 176.600 0.007 0.000 1.029 62 E CA 1.183 57.610 56.400 0.045 0.000 0.865 62 E CB -0.086 29.654 29.700 0.067 0.000 0.833 62 E HN 1.745 nan 8.360 nan 0.000 0.510 63 G N 0.009 108.808 108.800 -0.002 0.000 2.566 63 G HA2 -0.098 3.863 3.960 0.001 0.000 0.599 63 G HA3 -0.098 3.863 3.960 0.001 0.000 0.599 63 G C -0.411 174.471 174.900 -0.030 0.000 1.292 63 G CA -0.610 44.478 45.100 -0.020 0.000 0.922 63 G HN 0.410 nan 8.290 nan 0.000 0.514 64 A N 0.258 123.059 122.820 -0.032 0.000 2.524 64 A HA 0.527 4.848 4.320 0.001 0.000 0.250 64 A C 1.155 178.719 177.584 -0.034 0.000 1.078 64 A CA 1.415 53.438 52.037 -0.023 0.000 0.761 64 A CB -0.185 18.805 19.000 -0.018 0.000 1.012 64 A HN 2.577 nan 8.150 nan 0.000 0.500 65 N N 2.241 120.933 118.700 -0.013 0.000 2.607 65 N HA -0.127 4.614 4.740 0.001 0.000 0.285 65 N C -1.932 173.558 175.510 -0.035 0.000 1.151 65 N CA 0.755 53.803 53.050 -0.002 0.000 0.749 65 N CB -0.341 38.158 38.487 0.019 0.000 0.923 65 N HN 0.368 nan 8.380 nan 0.000 0.552 66 P HA -0.092 nan 4.420 nan 0.000 0.221 66 P C 1.083 178.363 177.300 -0.033 0.000 1.145 66 P CA 1.793 64.855 63.100 -0.063 0.000 0.795 66 P CB 0.038 31.737 31.700 -0.001 0.000 0.775 67 A N 0.041 122.846 122.820 -0.025 0.000 1.898 67 A HA -0.197 4.123 4.320 0.001 0.000 0.216 67 A C 2.402 179.967 177.584 -0.032 0.000 1.181 67 A CA 1.754 53.767 52.037 -0.041 0.000 0.620 67 A CB -0.997 17.960 19.000 -0.071 0.000 0.819 67 A HN 0.020 nan 8.150 nan 0.000 0.442 68 R N 0.231 120.720 120.500 -0.018 0.000 2.115 68 R HA -0.101 4.239 4.340 0.001 0.000 0.230 68 R C 2.120 178.396 176.300 -0.039 0.000 1.111 68 R CA 2.046 58.137 56.100 -0.014 0.000 0.976 68 R CB -0.623 29.678 30.300 0.001 0.000 0.870 68 R HN 0.695 nan 8.270 nan 0.000 0.445 69 Q N -0.722 119.024 119.800 -0.089 0.000 2.119 69 Q HA -0.020 4.320 4.340 0.001 0.000 0.201 69 Q C 2.066 178.051 176.000 -0.024 0.000 0.972 69 Q CA 1.523 57.227 55.803 -0.166 0.000 0.847 69 Q CB -0.148 28.283 28.738 -0.512 0.000 0.903 69 Q HN 0.457 nan 8.270 nan 0.000 0.433 70 A N 1.076 123.926 122.820 0.050 0.000 1.968 70 A HA -0.001 4.319 4.320 0.001 0.000 0.217 70 A C 2.269 179.882 177.584 0.049 0.000 1.169 70 A CA 1.333 53.437 52.037 0.111 0.000 0.638 70 A CB -0.539 18.507 19.000 0.077 0.000 0.812 70 A HN 0.365 nan 8.150 nan 0.000 0.446 71 A N -0.874 121.955 122.820 0.014 0.000 1.898 71 A HA -0.036 4.285 4.320 0.001 0.000 0.216 71 A C 2.185 179.776 177.584 0.011 0.000 1.181 71 A CA 1.746 53.785 52.037 0.003 0.000 0.620 71 A CB -0.401 18.593 19.000 -0.009 0.000 0.819 71 A HN 0.413 nan 8.150 nan 0.000 0.442 72 M N -0.724 118.883 119.600 0.011 0.000 2.123 72 M HA -0.041 4.439 4.480 0.001 0.000 0.263 72 M C 2.125 178.439 176.300 0.023 0.000 1.069 72 M CA 1.774 57.080 55.300 0.011 0.000 1.133 72 M CB -1.048 31.552 32.600 0.000 0.000 1.356 72 M HN 0.497 nan 8.290 nan 0.000 0.415 73 K N 0.759 121.186 120.400 0.044 0.000 2.074 73 K HA -0.113 4.208 4.320 0.001 0.000 0.209 73 K C 1.708 178.329 176.600 0.036 0.000 1.048 73 K CA 1.825 58.146 56.287 0.057 0.000 0.926 73 K CB -0.159 32.408 32.500 0.111 0.000 0.713 73 K HN 0.260 nan 8.250 nan 0.000 0.444 74 A N -0.327 122.513 122.820 0.033 0.000 2.239 74 A HA 0.159 4.479 4.320 0.001 0.000 0.209 74 A C 1.324 178.915 177.584 0.012 0.000 1.171 74 A CA 0.957 53.006 52.037 0.020 0.000 0.768 74 A CB -0.647 18.364 19.000 0.019 0.000 0.790 74 A HN 0.620 nan 8.150 nan 0.000 0.478 75 G N -1.596 107.211 108.800 0.012 0.000 2.136 75 G HA2 -0.184 3.777 3.960 0.001 0.000 0.242 75 G HA3 -0.184 3.777 3.960 0.001 0.000 0.242 75 G C 0.122 175.026 174.900 0.007 0.000 0.989 75 G CA 0.068 45.173 45.100 0.008 0.000 0.682 75 G HN 0.748 nan 8.290 nan 0.000 0.522 76 V N 2.761 122.679 119.914 0.007 0.000 2.572 76 V HA 0.343 4.464 4.120 0.001 0.000 0.291 76 V C -0.681 175.417 176.094 0.007 0.000 1.039 76 V CA -0.826 61.477 62.300 0.006 0.000 1.055 76 V CB 1.038 32.863 31.823 0.003 0.000 0.969 76 V HN 0.300 nan 8.190 nan 0.000 0.482 77 P HA 0.073 nan 4.420 nan 0.000 0.272 77 P C 0.465 177.770 177.300 0.009 0.000 1.240 77 P CA -0.342 62.763 63.100 0.007 0.000 0.791 77 P CB 0.496 32.200 31.700 0.007 0.000 0.978 78 Q N 0.351 120.156 119.800 0.008 0.000 2.291 78 Q HA -0.165 4.175 4.340 0.001 0.000 0.205 78 Q C 0.801 176.809 176.000 0.012 0.000 0.970 78 Q CA 1.479 57.287 55.803 0.009 0.000 0.876 78 Q CB -0.429 28.313 28.738 0.006 0.000 0.935 78 Q HN 0.338 nan 8.270 nan 0.000 0.455 79 E N 1.374 121.581 120.200 0.011 0.000 2.418 79 E HA 0.100 4.450 4.350 0.001 0.000 0.197 79 E C 0.437 177.048 176.600 0.018 0.000 1.026 79 E CA 0.764 57.171 56.400 0.013 0.000 0.862 79 E CB 0.086 29.793 29.700 0.011 0.000 0.799 79 E HN 0.523 nan 8.360 nan 0.000 0.518 80 A N 0.252 123.084 122.820 0.020 0.000 2.240 80 A HA 0.580 4.900 4.320 0.001 0.000 0.292 80 A C 0.554 178.161 177.584 0.039 0.000 1.121 80 A CA -0.093 51.960 52.037 0.028 0.000 0.851 80 A CB 0.392 19.405 19.000 0.022 0.000 1.167 80 A HN 0.180 nan 8.150 nan 0.000 0.503 81 T N -3.305 111.284 114.554 0.058 0.000 2.907 81 T HA 0.831 5.181 4.350 0.001 0.000 0.290 81 T C -0.538 174.228 174.700 0.111 0.000 1.066 81 T CA -0.142 62.012 62.100 0.090 0.000 1.012 81 T CB 1.715 70.651 68.868 0.115 0.000 1.184 81 T HN 2.149 nan 8.240 nan 0.000 0.522 82 A N 1.079 123.995 122.820 0.160 0.000 2.577 82 A HA 0.718 5.039 4.320 0.001 0.000 0.297 82 A C -1.734 176.001 177.584 0.252 0.000 1.060 82 A CA -1.098 51.014 52.037 0.125 0.000 0.697 82 A CB 1.224 20.237 19.000 0.022 0.000 1.281 82 A HN 1.147 nan 8.150 nan 0.000 0.402 83 W N 1.062 122.351 121.300 -0.019 0.000 3.075 83 W HA 0.756 5.417 4.660 0.001 0.000 0.334 83 W C -0.251 176.256 176.519 -0.020 0.000 1.243 83 W CA -0.954 56.379 57.345 -0.020 0.000 1.170 83 W CB 1.009 30.457 29.460 -0.020 0.000 1.452 83 W HN 1.256 nan 8.180 nan 0.000 0.572 84 G N 1.289 110.201 108.800 0.186 0.000 2.434 84 G HA2 0.753 4.713 3.960 0.001 0.000 0.330 84 G HA3 0.753 4.713 3.960 0.001 0.000 0.330 84 G C -1.123 173.898 174.900 0.201 0.000 1.155 84 G CA -0.994 44.143 45.100 0.062 0.000 0.917 84 G HN 0.556 nan 8.290 nan 0.000 0.493 85 M N -0.173 119.478 119.600 0.085 0.000 2.631 85 M HA 0.640 5.121 4.480 0.001 0.000 0.288 85 M C -1.263 175.073 176.300 0.061 0.000 1.260 85 M CA -1.190 54.196 55.300 0.143 0.000 0.842 85 M CB 2.362 35.096 32.600 0.223 0.000 1.743 85 M HN 0.290 nan 8.290 nan 0.000 0.461 86 N N 1.092 119.833 118.700 0.069 0.000 2.577 86 N HA 0.292 5.033 4.740 0.001 0.000 0.275 86 N C -1.769 173.772 175.510 0.053 0.000 1.091 86 N CA -0.038 53.038 53.050 0.043 0.000 0.843 86 N CB 1.496 40.004 38.487 0.034 0.000 1.295 86 N HN 0.941 nan 8.380 nan 0.000 0.530 87 Q N 5.288 125.118 119.800 0.050 0.000 2.354 87 Q HA 0.314 4.655 4.340 0.001 0.000 0.372 87 Q C 0.548 176.582 176.000 0.056 0.000 0.923 87 Q CA -0.310 55.531 55.803 0.063 0.000 1.123 87 Q CB -0.041 28.742 28.738 0.075 0.000 1.298 87 Q HN 0.747 nan 8.270 nan 0.000 0.419 88 L N -1.826 119.421 121.223 0.039 0.000 5.176 88 L HA -0.556 3.785 4.340 0.001 0.000 0.053 88 L C 1.457 178.340 176.870 0.022 0.000 2.911 88 L CA 1.799 56.654 54.840 0.026 0.000 1.597 88 L CB -1.613 40.470 42.059 0.041 0.000 2.854 88 L HN 0.477 nan 8.230 nan 0.000 0.903 89 C N 0.066 119.397 119.300 0.052 0.000 2.437 89 C HA 0.035 4.496 4.460 0.001 0.000 0.283 89 C C 2.186 177.234 174.990 0.097 0.000 1.424 89 C CA 0.563 59.630 59.018 0.082 0.000 1.782 89 C CB -1.590 26.264 27.740 0.191 0.000 1.833 89 C HN 0.821 nan 8.230 nan 0.000 0.532 90 G N -0.118 108.731 108.800 0.081 0.000 3.126 90 G HA2 0.067 4.028 3.960 0.001 0.000 0.224 90 G HA3 0.067 4.028 3.960 0.001 0.000 0.224 90 G C 1.482 176.410 174.900 0.047 0.000 1.142 90 G CA 0.434 45.581 45.100 0.078 0.000 0.759 90 G HN 0.469 nan 8.290 nan 0.000 0.550 91 S N 1.018 116.735 115.700 0.028 0.000 2.372 91 S HA -0.167 4.304 4.470 0.001 0.000 0.227 91 S C 2.517 177.101 174.600 -0.027 0.000 1.044 91 S CA 1.573 59.774 58.200 0.001 0.000 1.050 91 S CB -0.492 62.702 63.200 -0.009 0.000 0.901 91 S HN 0.506 nan 8.310 nan 0.000 0.447 92 G N 0.793 109.580 108.800 -0.021 0.000 2.422 92 G HA2 -0.129 3.831 3.960 0.001 0.000 0.218 92 G HA3 -0.129 3.831 3.960 0.001 0.000 0.218 92 G C 1.370 176.250 174.900 -0.034 0.000 1.146 92 G CA 0.763 45.842 45.100 -0.035 0.000 0.769 92 G HN 0.407 nan 8.290 nan 0.000 0.547 93 L N 0.106 121.324 121.223 -0.008 0.000 2.127 93 L HA 0.300 4.640 4.340 0.001 0.000 0.203 93 L C 2.678 179.518 176.870 -0.051 0.000 1.080 93 L CA 1.290 56.126 54.840 -0.008 0.000 0.768 93 L CB -0.431 41.651 42.059 0.039 0.000 0.924 93 L HN 0.129 nan 8.230 nan 0.000 0.444 94 R N 0.354 120.827 120.500 -0.046 0.000 2.105 94 R HA -0.112 4.229 4.340 0.001 0.000 0.239 94 R C 2.122 178.318 176.300 -0.173 0.000 1.135 94 R CA 1.739 57.773 56.100 -0.110 0.000 0.967 94 R CB -0.947 29.332 30.300 -0.035 0.000 0.861 94 R HN 0.456 nan 8.270 nan 0.000 0.442 95 A N -0.461 122.276 122.820 -0.138 0.000 1.933 95 A HA -0.103 4.217 4.320 0.001 0.000 0.218 95 A C 2.346 179.814 177.584 -0.194 0.000 1.175 95 A CA 1.726 53.649 52.037 -0.189 0.000 0.628 95 A CB -0.679 18.192 19.000 -0.216 0.000 0.814 95 A HN 0.187 nan 8.150 nan 0.000 0.444 96 V N -0.220 119.598 119.914 -0.160 0.000 2.343 96 V HA -0.262 3.858 4.120 0.001 0.000 0.247 96 V C 3.039 179.018 176.094 -0.192 0.000 1.051 96 V CA 1.945 64.160 62.300 -0.141 0.000 1.036 96 V CB -1.144 30.626 31.823 -0.089 0.000 0.654 96 V HN 0.625 nan 8.190 nan 0.000 0.451 97 A N -0.409 122.230 122.820 -0.301 0.000 1.933 97 A HA -0.135 4.185 4.320 0.001 0.000 0.218 97 A C 2.191 179.480 177.584 -0.493 0.000 1.175 97 A CA 1.648 53.345 52.037 -0.566 0.000 0.628 97 A CB -0.483 17.870 19.000 -1.079 0.000 0.814 97 A HN 0.511 nan 8.150 nan 0.000 0.444 98 L N -0.757 120.270 121.223 -0.327 0.000 2.093 98 L HA -0.091 4.249 4.340 0.001 0.000 0.208 98 L C 2.806 179.655 176.870 -0.034 0.000 1.085 98 L CA 0.967 55.732 54.840 -0.126 0.000 0.755 98 L CB -0.687 41.405 42.059 0.056 0.000 0.904 98 L HN 0.482 nan 8.230 nan 0.000 0.435 99 G N -0.327 108.428 108.800 -0.075 0.000 2.421 99 G HA2 -0.301 3.660 3.960 0.001 0.000 0.216 99 G HA3 -0.301 3.660 3.960 0.001 0.000 0.216 99 G C 1.598 176.478 174.900 -0.034 0.000 1.171 99 G CA 0.650 45.725 45.100 -0.041 0.000 0.775 99 G HN 0.186 nan 8.290 nan 0.000 0.543 100 M N 0.478 120.036 119.600 -0.069 0.000 2.195 100 M HA -0.137 4.343 4.480 0.001 0.000 0.260 100 M C 2.306 178.597 176.300 -0.013 0.000 1.066 100 M CA 1.736 57.010 55.300 -0.044 0.000 1.089 100 M CB -0.670 31.891 32.600 -0.066 0.000 1.377 100 M HN 0.356 nan 8.290 nan 0.000 0.411 101 Q N -0.624 119.163 119.800 -0.022 0.000 2.137 101 Q HA -0.152 4.189 4.340 0.001 0.000 0.198 101 Q C 2.009 178.028 176.000 0.032 0.000 0.960 101 Q CA 1.098 56.913 55.803 0.020 0.000 0.847 101 Q CB 0.026 28.775 28.738 0.019 0.000 0.915 101 Q HN 0.548 nan 8.270 nan 0.000 0.448 102 Q N 0.438 120.261 119.800 0.038 0.000 2.112 102 Q HA -0.170 4.170 4.340 0.001 0.000 0.206 102 Q C 1.989 178.009 176.000 0.033 0.000 0.987 102 Q CA 1.383 57.215 55.803 0.048 0.000 0.858 102 Q CB -0.309 28.473 28.738 0.073 0.000 0.905 102 Q HN 0.463 nan 8.270 nan 0.000 0.420 103 I N 0.372 120.957 120.570 0.025 0.000 2.277 103 I HA -0.171 3.999 4.170 0.001 0.000 0.243 103 I C 2.339 178.468 176.117 0.022 0.000 1.094 103 I CA 0.815 62.127 61.300 0.020 0.000 1.393 103 I CB -0.495 37.514 38.000 0.014 0.000 1.078 103 I HN 0.067 nan 8.210 nan 0.000 0.417 104 A N 0.948 123.783 122.820 0.025 0.000 1.917 104 A HA -0.272 4.049 4.320 0.001 0.000 0.219 104 A C 2.324 179.925 177.584 0.028 0.000 1.182 104 A CA 2.706 54.760 52.037 0.029 0.000 0.633 104 A CB -1.343 17.682 19.000 0.041 0.000 0.819 104 A HN 0.545 nan 8.150 nan 0.000 0.448 105 T N -4.180 110.391 114.554 0.028 0.000 3.148 105 T HA 0.393 4.744 4.350 0.001 0.000 0.253 105 T C 1.350 176.062 174.700 0.019 0.000 1.134 105 T CA 1.037 63.152 62.100 0.024 0.000 1.051 105 T CB -0.017 68.866 68.868 0.025 0.000 0.959 105 T HN 1.799 nan 8.240 nan 0.000 0.525 106 G N 1.589 110.400 108.800 0.019 0.000 2.136 106 G HA2 -0.206 3.754 3.960 0.001 0.000 0.242 106 G HA3 -0.206 3.754 3.960 0.001 0.000 0.242 106 G C 0.367 175.276 174.900 0.016 0.000 0.989 106 G CA 0.203 45.313 45.100 0.016 0.000 0.682 106 G HN 0.532 nan 8.290 nan 0.000 0.522 107 D N 0.087 120.498 120.400 0.019 0.000 2.354 107 D HA 0.464 5.104 4.640 0.001 0.000 0.209 107 D C 1.304 177.619 176.300 0.026 0.000 1.015 107 D CA 1.371 55.383 54.000 0.020 0.000 0.867 107 D CB 0.581 41.393 40.800 0.021 0.000 0.933 107 D HN 1.078 nan 8.370 nan 0.000 0.520 108 A N -0.812 122.024 122.820 0.027 0.000 2.612 108 A HA 0.542 4.863 4.320 0.001 0.000 0.293 108 A C 0.299 177.896 177.584 0.020 0.000 1.075 108 A CA -0.427 51.626 52.037 0.027 0.000 0.680 108 A CB 1.388 20.411 19.000 0.038 0.000 1.279 108 A HN -0.130 nan 8.150 nan 0.000 0.411 109 S N -0.406 115.304 115.700 0.017 0.000 2.566 109 S HA 0.407 4.878 4.470 0.001 0.000 0.234 109 S C 0.309 174.915 174.600 0.010 0.000 1.075 109 S CA 0.626 58.834 58.200 0.013 0.000 0.926 109 S CB 0.030 63.237 63.200 0.011 0.000 0.811 109 S HN 0.536 nan 8.310 nan 0.000 0.518 110 I N 2.213 122.789 120.570 0.010 0.000 2.499 110 I HA 0.399 4.570 4.170 0.001 0.000 0.288 110 I C -1.487 174.631 176.117 0.002 0.000 1.048 110 I CA -0.467 60.835 61.300 0.005 0.000 1.062 110 I CB 1.995 39.998 38.000 0.004 0.000 1.238 110 I HN 0.076 nan 8.210 nan 0.000 0.426 111 I N 6.641 127.207 120.570 -0.007 0.000 2.569 111 I HA 0.459 4.630 4.170 0.001 0.000 0.296 111 I C -0.249 175.846 176.117 -0.036 0.000 1.028 111 I CA -0.830 60.458 61.300 -0.020 0.000 1.082 111 I CB 2.253 40.239 38.000 -0.023 0.000 1.264 111 I HN 0.100 nan 8.210 nan 0.000 0.429 112 V N 4.601 124.483 119.914 -0.053 0.000 2.435 112 V HA 0.876 4.997 4.120 0.001 0.000 0.290 112 V C 0.117 176.146 176.094 -0.109 0.000 1.030 112 V CA -0.481 61.781 62.300 -0.063 0.000 0.881 112 V CB 1.558 33.351 31.823 -0.051 0.000 0.983 112 V HN 0.922 nan 8.190 nan 0.000 0.445 113 A N 2.977 125.734 122.820 -0.105 0.000 2.594 113 A HA 1.036 5.357 4.320 0.001 0.000 0.295 113 A C -0.071 177.447 177.584 -0.111 0.000 1.071 113 A CA 0.114 52.064 52.037 -0.145 0.000 0.685 113 A CB 2.062 20.966 19.000 -0.161 0.000 1.285 113 A HN 1.614 nan 8.150 nan 0.000 0.405 114 G N -0.724 107.999 108.800 -0.130 0.000 2.512 114 G HA2 0.688 4.648 3.960 0.001 0.000 0.181 114 G HA3 0.688 4.648 3.960 0.001 0.000 0.181 114 G C -0.221 174.620 174.900 -0.099 0.000 1.173 114 G CA 0.447 45.493 45.100 -0.090 0.000 0.988 114 G HN 2.120 nan 8.290 nan 0.000 0.485 115 G N -0.682 108.073 108.800 -0.075 0.000 2.692 115 G HA2 0.769 4.730 3.960 0.001 0.000 0.291 115 G HA3 0.769 4.730 3.960 0.001 0.000 0.291 115 G C -0.708 174.149 174.900 -0.071 0.000 1.423 115 G CA -0.018 45.037 45.100 -0.076 0.000 0.843 115 G HN 1.463 nan 8.290 nan 0.000 0.486 116 M N -0.310 119.246 119.600 -0.072 0.000 2.433 116 M HA 0.903 5.383 4.480 0.001 0.000 0.290 116 M C -1.569 174.687 176.300 -0.073 0.000 1.173 116 M CA -0.939 54.314 55.300 -0.079 0.000 0.905 116 M CB 2.882 35.434 32.600 -0.079 0.000 1.692 116 M HN 0.421 nan 8.290 nan 0.000 0.462 117 E N 1.003 121.154 120.200 -0.081 0.000 2.321 117 E HA 0.468 4.819 4.350 0.001 0.000 0.281 117 E C -1.871 174.694 176.600 -0.059 0.000 0.910 117 E CA -0.195 56.165 56.400 -0.067 0.000 0.770 117 E CB 2.486 32.141 29.700 -0.074 0.000 1.225 117 E HN 0.716 nan 8.360 nan 0.000 0.417 118 S N 5.106 120.782 115.700 -0.041 0.000 2.528 118 S HA 0.293 4.763 4.470 0.001 0.000 0.303 118 S C 0.653 175.269 174.600 0.027 0.000 1.123 118 S CA -0.398 57.795 58.200 -0.012 0.000 1.138 118 S CB 0.215 63.396 63.200 -0.032 0.000 0.984 118 S HN 0.728 nan 8.310 nan 0.000 0.474 119 M N 2.499 122.137 119.600 0.063 0.000 2.419 119 M HA -0.017 4.463 4.480 0.001 0.000 0.264 119 M C 2.079 178.534 176.300 0.259 0.000 1.082 119 M CA 0.737 56.116 55.300 0.131 0.000 1.119 119 M CB -0.242 32.427 32.600 0.115 0.000 1.398 119 M HN 0.557 nan 8.290 nan 0.000 0.453 120 S N 0.436 116.236 115.700 0.167 0.000 2.368 120 S HA -0.016 4.454 4.470 0.001 0.000 0.225 120 S C 1.730 176.339 174.600 0.016 0.000 1.030 120 S CA 1.090 59.294 58.200 0.006 0.000 0.999 120 S CB -0.053 63.106 63.200 -0.067 0.000 0.844 120 S HN 0.434 nan 8.310 nan 0.000 0.459 121 M N 0.869 120.489 119.600 0.035 0.000 2.495 121 M HA 0.312 4.793 4.480 0.001 0.000 0.237 121 M C 0.688 177.017 176.300 0.048 0.000 1.131 121 M CA -0.161 55.157 55.300 0.030 0.000 1.032 121 M CB -1.174 31.436 32.600 0.017 0.000 1.513 121 M HN 0.144 nan 8.290 nan 0.000 0.488 122 A N 3.893 126.748 122.820 0.059 0.000 2.545 122 A HA 0.298 4.619 4.320 0.001 0.000 0.253 122 A C -1.935 175.682 177.584 0.056 0.000 1.074 122 A CA -0.648 51.418 52.037 0.047 0.000 0.760 122 A CB -0.815 18.208 19.000 0.039 0.000 1.005 122 A HN 0.167 nan 8.150 nan 0.000 0.506 123 P HA 0.362 nan 4.420 nan 0.000 0.279 123 P C -0.704 176.623 177.300 0.047 0.000 1.276 123 P CA -0.315 62.847 63.100 0.103 0.000 0.801 123 P CB 0.607 32.364 31.700 0.094 0.000 1.127 124 H N -1.408 117.698 119.070 0.059 0.000 2.483 124 H HA 0.508 5.065 4.556 0.001 0.000 0.338 124 H C 0.132 175.502 175.328 0.069 0.000 1.152 124 H CA 0.017 56.104 56.048 0.064 0.000 1.264 124 H CB 0.542 30.341 29.762 0.061 0.000 1.510 124 H HN 0.628 nan 8.280 nan 0.000 0.530 125 C N 0.732 120.140 119.300 0.181 0.000 3.086 125 C HA 0.970 5.431 4.460 0.001 0.000 0.311 125 C C -0.877 174.212 174.990 0.166 0.000 1.260 125 C CA -0.719 58.385 59.018 0.143 0.000 1.426 125 C CB 0.592 28.387 27.740 0.092 0.000 1.826 125 C HN 1.016 nan 8.230 nan 0.000 0.474 126 A N 1.153 124.070 122.820 0.162 0.000 2.520 126 A HA 0.680 5.000 4.320 0.001 0.000 0.298 126 A C -1.026 176.611 177.584 0.089 0.000 1.051 126 A CA -0.247 51.890 52.037 0.165 0.000 0.690 126 A CB 0.806 19.985 19.000 0.298 0.000 1.281 126 A HN 1.269 nan 8.150 nan 0.000 0.402 127 H N 3.125 122.185 119.070 -0.017 0.000 2.944 127 H HA 0.397 4.954 4.556 0.001 0.000 0.278 127 H C -0.609 174.642 175.328 -0.129 0.000 1.083 127 H CA 0.311 56.328 56.048 -0.053 0.000 1.479 127 H CB 0.545 30.285 29.762 -0.037 0.000 1.486 127 H HN 0.556 nan 8.280 nan 0.000 0.493 128 L N 5.134 126.070 121.223 -0.478 0.000 3.184 128 L HA 0.179 4.520 4.340 0.001 0.000 0.283 128 L C 2.174 178.806 176.870 -0.397 0.000 1.218 128 L CA -0.124 54.451 54.840 -0.441 0.000 1.028 128 L CB 0.287 42.167 42.059 -0.298 0.000 1.400 128 L HN 0.571 nan 8.230 nan 0.000 0.591 129 R N 0.571 120.758 120.500 -0.521 0.000 2.064 129 R HA -0.079 4.261 4.340 0.001 0.000 0.228 129 R C 2.269 178.436 176.300 -0.222 0.000 1.144 129 R CA 1.632 57.557 56.100 -0.292 0.000 0.932 129 R CB -0.723 29.463 30.300 -0.190 0.000 0.833 129 R HN 0.371 nan 8.270 nan 0.000 0.429 130 G N 0.274 108.931 108.800 -0.239 0.000 2.545 130 G HA2 -0.114 3.846 3.960 0.001 0.000 0.222 130 G HA3 -0.114 3.846 3.960 0.001 0.000 0.222 130 G C 0.665 175.487 174.900 -0.130 0.000 1.126 130 G CA 1.185 46.205 45.100 -0.133 0.000 0.754 130 G HN 0.740 nan 8.290 nan 0.000 0.583 131 G N -2.728 105.959 108.800 -0.187 0.000 2.663 131 G HA2 0.167 4.127 3.960 0.001 0.000 0.686 131 G HA3 0.167 4.127 3.960 0.001 0.000 0.686 131 G C -0.916 173.887 174.900 -0.162 0.000 1.288 131 G CA -0.403 44.600 45.100 -0.161 0.000 0.836 131 G HN 1.016 nan 8.290 nan 0.000 0.584 132 V N 2.382 122.214 119.914 -0.136 0.000 2.340 132 V HA 0.325 4.446 4.120 0.001 0.000 0.277 132 V C 1.184 177.265 176.094 -0.022 0.000 1.017 132 V CA -0.480 61.763 62.300 -0.096 0.000 0.820 132 V CB 1.287 33.024 31.823 -0.143 0.000 1.028 132 V HN 0.821 nan 8.190 nan 0.000 0.436 133 K N 3.332 123.724 120.400 -0.013 0.000 2.097 133 K HA 0.057 4.377 4.320 0.001 0.000 0.206 133 K C 0.483 177.095 176.600 0.020 0.000 1.049 133 K CA 1.304 57.591 56.287 0.001 0.000 0.933 133 K CB 0.322 32.822 32.500 -0.000 0.000 0.717 133 K HN 0.636 nan 8.250 nan 0.000 0.442 134 M N -1.807 117.814 119.600 0.034 0.000 2.523 134 M HA 0.361 4.842 4.480 0.001 0.000 0.287 134 M C -1.577 174.761 176.300 0.064 0.000 1.160 134 M CA 0.274 55.600 55.300 0.045 0.000 0.902 134 M CB 2.290 34.908 32.600 0.030 0.000 1.752 134 M HN 0.316 nan 8.290 nan 0.000 0.504 135 G N 2.350 111.192 108.800 0.069 0.000 2.663 135 G HA2 -0.039 3.922 3.960 0.001 0.000 0.686 135 G HA3 -0.039 3.922 3.960 0.001 0.000 0.686 135 G C -1.611 173.358 174.900 0.114 0.000 1.246 135 G CA -0.485 44.661 45.100 0.076 0.000 0.795 135 G HN 0.871 nan 8.290 nan 0.000 0.627 136 D N -0.244 120.200 120.400 0.075 0.000 2.368 136 D HA 0.585 5.226 4.640 0.001 0.000 0.240 136 D C 0.684 177.077 176.300 0.155 0.000 1.169 136 D CA 1.075 55.098 54.000 0.038 0.000 0.906 136 D CB 0.525 41.314 40.800 -0.018 0.000 1.187 136 D HN 0.688 nan 8.370 nan 0.000 0.435 137 F N -2.304 117.656 119.950 0.017 0.000 2.650 137 F HA 0.567 5.094 4.527 0.000 0.000 0.320 137 F C -0.350 175.468 175.800 0.030 0.000 1.091 137 F CA -1.378 56.636 58.000 0.022 0.000 0.962 137 F CB 1.203 40.214 39.000 0.019 0.000 1.363 137 F HN -0.137 nan 8.300 nan 0.000 0.482 138 K N 2.116 122.650 120.400 0.223 0.000 2.227 138 K HA 0.391 4.712 4.320 0.001 0.000 0.280 138 K C -0.746 175.973 176.600 0.198 0.000 1.041 138 K CA -0.703 55.658 56.287 0.124 0.000 0.905 138 K CB 1.045 33.620 32.500 0.126 0.000 1.068 138 K HN 0.514 nan 8.250 nan 0.000 0.470 139 M N 4.640 124.297 119.600 0.095 0.000 2.084 139 M HA 0.259 4.740 4.480 0.001 0.000 0.351 139 M C -0.464 175.975 176.300 0.233 0.000 1.240 139 M CA -0.561 54.841 55.300 0.169 0.000 1.083 139 M CB 0.501 33.150 32.600 0.083 0.000 1.593 139 M HN 0.368 nan 8.290 nan 0.000 0.463 140 I N 2.936 123.630 120.570 0.207 0.000 2.331 140 I HA 0.144 4.315 4.170 0.001 0.000 0.292 140 I C 0.397 176.516 176.117 0.003 0.000 0.998 140 I CA -0.530 60.844 61.300 0.124 0.000 1.267 140 I CB 0.973 39.023 38.000 0.084 0.000 1.386 140 I HN 0.471 nan 8.210 nan 0.000 0.476 141 D N 5.293 125.611 120.400 -0.136 0.000 2.359 141 D HA 0.022 4.662 4.640 0.001 0.000 0.250 141 D C 1.480 177.655 176.300 -0.208 0.000 1.264 141 D CA 0.023 53.734 54.000 -0.481 0.000 0.911 141 D CB 0.990 41.588 40.800 -0.337 0.000 1.056 141 D HN 0.693 nan 8.370 nan 0.000 0.499 142 T N 1.288 115.736 114.554 -0.177 0.000 2.833 142 T HA -0.254 4.097 4.350 0.001 0.000 0.269 142 T C 2.015 176.673 174.700 -0.070 0.000 1.054 142 T CA 0.886 62.937 62.100 -0.082 0.000 1.135 142 T CB -0.224 68.615 68.868 -0.049 0.000 0.869 142 T HN 0.481 nan 8.240 nan 0.000 0.466 143 M N 0.427 119.982 119.600 -0.075 0.000 2.108 143 M HA -0.070 4.410 4.480 0.001 0.000 0.261 143 M C 1.838 178.105 176.300 -0.054 0.000 1.066 143 M CA 1.829 57.101 55.300 -0.046 0.000 1.107 143 M CB -0.252 32.343 32.600 -0.008 0.000 1.356 143 M HN 0.194 nan 8.290 nan 0.000 0.406 144 I N 0.267 120.810 120.570 -0.046 0.000 2.193 144 I HA -0.203 3.967 4.170 0.001 0.000 0.240 144 I C 2.383 178.478 176.117 -0.037 0.000 1.084 144 I CA 1.324 62.614 61.300 -0.016 0.000 1.365 144 I CB -1.561 36.466 38.000 0.044 0.000 1.064 144 I HN 0.296 nan 8.210 nan 0.000 0.410 145 K N 1.565 121.943 120.400 -0.036 0.000 2.026 145 K HA -0.176 4.145 4.320 0.001 0.000 0.208 145 K C 1.404 177.970 176.600 -0.057 0.000 1.048 145 K CA 1.784 58.048 56.287 -0.039 0.000 0.929 145 K CB -0.189 32.293 32.500 -0.030 0.000 0.713 145 K HN 0.227 nan 8.250 nan 0.000 0.439 146 D N -1.915 118.452 120.400 -0.055 0.000 2.360 146 D HA 0.126 4.766 4.640 0.001 0.000 0.210 146 D C 1.213 177.479 176.300 -0.057 0.000 1.047 146 D CA 0.862 54.829 54.000 -0.055 0.000 0.854 146 D CB 0.942 41.717 40.800 -0.042 0.000 0.936 146 D HN 0.440 nan 8.370 nan 0.000 0.514 147 G N -0.303 108.457 108.800 -0.066 0.000 2.707 147 G HA2 0.133 4.094 3.960 0.001 0.000 0.198 147 G HA3 0.133 4.094 3.960 0.001 0.000 0.198 147 G C 1.208 176.052 174.900 -0.092 0.000 1.065 147 G CA -0.080 44.976 45.100 -0.073 0.000 0.763 147 G HN 0.162 nan 8.290 nan 0.000 0.625 148 L N 1.018 122.162 121.223 -0.132 0.000 2.966 148 L HA 0.322 4.663 4.340 0.001 0.000 0.262 148 L C 0.115 176.788 176.870 -0.329 0.000 1.165 148 L CA 0.214 54.897 54.840 -0.260 0.000 0.978 148 L CB 1.267 43.122 42.059 -0.340 0.000 1.337 148 L HN -0.073 nan 8.230 nan 0.000 0.563 149 T N -0.165 114.292 114.554 -0.162 0.000 2.794 149 T HA 0.188 4.539 4.350 0.001 0.000 0.280 149 T C -0.617 174.039 174.700 -0.074 0.000 0.987 149 T CA -0.387 61.657 62.100 -0.093 0.000 0.993 149 T CB 2.052 70.890 68.868 -0.050 0.000 0.939 149 T HN -0.038 nan 8.240 nan 0.000 0.449 150 D N 1.737 122.116 120.400 -0.035 0.000 2.390 150 D HA 0.370 5.011 4.640 0.001 0.000 0.249 150 D C 1.014 177.212 176.300 -0.170 0.000 1.144 150 D CA -0.237 53.740 54.000 -0.039 0.000 0.880 150 D CB 0.803 41.620 40.800 0.028 0.000 1.182 150 D HN 0.517 nan 8.370 nan 0.000 0.451 151 A N 3.113 125.710 122.820 -0.373 0.000 2.067 151 A HA -0.001 4.319 4.320 0.001 0.000 0.217 151 A C 1.405 178.618 177.584 -0.619 0.000 1.156 151 A CA 0.614 52.295 52.037 -0.593 0.000 0.683 151 A CB -0.398 18.081 19.000 -0.869 0.000 0.808 151 A HN 0.639 nan 8.150 nan 0.000 0.455 152 F N -2.998 116.884 119.950 -0.114 0.000 2.446 152 F HA 0.173 4.701 4.527 0.001 0.000 0.292 152 F C 1.626 177.138 175.800 -0.481 0.000 1.096 152 F CA 0.565 58.414 58.000 -0.252 0.000 1.438 152 F CB -0.201 38.668 39.000 -0.218 0.000 1.107 152 F HN 0.220 nan 8.300 nan 0.000 0.546 153 Y N -0.706 119.497 120.300 -0.163 0.000 2.442 153 Y HA 0.396 4.947 4.550 0.001 0.000 0.250 153 Y C 2.023 177.641 175.900 -0.471 0.000 1.113 153 Y CA 0.152 58.004 58.100 -0.413 0.000 1.273 153 Y CB 0.325 38.296 38.460 -0.815 0.000 1.138 153 Y HN 0.098 nan 8.280 nan 0.000 0.522 154 G N 0.109 108.766 108.800 -0.238 0.000 2.184 154 G HA2 -0.358 3.603 3.960 0.001 0.000 0.264 154 G HA3 -0.358 3.603 3.960 0.001 0.000 0.264 154 G C -0.020 174.865 174.900 -0.025 0.000 0.975 154 G CA 0.623 45.649 45.100 -0.124 0.000 0.642 154 G HN 0.418 nan 8.290 nan 0.000 0.536 155 Y N -0.309 120.054 120.300 0.105 0.000 2.432 155 Y HA 0.797 5.348 4.550 0.001 0.000 0.322 155 Y C 0.687 176.633 175.900 0.076 0.000 1.246 155 Y CA -2.653 55.504 58.100 0.095 0.000 1.268 155 Y CB 0.262 38.772 38.460 0.082 0.000 1.276 155 Y HN 0.273 nan 8.280 nan 0.000 0.499 156 H N 2.137 121.357 119.070 0.250 0.000 2.836 156 H HA 0.030 4.586 4.556 0.001 0.000 0.368 156 H C 1.047 176.364 175.328 -0.018 0.000 1.164 156 H CA 0.228 56.330 56.048 0.089 0.000 1.425 156 H CB 1.034 30.841 29.762 0.074 0.000 1.414 156 H HN 0.795 nan 8.280 nan 0.000 0.614 157 M N 3.058 122.575 119.600 -0.140 0.000 2.202 157 M HA -0.117 4.364 4.480 0.001 0.000 0.262 157 M C 2.367 178.414 176.300 -0.422 0.000 1.063 157 M CA 1.492 56.744 55.300 -0.080 0.000 1.097 157 M CB -1.535 31.129 32.600 0.107 0.000 1.382 157 M HN 0.815 nan 8.290 nan 0.000 0.413 158 G N -0.750 107.651 108.800 -0.666 0.000 2.450 158 G HA2 -0.204 3.756 3.960 0.001 0.000 0.220 158 G HA3 -0.204 3.756 3.960 0.001 0.000 0.220 158 G C 1.528 175.794 174.900 -1.058 0.000 1.130 158 G CA 1.499 45.604 45.100 -1.658 0.000 0.760 158 G HN 0.423 nan 8.290 nan 0.000 0.557 159 T N 1.004 115.143 114.554 -0.691 0.000 2.788 159 T HA -0.167 4.184 4.350 0.001 0.000 0.268 159 T C 2.810 177.187 174.700 -0.538 0.000 1.044 159 T CA 2.114 63.868 62.100 -0.576 0.000 1.139 159 T CB -0.571 67.799 68.868 -0.831 0.000 0.867 159 T HN 0.603 nan 8.240 nan 0.000 0.454 160 T N 0.779 115.096 114.554 -0.395 0.000 2.833 160 T HA 0.059 4.409 4.350 0.001 0.000 0.269 160 T C 2.204 176.725 174.700 -0.299 0.000 1.054 160 T CA 1.106 63.063 62.100 -0.239 0.000 1.135 160 T CB -0.462 68.362 68.868 -0.074 0.000 0.869 160 T HN 0.320 nan 8.240 nan 0.000 0.466 161 A N 1.786 124.289 122.820 -0.527 0.000 1.898 161 A HA -0.061 4.259 4.320 0.001 0.000 0.216 161 A C 2.472 179.887 177.584 -0.283 0.000 1.181 161 A CA 1.421 53.146 52.037 -0.520 0.000 0.620 161 A CB -0.609 17.751 19.000 -1.068 0.000 0.819 161 A HN 0.457 nan 8.150 nan 0.000 0.442 162 E N 0.580 120.611 120.200 -0.281 0.000 2.085 162 E HA -0.186 4.164 4.350 0.001 0.000 0.194 162 E C 1.807 178.331 176.600 -0.126 0.000 0.994 162 E CA 1.246 57.549 56.400 -0.161 0.000 0.801 162 E CB -0.426 29.179 29.700 -0.159 0.000 0.743 162 E HN 0.582 nan 8.360 nan 0.000 0.453 163 N N 0.425 119.028 118.700 -0.161 0.000 2.058 163 N HA -0.129 4.611 4.740 0.001 0.000 0.191 163 N C 2.087 177.576 175.510 -0.034 0.000 1.037 163 N CA 1.024 54.010 53.050 -0.108 0.000 0.848 163 N CB -0.586 37.824 38.487 -0.128 0.000 1.021 163 N HN 0.013 nan 8.380 nan 0.000 0.422 164 V N 1.749 121.652 119.914 -0.017 0.000 2.407 164 V HA -0.195 3.925 4.120 0.001 0.000 0.248 164 V C 2.425 178.603 176.094 0.140 0.000 1.055 164 V CA 1.718 64.076 62.300 0.096 0.000 1.049 164 V CB -0.975 30.878 31.823 0.049 0.000 0.662 164 V HN 0.304 nan 8.190 nan 0.000 0.455 165 A N -0.049 122.795 122.820 0.040 0.000 1.877 165 A HA -0.248 4.073 4.320 0.001 0.000 0.216 165 A C 2.303 179.928 177.584 0.067 0.000 1.186 165 A CA 2.061 54.127 52.037 0.049 0.000 0.620 165 A CB -0.420 18.582 19.000 0.003 0.000 0.822 165 A HN 0.553 nan 8.150 nan 0.000 0.443 166 K N -0.669 119.746 120.400 0.026 0.000 2.057 166 K HA -0.155 4.166 4.320 0.001 0.000 0.206 166 K C 2.388 178.992 176.600 0.006 0.000 1.050 166 K CA 1.477 57.769 56.287 0.008 0.000 0.935 166 K CB -0.241 32.246 32.500 -0.021 0.000 0.715 166 K HN 0.574 nan 8.250 nan 0.000 0.439 167 Q N -0.370 119.436 119.800 0.010 0.000 2.045 167 Q HA -0.196 4.145 4.340 0.001 0.000 0.206 167 Q C 1.581 177.501 176.000 -0.134 0.000 0.991 167 Q CA 1.782 57.547 55.803 -0.063 0.000 0.851 167 Q CB -0.120 28.598 28.738 -0.034 0.000 0.911 167 Q HN 0.443 nan 8.270 nan 0.000 0.418 168 W N 0.506 121.779 121.300 -0.044 0.000 3.256 168 W HA 0.081 4.742 4.660 0.001 0.000 0.269 168 W C -0.018 176.481 176.519 -0.034 0.000 1.310 168 W CA 0.070 57.391 57.345 -0.041 0.000 1.673 168 W CB 0.405 29.837 29.460 -0.047 0.000 1.115 168 W HN 0.176 nan 8.180 nan 0.000 0.686 169 Q N 0.272 120.143 119.800 0.118 0.000 2.452 169 Q HA -0.218 4.122 4.340 0.001 0.000 0.318 169 Q C -0.594 175.460 176.000 0.091 0.000 1.386 169 Q CA 0.366 56.212 55.803 0.071 0.000 0.872 169 Q CB -2.253 26.507 28.738 0.036 0.000 1.151 169 Q HN 0.322 nan 8.270 nan 0.000 0.417 170 L N 1.414 122.695 121.223 0.096 0.000 2.260 170 L HA 0.256 4.597 4.340 0.001 0.000 0.289 170 L C 1.067 177.964 176.870 0.045 0.000 1.057 170 L CA -0.351 54.529 54.840 0.066 0.000 0.811 170 L CB 1.056 43.141 42.059 0.043 0.000 1.184 170 L HN 0.272 nan 8.230 nan 0.000 0.429 171 S N 2.204 117.929 115.700 0.042 0.000 2.589 171 S HA 0.126 4.597 4.470 0.001 0.000 0.265 171 S C 1.015 175.638 174.600 0.039 0.000 1.342 171 S CA -0.588 57.634 58.200 0.036 0.000 1.005 171 S CB 1.346 64.567 63.200 0.035 0.000 0.909 171 S HN 0.702 nan 8.310 nan 0.000 0.555 172 R N 0.918 121.440 120.500 0.037 0.000 2.073 172 R HA -0.111 4.230 4.340 0.001 0.000 0.234 172 R C 1.321 177.650 176.300 0.049 0.000 1.134 172 R CA 2.256 58.382 56.100 0.042 0.000 0.952 172 R CB -1.076 29.244 30.300 0.034 0.000 0.850 172 R HN 0.772 nan 8.270 nan 0.000 0.433 173 D N 0.271 120.697 120.400 0.043 0.000 2.104 173 D HA -0.202 4.438 4.640 0.001 0.000 0.194 173 D C 1.680 178.015 176.300 0.059 0.000 0.994 173 D CA 1.662 55.690 54.000 0.046 0.000 0.830 173 D CB -0.311 40.512 40.800 0.038 0.000 0.959 173 D HN 0.550 nan 8.370 nan 0.000 0.452 174 E N 0.582 120.817 120.200 0.058 0.000 2.077 174 E HA -0.216 4.135 4.350 0.001 0.000 0.193 174 E C 2.012 178.668 176.600 0.094 0.000 0.989 174 E CA 1.006 57.448 56.400 0.070 0.000 0.800 174 E CB 0.073 29.803 29.700 0.051 0.000 0.746 174 E HN 0.273 nan 8.360 nan 0.000 0.452 175 Q N -0.011 119.836 119.800 0.078 0.000 2.084 175 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 175 Q C 1.778 177.874 176.000 0.159 0.000 0.978 175 Q CA 1.570 57.432 55.803 0.099 0.000 0.844 175 Q CB 0.061 28.847 28.738 0.079 0.000 0.898 175 Q HN 0.304 nan 8.270 nan 0.000 0.426 176 D N -0.027 120.444 120.400 0.119 0.000 2.117 176 D HA -0.086 4.554 4.640 0.001 0.000 0.198 176 D C 1.653 178.017 176.300 0.107 0.000 0.982 176 D CA 1.242 55.305 54.000 0.104 0.000 0.828 176 D CB -0.127 40.714 40.800 0.068 0.000 0.967 176 D HN 0.252 nan 8.370 nan 0.000 0.464 177 A N -0.206 122.681 122.820 0.111 0.000 1.969 177 A HA -0.111 4.210 4.320 0.001 0.000 0.218 177 A C 2.061 179.716 177.584 0.119 0.000 1.169 177 A CA 0.672 52.765 52.037 0.093 0.000 0.635 177 A CB -0.843 18.210 19.000 0.087 0.000 0.810 177 A HN 0.269 nan 8.150 nan 0.000 0.445 178 F N 0.841 120.804 119.950 0.023 0.000 2.084 178 F HA -0.033 4.494 4.527 0.001 0.000 0.296 178 F C 2.561 178.374 175.800 0.022 0.000 1.111 178 F CA 1.398 59.411 58.000 0.023 0.000 1.224 178 F CB -0.285 38.732 39.000 0.027 0.000 0.991 178 F HN 0.250 nan 8.300 nan 0.000 0.471 179 A N -0.296 122.632 122.820 0.180 0.000 1.940 179 A HA -0.170 4.150 4.320 0.001 0.000 0.219 179 A C 2.173 179.741 177.584 -0.027 0.000 1.176 179 A CA 2.135 54.217 52.037 0.075 0.000 0.631 179 A CB -1.326 17.749 19.000 0.125 0.000 0.814 179 A HN 0.310 nan 8.150 nan 0.000 0.446 180 V N -0.703 119.199 119.914 -0.019 0.000 2.649 180 V HA -0.084 4.037 4.120 0.001 0.000 0.248 180 V C 2.950 178.997 176.094 -0.078 0.000 1.054 180 V CA 1.441 63.718 62.300 -0.039 0.000 1.073 180 V CB -0.993 30.821 31.823 -0.015 0.000 0.699 180 V HN 0.596 nan 8.190 nan 0.000 0.463 181 A N -0.349 122.407 122.820 -0.108 0.000 1.902 181 A HA -0.226 4.095 4.320 0.001 0.000 0.217 181 A C 2.551 180.010 177.584 -0.208 0.000 1.181 181 A CA 2.184 54.133 52.037 -0.146 0.000 0.623 181 A CB -0.761 18.146 19.000 -0.155 0.000 0.818 181 A HN 0.462 nan 8.150 nan 0.000 0.443 182 S N -1.071 114.443 115.700 -0.310 0.000 2.382 182 S HA -0.182 4.289 4.470 0.001 0.000 0.228 182 S C 2.147 176.666 174.600 -0.136 0.000 1.027 182 S CA 1.523 59.557 58.200 -0.275 0.000 0.991 182 S CB -0.350 62.646 63.200 -0.340 0.000 0.823 182 S HN 0.591 nan 8.310 nan 0.000 0.469 183 Q N 0.891 120.624 119.800 -0.111 0.000 2.123 183 Q HA 0.024 4.365 4.340 0.001 0.000 0.199 183 Q C 1.883 177.831 176.000 -0.088 0.000 0.966 183 Q CA 1.136 56.889 55.803 -0.083 0.000 0.845 183 Q CB -0.564 28.128 28.738 -0.077 0.000 0.907 183 Q HN 0.719 nan 8.270 nan 0.000 0.439 184 N N 0.349 118.995 118.700 -0.090 0.000 2.250 184 N HA -0.074 4.666 4.740 0.001 0.000 0.181 184 N C 1.721 177.179 175.510 -0.087 0.000 1.017 184 N CA 0.390 53.387 53.050 -0.087 0.000 0.866 184 N CB 0.130 38.573 38.487 -0.073 0.000 0.985 184 N HN 0.134 nan 8.380 nan 0.000 0.429 185 K N 1.294 121.642 120.400 -0.086 0.000 2.001 185 K HA -0.140 4.181 4.320 0.001 0.000 0.214 185 K C 2.261 178.830 176.600 -0.052 0.000 1.050 185 K CA 1.438 57.680 56.287 -0.076 0.000 0.934 185 K CB -0.252 32.199 32.500 -0.082 0.000 0.718 185 K HN 0.120 nan 8.250 nan 0.000 0.443 186 A N 1.633 124.448 122.820 -0.008 0.000 1.865 186 A HA -0.254 4.067 4.320 0.001 0.000 0.217 186 A C 2.108 179.720 177.584 0.047 0.000 1.191 186 A CA 1.815 53.915 52.037 0.105 0.000 0.623 186 A CB -0.605 18.458 19.000 0.106 0.000 0.826 186 A HN 0.429 nan 8.150 nan 0.000 0.444 187 E N -0.077 120.074 120.200 -0.081 0.000 2.118 187 E HA -0.179 4.172 4.350 0.001 0.000 0.195 187 E C 2.138 178.641 176.600 -0.163 0.000 0.992 187 E CA 1.139 57.407 56.400 -0.220 0.000 0.804 187 E CB -0.225 29.279 29.700 -0.327 0.000 0.741 187 E HN 0.536 nan 8.360 nan 0.000 0.458 188 A N 1.167 123.912 122.820 -0.125 0.000 1.898 188 A HA -0.037 4.284 4.320 0.001 0.000 0.216 188 A C 2.393 179.884 177.584 -0.156 0.000 1.181 188 A CA 1.744 53.709 52.037 -0.119 0.000 0.620 188 A CB -0.633 18.305 19.000 -0.102 0.000 0.819 188 A HN 0.378 nan 8.150 nan 0.000 0.442 189 A N -0.790 121.899 122.820 -0.219 0.000 1.898 189 A HA -0.193 4.127 4.320 0.001 0.000 0.216 189 A C 2.201 179.494 177.584 -0.485 0.000 1.181 189 A CA 1.795 53.568 52.037 -0.439 0.000 0.620 189 A CB -0.586 17.978 19.000 -0.728 0.000 0.819 189 A HN 0.670 nan 8.150 nan 0.000 0.442 190 Q N -0.158 119.503 119.800 -0.232 0.000 1.993 190 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 190 Q C 2.024 178.019 176.000 -0.009 0.000 0.984 190 Q CA 1.878 57.702 55.803 0.035 0.000 0.837 190 Q CB -0.179 28.683 28.738 0.207 0.000 0.902 190 Q HN 0.579 nan 8.270 nan 0.000 0.423 191 K N 0.177 120.560 120.400 -0.030 0.000 2.074 191 K HA -0.179 4.141 4.320 0.001 0.000 0.209 191 K C 1.392 177.968 176.600 -0.040 0.000 1.048 191 K CA 1.582 57.858 56.287 -0.018 0.000 0.926 191 K CB -0.105 32.374 32.500 -0.034 0.000 0.713 191 K HN 0.323 nan 8.250 nan 0.000 0.444 192 D N -0.804 119.545 120.400 -0.085 0.000 2.349 192 D HA 0.034 4.674 4.640 0.001 0.000 0.224 192 D C 0.789 177.033 176.300 -0.094 0.000 1.029 192 D CA 0.645 54.591 54.000 -0.090 0.000 0.879 192 D CB 0.252 40.983 40.800 -0.115 0.000 0.906 192 D HN 0.412 nan 8.370 nan 0.000 0.528 193 G N 1.264 110.009 108.800 -0.092 0.000 2.198 193 G HA2 -0.393 3.567 3.960 0.001 0.000 0.260 193 G HA3 -0.393 3.567 3.960 0.001 0.000 0.260 193 G C 1.166 175.999 174.900 -0.113 0.000 1.025 193 G CA 0.168 45.227 45.100 -0.070 0.000 0.769 193 G HN 0.344 nan 8.290 nan 0.000 0.507 194 R N -1.272 119.085 120.500 -0.238 0.000 2.236 194 R HA 0.165 4.505 4.340 0.001 0.000 0.208 194 R C 1.508 177.655 176.300 -0.255 0.000 1.036 194 R CA 0.900 56.832 56.100 -0.280 0.000 1.001 194 R CB -0.123 29.944 30.300 -0.389 0.000 0.896 194 R HN 0.430 nan 8.270 nan 0.000 0.464 195 F N 0.742 120.667 119.950 -0.041 0.000 2.776 195 F HA 0.143 4.670 4.527 0.001 0.000 0.300 195 F C 2.073 177.816 175.800 -0.095 0.000 1.116 195 F CA -0.027 57.937 58.000 -0.060 0.000 1.375 195 F CB -0.205 38.775 39.000 -0.034 0.000 1.109 195 F HN -0.143 nan 8.300 nan 0.000 0.585 196 K N 0.746 121.176 120.400 0.050 0.000 1.991 196 K HA -0.205 4.115 4.320 0.001 0.000 0.212 196 K C 1.683 178.232 176.600 -0.085 0.000 1.049 196 K CA 2.044 58.331 56.287 -0.000 0.000 0.932 196 K CB -0.191 32.303 32.500 -0.010 0.000 0.717 196 K HN 0.005 nan 8.250 nan 0.000 0.441 197 D N 0.582 120.896 120.400 -0.144 0.000 2.126 197 D HA -0.231 4.410 4.640 0.001 0.000 0.190 197 D C 1.889 177.795 176.300 -0.658 0.000 1.001 197 D CA 1.980 55.801 54.000 -0.299 0.000 0.841 197 D CB -0.207 40.452 40.800 -0.234 0.000 0.949 197 D HN 0.588 nan 8.370 nan 0.000 0.446 198 E N 0.254 119.971 120.200 -0.804 0.000 2.158 198 E HA -0.073 4.277 4.350 0.001 0.000 0.191 198 E C 0.925 177.332 176.600 -0.321 0.000 0.982 198 E CA 0.228 56.088 56.400 -0.900 0.000 0.823 198 E CB -0.067 29.317 29.700 -0.527 0.000 0.766 198 E HN 0.250 nan 8.360 nan 0.000 0.468 199 I N 2.853 123.321 120.570 -0.170 0.000 2.452 199 I HA 0.030 4.200 4.170 0.001 0.000 0.287 199 I C -0.213 175.880 176.117 -0.039 0.000 1.079 199 I CA -0.422 60.844 61.300 -0.056 0.000 1.387 199 I CB 1.511 39.512 38.000 0.002 0.000 1.404 199 I HN -0.005 nan 8.210 nan 0.000 0.522 200 V N 9.848 129.761 119.914 -0.002 0.000 2.383 200 V HA 0.411 4.532 4.120 0.001 0.000 0.275 200 V C -2.106 174.028 176.094 0.068 0.000 1.036 200 V CA -2.015 60.299 62.300 0.023 0.000 0.889 200 V CB 1.489 33.330 31.823 0.030 0.000 0.985 200 V HN 0.520 nan 8.190 nan 0.000 0.459 201 P HA 0.132 nan 4.420 nan 0.000 0.266 201 P C -1.219 176.161 177.300 0.133 0.000 1.195 201 P CA 0.305 63.462 63.100 0.095 0.000 0.768 201 P CB 0.177 31.905 31.700 0.047 0.000 0.838 202 F N 3.472 123.454 119.950 0.054 0.000 2.495 202 F HA 0.455 4.983 4.527 0.001 0.000 0.327 202 F C -0.508 175.320 175.800 0.046 0.000 1.103 202 F CA -1.030 56.976 58.000 0.011 0.000 0.949 202 F CB 0.945 39.905 39.000 -0.067 0.000 1.142 202 F HN 0.084 nan 8.300 nan 0.000 0.457 203 I N 7.385 127.502 120.570 -0.755 0.000 2.297 203 I HA 0.182 4.352 4.170 0.001 0.000 0.291 203 I C -0.451 175.409 176.117 -0.429 0.000 1.033 203 I CA -0.684 60.365 61.300 -0.417 0.000 1.253 203 I CB 0.956 38.759 38.000 -0.327 0.000 1.396 203 I HN 0.243 nan 8.210 nan 0.000 0.476 204 V N 7.404 127.337 119.914 0.032 0.000 2.381 204 V HA 0.064 4.184 4.120 0.001 0.000 0.257 204 V C 0.964 177.090 176.094 0.053 0.000 1.057 204 V CA -0.605 61.808 62.300 0.189 0.000 1.013 204 V CB -0.463 31.539 31.823 0.298 0.000 1.069 204 V HN 0.548 nan 8.190 nan 0.000 0.484 205 K N 3.961 124.369 120.400 0.014 0.000 2.416 205 K HA 0.394 4.714 4.320 0.001 0.000 0.283 205 K C 0.499 177.110 176.600 0.018 0.000 1.037 205 K CA 0.254 56.535 56.287 -0.011 0.000 0.995 205 K CB 1.413 33.900 32.500 -0.022 0.000 0.938 205 K HN 0.840 nan 8.250 nan 0.000 0.475 206 G N 1.748 110.553 108.800 0.008 0.000 2.730 206 G HA2 0.337 4.298 3.960 0.001 0.000 0.289 206 G HA3 0.337 4.298 3.960 0.001 0.000 0.289 206 G C 0.544 175.448 174.900 0.007 0.000 1.341 206 G CA -0.595 44.514 45.100 0.014 0.000 0.932 206 G HN 0.444 nan 8.290 nan 0.000 0.481 207 R N 0.084 120.589 120.500 0.008 0.000 2.062 207 R HA 0.163 4.504 4.340 0.001 0.000 0.218 207 R C 0.685 176.986 176.300 0.003 0.000 1.161 207 R CA 0.556 56.659 56.100 0.005 0.000 0.994 207 R CB -0.537 29.766 30.300 0.006 0.000 0.888 207 R HN 0.392 nan 8.270 nan 0.000 0.442 208 K N 1.344 121.746 120.400 0.004 0.000 3.129 208 K HA 0.329 4.649 4.320 0.001 0.000 0.241 208 K C -0.523 176.078 176.600 0.002 0.000 1.239 208 K CA 0.288 56.576 56.287 0.002 0.000 1.239 208 K CB 0.606 33.107 32.500 0.002 0.000 1.347 208 K HN 0.577 nan 8.250 nan 0.000 0.435 209 G N 1.533 110.334 108.800 0.002 0.000 3.014 209 G HA2 -0.131 3.830 3.960 0.001 0.000 0.683 209 G HA3 -0.131 3.830 3.960 0.001 0.000 0.683 209 G C -1.310 173.592 174.900 0.003 0.000 1.271 209 G CA -1.173 43.927 45.100 0.001 0.000 0.843 209 G HN 0.165 nan 8.290 nan 0.000 0.612 210 D N 0.103 120.502 120.400 -0.003 0.000 2.362 210 D HA 0.626 5.267 4.640 0.001 0.000 0.242 210 D C 0.832 177.135 176.300 0.005 0.000 1.132 210 D CA 0.506 54.504 54.000 -0.004 0.000 0.907 210 D CB 1.096 41.883 40.800 -0.022 0.000 1.195 210 D HN 0.508 nan 8.370 nan 0.000 0.429 211 I N 0.596 121.176 120.570 0.017 0.000 2.569 211 I HA 0.143 4.314 4.170 0.001 0.000 0.290 211 I C -0.444 175.703 176.117 0.050 0.000 1.088 211 I CA -0.585 60.736 61.300 0.035 0.000 1.047 211 I CB 2.277 40.308 38.000 0.051 0.000 1.237 211 I HN 0.043 nan 8.210 nan 0.000 0.421 212 T N 5.431 120.011 114.554 0.043 0.000 2.743 212 T HA 0.391 4.742 4.350 0.001 0.000 0.292 212 T C -0.174 174.581 174.700 0.091 0.000 0.972 212 T CA -0.405 61.729 62.100 0.058 0.000 0.967 212 T CB 1.097 69.980 68.868 0.026 0.000 0.926 212 T HN 0.165 nan 8.240 nan 0.000 0.459 213 V N 4.810 124.827 119.914 0.171 0.000 2.350 213 V HA 0.372 4.492 4.120 0.001 0.000 0.276 213 V C 0.331 176.531 176.094 0.176 0.000 1.028 213 V CA -0.650 61.750 62.300 0.166 0.000 0.860 213 V CB 1.194 33.154 31.823 0.228 0.000 0.990 213 V HN 1.006 nan 8.190 nan 0.000 0.453 214 D N 2.773 123.234 120.400 0.103 0.000 2.602 214 D HA 0.364 5.004 4.640 0.001 0.000 0.265 214 D C -0.091 176.251 176.300 0.069 0.000 1.454 214 D CA 0.112 54.166 54.000 0.090 0.000 0.795 214 D CB 0.927 41.767 40.800 0.067 0.000 1.140 214 D HN 0.553 nan 8.370 nan 0.000 0.486 215 A N 0.240 123.091 122.820 0.052 0.000 2.398 215 A HA 0.471 4.791 4.320 0.001 0.000 0.301 215 A C -0.982 176.612 177.584 0.016 0.000 1.041 215 A CA -0.758 51.310 52.037 0.051 0.000 0.711 215 A CB 1.306 20.340 19.000 0.056 0.000 1.240 215 A HN -0.024 nan 8.150 nan 0.000 0.420 216 D N 2.404 122.810 120.400 0.010 0.000 2.389 216 D HA 0.076 4.716 4.640 0.001 0.000 0.263 216 D C 1.138 177.452 176.300 0.023 0.000 1.255 216 D CA 0.543 54.526 54.000 -0.028 0.000 0.914 216 D CB 1.023 41.752 40.800 -0.118 0.000 1.116 216 D HN 0.777 nan 8.370 nan 0.000 0.502 217 E N 1.895 122.097 120.200 0.003 0.000 2.447 217 E HA -0.157 4.193 4.350 0.001 0.000 0.195 217 E C 1.272 177.928 176.600 0.093 0.000 1.028 217 E CA 0.129 56.540 56.400 0.017 0.000 0.876 217 E CB -0.078 29.588 29.700 -0.057 0.000 0.885 217 E HN 0.446 nan 8.360 nan 0.000 0.500 218 Y N 1.868 122.156 120.300 -0.021 0.000 2.475 218 Y HA 0.210 4.760 4.550 0.001 0.000 0.289 218 Y C 0.527 176.445 175.900 0.030 0.000 1.121 218 Y CA -0.426 57.676 58.100 0.003 0.000 1.257 218 Y CB 0.229 38.688 38.460 -0.002 0.000 1.026 218 Y HN -0.107 nan 8.280 nan 0.000 0.555 219 I N 3.588 124.171 120.570 0.022 0.000 2.742 219 I HA -0.111 4.059 4.170 0.001 0.000 0.287 219 I C 0.081 176.202 176.117 0.007 0.000 1.186 219 I CA 0.694 61.983 61.300 -0.018 0.000 1.417 219 I CB 0.197 38.228 38.000 0.051 0.000 1.377 219 I HN 0.067 nan 8.210 nan 0.000 0.556 220 R N 5.616 126.066 120.500 -0.085 0.000 2.234 220 R HA 0.329 4.670 4.340 0.001 0.000 0.324 220 R C -0.629 175.708 176.300 0.061 0.000 1.054 220 R CA -0.879 55.213 56.100 -0.012 0.000 0.912 220 R CB 0.232 30.478 30.300 -0.090 0.000 1.030 220 R HN 0.455 nan 8.270 nan 0.000 0.455 221 H N 1.046 120.082 119.070 -0.056 0.000 2.764 221 H HA 0.169 4.726 4.556 0.001 0.000 0.341 221 H C 1.346 176.652 175.328 -0.036 0.000 1.072 221 H CA 0.792 56.818 56.048 -0.036 0.000 1.444 221 H CB 0.995 30.741 29.762 -0.026 0.000 1.458 221 H HN 0.944 nan 8.280 nan 0.000 0.572 222 G N 1.671 110.490 108.800 0.032 0.000 2.246 222 G HA2 -0.186 3.775 3.960 0.001 0.000 0.273 222 G HA3 -0.186 3.775 3.960 0.001 0.000 0.273 222 G C 0.367 175.265 174.900 -0.005 0.000 1.055 222 G CA 0.038 45.145 45.100 0.011 0.000 0.851 222 G HN 0.926 nan 8.290 nan 0.000 0.500 223 A N 0.411 123.217 122.820 -0.023 0.000 2.522 223 A HA 0.602 4.923 4.320 0.001 0.000 0.256 223 A C 1.042 178.613 177.584 -0.021 0.000 1.086 223 A CA 1.367 53.387 52.037 -0.027 0.000 0.763 223 A CB 0.161 19.134 19.000 -0.044 0.000 1.024 223 A HN 1.969 nan 8.150 nan 0.000 0.502 224 T N 0.953 115.499 114.554 -0.013 0.000 2.952 224 T HA 0.428 4.778 4.350 0.001 0.000 0.286 224 T C 0.862 175.560 174.700 -0.003 0.000 1.024 224 T CA -0.488 61.608 62.100 -0.008 0.000 1.029 224 T CB 0.902 69.767 68.868 -0.004 0.000 1.094 224 T HN 0.619 nan 8.240 nan 0.000 0.515 225 L N 1.410 122.634 121.223 0.001 0.000 2.109 225 L HA 0.191 4.532 4.340 0.001 0.000 0.207 225 L C 2.073 178.949 176.870 0.010 0.000 1.086 225 L CA 2.147 56.992 54.840 0.009 0.000 0.760 225 L CB -0.956 41.110 42.059 0.011 0.000 0.910 225 L HN 0.981 nan 8.230 nan 0.000 0.437 226 D N -1.287 119.117 120.400 0.006 0.000 2.117 226 D HA -0.209 4.432 4.640 0.001 0.000 0.197 226 D C 2.268 178.571 176.300 0.005 0.000 0.987 226 D CA 1.371 55.375 54.000 0.006 0.000 0.829 226 D CB 0.059 40.861 40.800 0.004 0.000 0.961 226 D HN 0.521 nan 8.370 nan 0.000 0.460 227 S N -0.689 115.013 115.700 0.003 0.000 2.383 227 S HA -0.207 4.263 4.470 0.001 0.000 0.227 227 S C 1.974 176.576 174.600 0.004 0.000 1.026 227 S CA 0.823 59.024 58.200 0.001 0.000 0.981 227 S CB -0.404 62.794 63.200 -0.003 0.000 0.818 227 S HN 0.168 nan 8.310 nan 0.000 0.472 228 M N 2.769 122.374 119.600 0.008 0.000 2.067 228 M HA 0.218 4.699 4.480 0.001 0.000 0.260 228 M C 2.260 178.572 176.300 0.020 0.000 1.069 228 M CA 1.550 56.861 55.300 0.017 0.000 1.117 228 M CB -1.207 31.408 32.600 0.024 0.000 1.334 228 M HN 0.458 nan 8.290 nan 0.000 0.407 229 A N -1.267 121.563 122.820 0.018 0.000 2.248 229 A HA -0.105 4.215 4.320 0.001 0.000 0.210 229 A C 2.014 179.605 177.584 0.011 0.000 1.174 229 A CA 1.170 53.217 52.037 0.017 0.000 0.750 229 A CB -0.680 18.330 19.000 0.017 0.000 0.780 229 A HN 0.555 nan 8.150 nan 0.000 0.478 230 K N -0.750 119.655 120.400 0.008 0.000 2.323 230 K HA 0.244 4.565 4.320 0.001 0.000 0.197 230 K C 0.170 176.770 176.600 0.001 0.000 1.043 230 K CA -0.117 56.172 56.287 0.004 0.000 0.997 230 K CB -0.020 32.481 32.500 0.002 0.000 0.807 230 K HN 0.433 nan 8.250 nan 0.000 0.497 231 L N 1.249 122.473 121.223 0.002 0.000 2.474 231 L HA 0.102 4.442 4.340 0.001 0.000 0.259 231 L C 0.345 177.209 176.870 -0.011 0.000 1.232 231 L CA -0.189 54.647 54.840 -0.005 0.000 0.821 231 L CB 0.224 42.282 42.059 -0.002 0.000 1.108 231 L HN -0.036 nan 8.230 nan 0.000 0.495 232 R N 0.620 121.104 120.500 -0.026 0.000 2.532 232 R HA 0.364 4.704 4.340 0.001 0.000 0.295 232 R C -2.368 173.897 176.300 -0.058 0.000 0.968 232 R CA -1.645 54.434 56.100 -0.035 0.000 0.916 232 R CB 0.910 31.186 30.300 -0.040 0.000 1.124 232 R HN 0.302 nan 8.270 nan 0.000 0.463 233 P HA -0.094 nan 4.420 nan 0.000 0.260 233 P C -0.414 176.784 177.300 -0.170 0.000 1.172 233 P CA 0.488 63.546 63.100 -0.071 0.000 0.760 233 P CB 0.845 32.529 31.700 -0.027 0.000 0.773 234 A N 2.475 125.082 122.820 -0.356 0.000 2.030 234 A HA 0.036 4.357 4.320 0.001 0.000 0.215 234 A C 1.064 178.189 177.584 -0.766 0.000 1.164 234 A CA 1.089 52.718 52.037 -0.680 0.000 0.697 234 A CB -0.641 17.705 19.000 -1.090 0.000 0.827 234 A HN 0.458 nan 8.150 nan 0.000 0.457 235 F N -0.637 119.268 119.950 -0.075 0.000 2.534 235 F HA 0.264 4.792 4.527 0.001 0.000 0.274 235 F C 0.784 176.543 175.800 -0.068 0.000 0.917 235 F CA -0.489 57.456 58.000 -0.092 0.000 1.145 235 F CB -0.642 38.288 39.000 -0.118 0.000 1.145 235 F HN -0.019 nan 8.300 nan 0.000 0.746 236 D N 0.492 120.970 120.400 0.130 0.000 2.313 236 D HA 0.164 4.805 4.640 0.001 0.000 0.247 236 D C 0.616 176.923 176.300 0.010 0.000 1.094 236 D CA 0.207 54.232 54.000 0.042 0.000 0.925 236 D CB 1.619 42.432 40.800 0.022 0.000 1.188 236 D HN -0.157 nan 8.370 nan 0.000 0.430 237 K N 0.490 120.892 120.400 0.002 0.000 2.334 237 K HA 0.057 4.377 4.320 0.001 0.000 0.195 237 K C 0.584 177.182 176.600 -0.005 0.000 1.045 237 K CA 0.496 56.780 56.287 -0.006 0.000 1.004 237 K CB 0.250 32.748 32.500 -0.003 0.000 0.837 237 K HN 0.607 nan 8.250 nan 0.000 0.510 238 E N -0.743 119.456 120.200 -0.001 0.000 2.736 238 E HA 0.266 4.616 4.350 0.001 0.000 0.208 238 E C 0.543 177.144 176.600 0.002 0.000 0.996 238 E CA -0.469 55.931 56.400 -0.000 0.000 1.104 238 E CB 0.398 30.098 29.700 -0.000 0.000 1.111 238 E HN 0.041 nan 8.360 nan 0.000 0.455 239 G N 0.199 109.002 108.800 0.005 0.000 2.508 239 G HA2 0.141 4.101 3.960 0.001 0.000 0.278 239 G HA3 0.141 4.101 3.960 0.001 0.000 0.278 239 G C 0.336 175.248 174.900 0.020 0.000 1.389 239 G CA 0.297 45.404 45.100 0.012 0.000 1.050 239 G HN 0.136 nan 8.290 nan 0.000 0.522 240 T N -2.053 112.520 114.554 0.032 0.000 3.009 240 T HA 0.224 4.575 4.350 0.001 0.000 0.267 240 T C 0.199 174.940 174.700 0.068 0.000 0.942 240 T CA -0.073 62.051 62.100 0.040 0.000 0.883 240 T CB 0.132 69.019 68.868 0.031 0.000 1.192 240 T HN 0.170 nan 8.240 nan 0.000 0.524 241 V N 3.723 123.697 119.914 0.100 0.000 2.432 241 V HA 0.563 4.683 4.120 0.001 0.000 0.275 241 V C 0.711 176.895 176.094 0.150 0.000 1.043 241 V CA -0.238 62.169 62.300 0.177 0.000 0.925 241 V CB 1.031 33.007 31.823 0.255 0.000 0.985 241 V HN 0.628 nan 8.190 nan 0.000 0.466 242 T N 2.171 116.804 114.554 0.132 0.000 2.910 242 T HA 0.675 5.026 4.350 0.001 0.000 0.287 242 T C 1.083 175.835 174.700 0.087 0.000 1.050 242 T CA -0.011 62.115 62.100 0.043 0.000 1.011 242 T CB 1.992 70.877 68.868 0.028 0.000 1.195 242 T HN 0.594 nan 8.240 nan 0.000 0.540 243 A N 0.143 122.970 122.820 0.011 0.000 2.015 243 A HA 0.256 4.577 4.320 0.001 0.000 0.219 243 A C 2.275 179.919 177.584 0.100 0.000 1.163 243 A CA 1.628 53.698 52.037 0.055 0.000 0.646 243 A CB -1.486 17.516 19.000 0.004 0.000 0.806 243 A HN 1.112 nan 8.150 nan 0.000 0.448 244 G N 0.669 109.512 108.800 0.073 0.000 2.421 244 G HA2 -0.164 3.797 3.960 0.001 0.000 0.217 244 G HA3 -0.164 3.797 3.960 0.001 0.000 0.217 244 G C 1.014 175.973 174.900 0.099 0.000 1.143 244 G CA 1.068 46.208 45.100 0.068 0.000 0.784 244 G HN 0.765 nan 8.290 nan 0.000 0.541 245 N N -0.066 118.716 118.700 0.136 0.000 2.214 245 N HA 0.475 5.215 4.740 0.001 0.000 0.214 245 N C 0.264 175.917 175.510 0.238 0.000 1.132 245 N CA 0.204 53.361 53.050 0.179 0.000 0.856 245 N CB 0.517 39.107 38.487 0.171 0.000 1.020 245 N HN 0.272 nan 8.380 nan 0.000 0.509 246 A N -0.692 122.278 122.820 0.250 0.000 2.330 246 A HA 0.719 5.039 4.320 0.001 0.000 0.329 246 A C 0.018 177.654 177.584 0.088 0.000 1.135 246 A CA -0.689 51.487 52.037 0.232 0.000 0.817 246 A CB 1.185 20.476 19.000 0.484 0.000 1.269 246 A HN 0.183 nan 8.150 nan 0.000 0.469 247 S N -0.654 114.981 115.700 -0.108 0.000 2.624 247 S HA 0.563 5.034 4.470 0.001 0.000 0.263 247 S C 0.803 175.413 174.600 0.015 0.000 1.287 247 S CA 0.197 58.381 58.200 -0.028 0.000 0.990 247 S CB 0.583 63.695 63.200 -0.147 0.000 0.950 247 S HN 1.288 nan 8.310 nan 0.000 0.561 248 G N 0.398 109.172 108.800 -0.043 0.000 2.606 248 G HA2 0.576 4.536 3.960 0.001 0.000 0.262 248 G HA3 0.576 4.536 3.960 0.001 0.000 0.262 248 G C -1.284 173.478 174.900 -0.231 0.000 1.394 248 G CA -0.788 44.199 45.100 -0.188 0.000 1.044 248 G HN 0.681 nan 8.290 nan 0.000 0.553 249 L N 0.654 121.692 121.223 -0.307 0.000 2.305 249 L HA 0.473 4.813 4.340 0.001 0.000 0.284 249 L C -0.688 176.081 176.870 -0.168 0.000 1.013 249 L CA -0.560 54.108 54.840 -0.287 0.000 0.819 249 L CB 1.634 43.317 42.059 -0.627 0.000 1.227 249 L HN 0.460 nan 8.230 nan 0.000 0.417 250 N N 1.012 119.650 118.700 -0.104 0.000 2.525 250 N HA 0.524 5.265 4.740 0.001 0.000 0.270 250 N C -1.839 173.677 175.510 0.010 0.000 1.321 250 N CA -0.950 52.060 53.050 -0.066 0.000 0.797 250 N CB 1.992 40.377 38.487 -0.169 0.000 1.529 250 N HN 0.391 nan 8.380 nan 0.000 0.491 251 D N -0.339 120.091 120.400 0.050 0.000 2.342 251 D HA 0.761 5.402 4.640 0.001 0.000 0.243 251 D C 0.046 176.415 176.300 0.114 0.000 1.019 251 D CA -0.351 53.703 54.000 0.090 0.000 0.864 251 D CB 1.940 42.850 40.800 0.183 0.000 1.315 251 D HN 0.659 nan 8.370 nan 0.000 0.468 252 G N -0.835 107.972 108.800 0.013 0.000 2.324 252 G HA2 0.603 4.563 3.960 0.001 0.000 0.293 252 G HA3 0.603 4.563 3.960 0.001 0.000 0.293 252 G C -2.006 172.832 174.900 -0.102 0.000 1.297 252 G CA -0.183 44.897 45.100 -0.033 0.000 0.853 252 G HN 0.661 nan 8.290 nan 0.000 0.535 253 A N -1.345 121.410 122.820 -0.109 0.000 2.587 253 A HA 1.155 5.476 4.320 0.001 0.000 0.293 253 A C -0.337 177.213 177.584 -0.056 0.000 1.087 253 A CA 0.287 52.265 52.037 -0.097 0.000 0.692 253 A CB 1.542 20.459 19.000 -0.138 0.000 1.291 253 A HN 2.646 nan 8.150 nan 0.000 0.407 254 A N -0.390 122.406 122.820 -0.041 0.000 2.594 254 A HA 0.990 5.310 4.320 0.001 0.000 0.296 254 A C -0.550 177.025 177.584 -0.015 0.000 1.061 254 A CA 0.201 52.230 52.037 -0.013 0.000 0.689 254 A CB 0.914 19.915 19.000 0.002 0.000 1.280 254 A HN 2.704 nan 8.150 nan 0.000 0.406 255 A N -0.002 122.821 122.820 0.005 0.000 2.588 255 A HA 1.081 5.401 4.320 0.001 0.000 0.290 255 A C -0.607 176.986 177.584 0.015 0.000 1.136 255 A CA -0.109 51.924 52.037 -0.008 0.000 0.681 255 A CB 1.116 20.104 19.000 -0.020 0.000 1.282 255 A HN 2.692 nan 8.150 nan 0.000 0.421 256 A N -0.026 122.790 122.820 -0.007 0.000 2.488 256 A HA 0.659 4.979 4.320 0.001 0.000 0.298 256 A C -1.328 176.246 177.584 -0.016 0.000 1.044 256 A CA -0.297 51.739 52.037 -0.001 0.000 0.693 256 A CB 1.050 20.044 19.000 -0.011 0.000 1.272 256 A HN 1.434 nan 8.150 nan 0.000 0.402 257 L N 3.444 124.663 121.223 -0.007 0.000 2.281 257 L HA 0.483 4.823 4.340 0.001 0.000 0.285 257 L C -1.182 175.678 176.870 -0.016 0.000 1.074 257 L CA -0.698 54.136 54.840 -0.011 0.000 0.817 257 L CB 0.486 42.545 42.059 -0.000 0.000 1.168 257 L HN 0.554 nan 8.230 nan 0.000 0.434 258 L N 6.639 127.850 121.223 -0.020 0.000 2.334 258 L HA 0.671 5.012 4.340 0.001 0.000 0.276 258 L C -0.054 176.810 176.870 -0.010 0.000 1.014 258 L CA -0.412 54.417 54.840 -0.018 0.000 0.815 258 L CB 1.450 43.493 42.059 -0.027 0.000 1.268 258 L HN 0.792 nan 8.230 nan 0.000 0.428 259 M N 0.144 119.740 119.600 -0.006 0.000 2.833 259 M HA 0.461 4.942 4.480 0.001 0.000 0.270 259 M C -0.497 175.804 176.300 0.003 0.000 1.209 259 M CA -0.693 54.607 55.300 -0.000 0.000 0.826 259 M CB 2.096 34.697 32.600 0.001 0.000 1.657 259 M HN 0.435 nan 8.290 nan 0.000 0.492 260 S N 0.095 115.799 115.700 0.006 0.000 2.572 260 S HA 0.098 4.569 4.470 0.001 0.000 0.279 260 S C 0.719 175.323 174.600 0.008 0.000 1.341 260 S CA 0.615 58.820 58.200 0.008 0.000 1.043 260 S CB 1.088 64.294 63.200 0.010 0.000 0.887 260 S HN 0.978 nan 8.310 nan 0.000 0.516 261 E N 2.853 123.059 120.200 0.010 0.000 2.085 261 E HA -0.194 4.156 4.350 0.001 0.000 0.194 261 E C 2.101 178.706 176.600 0.009 0.000 0.994 261 E CA 1.418 57.824 56.400 0.010 0.000 0.801 261 E CB -0.593 29.115 29.700 0.013 0.000 0.743 261 E HN 0.892 nan 8.360 nan 0.000 0.453 262 A N 0.947 123.773 122.820 0.010 0.000 1.902 262 A HA -0.249 4.072 4.320 0.001 0.000 0.217 262 A C 2.040 179.629 177.584 0.008 0.000 1.181 262 A CA 1.818 53.861 52.037 0.009 0.000 0.623 262 A CB -0.679 18.326 19.000 0.009 0.000 0.818 262 A HN 0.396 nan 8.150 nan 0.000 0.443 263 E N 0.238 120.443 120.200 0.007 0.000 2.097 263 E HA -0.150 4.200 4.350 0.001 0.000 0.196 263 E C 1.918 178.522 176.600 0.006 0.000 1.000 263 E CA 1.745 58.149 56.400 0.007 0.000 0.804 263 E CB -0.384 29.320 29.700 0.006 0.000 0.740 263 E HN 0.511 nan 8.360 nan 0.000 0.454 264 A N -0.204 122.619 122.820 0.005 0.000 1.968 264 A HA -0.117 4.204 4.320 0.001 0.000 0.217 264 A C 2.359 179.945 177.584 0.005 0.000 1.169 264 A CA 1.638 53.677 52.037 0.004 0.000 0.638 264 A CB -0.811 18.190 19.000 0.002 0.000 0.812 264 A HN 0.330 nan 8.150 nan 0.000 0.446 265 S N -0.458 115.246 115.700 0.006 0.000 2.383 265 S HA -0.158 4.312 4.470 0.001 0.000 0.227 265 S C 2.135 176.739 174.600 0.006 0.000 1.026 265 S CA 1.223 59.427 58.200 0.006 0.000 0.981 265 S CB -0.357 62.847 63.200 0.007 0.000 0.818 265 S HN 0.610 nan 8.310 nan 0.000 0.472 266 R N 0.268 120.771 120.500 0.006 0.000 2.139 266 R HA 0.014 4.354 4.340 0.001 0.000 0.243 266 R C 2.043 178.346 176.300 0.006 0.000 1.145 266 R CA 1.516 57.620 56.100 0.006 0.000 0.976 266 R CB -0.176 30.128 30.300 0.006 0.000 0.866 266 R HN 0.384 nan 8.270 nan 0.000 0.449 267 R N -0.839 119.665 120.500 0.006 0.000 2.362 267 R HA 0.142 4.482 4.340 0.001 0.000 0.227 267 R C 0.703 177.007 176.300 0.006 0.000 0.905 267 R CA 0.428 56.532 56.100 0.006 0.000 1.067 267 R CB 1.039 31.342 30.300 0.006 0.000 1.078 267 R HN 0.307 nan 8.270 nan 0.000 0.516 268 G N 1.951 110.754 108.800 0.006 0.000 2.225 268 G HA2 -0.293 3.668 3.960 0.001 0.000 0.267 268 G HA3 -0.293 3.668 3.960 0.001 0.000 0.267 268 G C 0.133 175.037 174.900 0.006 0.000 1.024 268 G CA 0.103 45.207 45.100 0.006 0.000 0.784 268 G HN 0.278 nan 8.290 nan 0.000 0.507 269 I N 0.457 121.030 120.570 0.005 0.000 2.395 269 I HA 0.201 4.371 4.170 0.001 0.000 0.289 269 I C 0.249 176.366 176.117 0.001 0.000 1.023 269 I CA -0.467 60.835 61.300 0.004 0.000 1.350 269 I CB 1.159 39.161 38.000 0.003 0.000 1.409 269 I HN -0.002 nan 8.210 nan 0.000 0.507 270 Q N 7.398 127.198 119.800 -0.001 0.000 2.503 270 Q HA 0.349 4.689 4.340 0.001 0.000 0.227 270 Q C -2.268 173.721 176.000 -0.018 0.000 1.109 270 Q CA -1.896 53.904 55.803 -0.006 0.000 0.922 270 Q CB 0.380 29.117 28.738 -0.003 0.000 1.249 270 Q HN 0.314 nan 8.270 nan 0.000 0.530 271 P HA 0.032 nan 4.420 nan 0.000 0.268 271 P C 0.661 177.927 177.300 -0.058 0.000 1.205 271 P CA -0.469 62.610 63.100 -0.035 0.000 0.771 271 P CB 0.801 32.489 31.700 -0.021 0.000 0.858 272 L N 1.151 122.315 121.223 -0.099 0.000 2.353 272 L HA 0.166 4.507 4.340 0.001 0.000 0.220 272 L C 1.294 178.107 176.870 -0.094 0.000 1.133 272 L CA 1.456 56.205 54.840 -0.152 0.000 0.798 272 L CB -1.422 40.477 42.059 -0.267 0.000 0.922 272 L HN 0.714 nan 8.230 nan 0.000 0.445 273 G N -1.586 107.183 108.800 -0.051 0.000 2.338 273 G HA2 0.306 4.267 3.960 0.001 0.000 0.295 273 G HA3 0.306 4.267 3.960 0.001 0.000 0.295 273 G C -1.360 173.544 174.900 0.007 0.000 1.461 273 G CA -0.959 44.134 45.100 -0.011 0.000 0.817 273 G HN -0.052 nan 8.290 nan 0.000 0.556 274 R N 0.259 120.779 120.500 0.034 0.000 2.346 274 R HA 0.625 4.966 4.340 0.001 0.000 0.311 274 R C -0.306 176.020 176.300 0.043 0.000 0.983 274 R CA -0.816 55.306 56.100 0.037 0.000 0.880 274 R CB 0.808 31.137 30.300 0.048 0.000 1.100 274 R HN 0.401 nan 8.270 nan 0.000 0.453 275 I N 6.498 127.085 120.570 0.028 0.000 2.363 275 I HA -0.016 4.154 4.170 0.001 0.000 0.292 275 I C 1.514 177.638 176.117 0.012 0.000 1.075 275 I CA -0.228 61.089 61.300 0.029 0.000 1.333 275 I CB 1.419 39.437 38.000 0.031 0.000 1.415 275 I HN 0.633 nan 8.210 nan 0.000 0.502 276 V N 2.857 122.749 119.914 -0.038 0.000 2.575 276 V HA 0.162 4.283 4.120 0.001 0.000 0.242 276 V C 0.773 176.779 176.094 -0.148 0.000 1.045 276 V CA 1.169 63.390 62.300 -0.131 0.000 1.065 276 V CB 0.118 31.761 31.823 -0.300 0.000 0.717 276 V HN 0.743 nan 8.190 nan 0.000 0.467 277 S N -0.527 115.099 115.700 -0.123 0.000 2.615 277 S HA 0.693 5.164 4.470 0.001 0.000 0.269 277 S C -1.369 173.302 174.600 0.118 0.000 1.161 277 S CA -0.213 57.949 58.200 -0.064 0.000 0.817 277 S CB 1.920 64.985 63.200 -0.224 0.000 1.131 277 S HN 1.417 nan 8.310 nan 0.000 0.467 278 W N 0.103 121.364 121.300 -0.065 0.000 3.066 278 W HA 0.806 5.467 4.660 0.001 0.000 0.330 278 W C -1.970 174.540 176.519 -0.015 0.000 1.253 278 W CA -0.810 56.519 57.345 -0.027 0.000 1.187 278 W CB 0.928 30.382 29.460 -0.010 0.000 1.434 278 W HN 1.545 nan 8.180 nan 0.000 0.572 279 A N 1.345 124.056 122.820 -0.182 0.000 2.582 279 A HA 0.593 4.914 4.320 0.001 0.000 0.297 279 A C -1.728 175.836 177.584 -0.032 0.000 1.059 279 A CA -0.303 51.448 52.037 -0.477 0.000 0.705 279 A CB 1.536 20.358 19.000 -0.297 0.000 1.279 279 A HN 0.775 nan 8.150 nan 0.000 0.404 280 T N 0.806 115.317 114.554 -0.072 0.000 2.861 280 T HA 0.709 5.059 4.350 0.001 0.000 0.287 280 T C -1.315 173.403 174.700 0.030 0.000 1.003 280 T CA -0.264 61.904 62.100 0.113 0.000 0.977 280 T CB 1.094 70.133 68.868 0.284 0.000 0.996 280 T HN 1.322 nan 8.240 nan 0.000 0.448 281 V N 2.595 122.537 119.914 0.047 0.000 3.012 281 V HA 0.817 4.938 4.120 0.001 0.000 0.307 281 V C 0.591 176.710 176.094 0.041 0.000 1.166 281 V CA -1.016 61.299 62.300 0.025 0.000 0.974 281 V CB 2.210 34.036 31.823 0.006 0.000 1.040 281 V HN 1.055 nan 8.190 nan 0.000 0.428 282 G N 0.880 109.697 108.800 0.029 0.000 2.412 282 G HA2 0.771 4.732 3.960 0.001 0.000 0.318 282 G HA3 0.771 4.732 3.960 0.001 0.000 0.318 282 G C -0.596 174.316 174.900 0.020 0.000 1.146 282 G CA -0.184 44.933 45.100 0.028 0.000 0.882 282 G HN 1.267 nan 8.290 nan 0.000 0.501 283 V N -1.522 118.406 119.914 0.023 0.000 3.103 283 V HA 0.637 4.758 4.120 0.001 0.000 0.311 283 V C -0.799 175.303 176.094 0.013 0.000 1.322 283 V CA -1.252 61.059 62.300 0.020 0.000 1.063 283 V CB 1.711 33.555 31.823 0.035 0.000 1.090 283 V HN 0.554 nan 8.190 nan 0.000 0.462 284 D N 1.669 122.077 120.400 0.014 0.000 2.401 284 D HA 0.315 4.955 4.640 0.001 0.000 0.254 284 D C -1.591 174.726 176.300 0.029 0.000 1.192 284 D CA -1.620 52.387 54.000 0.012 0.000 0.885 284 D CB 1.810 42.614 40.800 0.007 0.000 1.147 284 D HN 0.371 nan 8.370 nan 0.000 0.478 285 P HA -0.183 nan 4.420 nan 0.000 0.216 285 P C 0.953 178.295 177.300 0.070 0.000 1.150 285 P CA 1.448 64.620 63.100 0.119 0.000 0.843 285 P CB 0.210 32.059 31.700 0.249 0.000 0.787 286 K N -0.426 119.938 120.400 -0.059 0.000 2.209 286 K HA -0.040 4.280 4.320 0.001 0.000 0.204 286 K C 1.006 177.574 176.600 -0.054 0.000 1.048 286 K CA 1.380 57.578 56.287 -0.148 0.000 0.940 286 K CB -0.288 32.023 32.500 -0.315 0.000 0.729 286 K HN 0.189 nan 8.250 nan 0.000 0.451 287 V N -0.571 119.332 119.914 -0.018 0.000 2.699 287 V HA 0.145 4.265 4.120 0.001 0.000 0.311 287 V C 0.844 176.960 176.094 0.038 0.000 1.160 287 V CA -0.609 61.696 62.300 0.009 0.000 1.313 287 V CB 0.144 31.983 31.823 0.028 0.000 1.553 287 V HN 0.123 nan 8.190 nan 0.000 0.630 288 M N 0.623 120.251 119.600 0.048 0.000 2.346 288 M HA 0.200 4.681 4.480 0.001 0.000 0.263 288 M C 1.702 178.048 176.300 0.077 0.000 1.064 288 M CA 2.393 57.738 55.300 0.074 0.000 1.083 288 M CB -1.260 31.401 32.600 0.100 0.000 1.399 288 M HN 0.321 nan 8.290 nan 0.000 0.435 289 G N 0.167 109.006 108.800 0.065 0.000 2.471 289 G HA2 -0.124 3.837 3.960 0.001 0.000 0.219 289 G HA3 -0.124 3.837 3.960 0.001 0.000 0.219 289 G C 1.562 176.484 174.900 0.037 0.000 1.125 289 G CA 1.065 46.206 45.100 0.067 0.000 0.775 289 G HN 0.686 nan 8.290 nan 0.000 0.548 290 T N -1.643 112.940 114.554 0.047 0.000 3.055 290 T HA 0.151 4.502 4.350 0.001 0.000 0.265 290 T C 2.402 177.129 174.700 0.045 0.000 1.111 290 T CA 1.105 63.234 62.100 0.049 0.000 1.118 290 T CB -0.183 68.750 68.868 0.108 0.000 0.909 290 T HN 0.193 nan 8.240 nan 0.000 0.501 291 G N 3.102 111.935 108.800 0.055 0.000 2.679 291 G HA2 -0.240 3.720 3.960 0.001 0.000 0.222 291 G HA3 -0.240 3.720 3.960 0.001 0.000 0.222 291 G C -0.505 174.431 174.900 0.059 0.000 1.164 291 G CA 1.139 46.275 45.100 0.060 0.000 0.769 291 G HN 0.484 nan 8.290 nan 0.000 0.610 292 P HA -0.020 nan 4.420 nan 0.000 0.221 292 P C 1.778 179.106 177.300 0.047 0.000 1.145 292 P CA 0.627 63.777 63.100 0.084 0.000 0.795 292 P CB -0.042 31.724 31.700 0.111 0.000 0.775 293 I N 0.560 121.131 120.570 0.002 0.000 2.110 293 I HA -0.131 4.040 4.170 0.001 0.000 0.236 293 I C -0.392 175.713 176.117 -0.018 0.000 1.068 293 I CA 1.796 63.069 61.300 -0.044 0.000 1.333 293 I CB -2.008 35.975 38.000 -0.029 0.000 1.054 293 I HN 0.020 nan 8.210 nan 0.000 0.402 294 P HA -0.186 nan 4.420 nan 0.000 0.215 294 P C 1.474 178.779 177.300 0.008 0.000 1.157 294 P CA 2.143 65.245 63.100 0.004 0.000 0.868 294 P CB -0.111 31.595 31.700 0.010 0.000 0.788 295 A N 0.176 123.012 122.820 0.028 0.000 1.873 295 A HA -0.200 4.121 4.320 0.001 0.000 0.218 295 A C 2.523 180.141 177.584 0.056 0.000 1.193 295 A CA 2.576 54.637 52.037 0.041 0.000 0.629 295 A CB -1.661 17.386 19.000 0.078 0.000 0.826 295 A HN 0.191 nan 8.150 nan 0.000 0.447 296 S N -0.865 114.886 115.700 0.086 0.000 2.383 296 S HA -0.112 4.359 4.470 0.001 0.000 0.227 296 S C 2.077 176.733 174.600 0.093 0.000 1.026 296 S CA 1.321 59.605 58.200 0.141 0.000 0.981 296 S CB -0.257 63.073 63.200 0.217 0.000 0.818 296 S HN 0.592 nan 8.310 nan 0.000 0.472 297 R N 1.093 121.612 120.500 0.031 0.000 2.062 297 R HA 0.047 4.388 4.340 0.001 0.000 0.229 297 R C 2.394 178.698 176.300 0.005 0.000 1.128 297 R CA 0.853 56.962 56.100 0.015 0.000 0.960 297 R CB -0.211 30.081 30.300 -0.014 0.000 0.855 297 R HN 0.063 nan 8.270 nan 0.000 0.432 298 K N 1.284 121.674 120.400 -0.016 0.000 2.020 298 K HA -0.122 4.198 4.320 0.001 0.000 0.212 298 K C 1.926 178.481 176.600 -0.074 0.000 1.050 298 K CA 2.002 58.256 56.287 -0.055 0.000 0.929 298 K CB -0.515 31.938 32.500 -0.079 0.000 0.714 298 K HN 0.169 nan 8.250 nan 0.000 0.443 299 A N 1.101 123.890 122.820 -0.051 0.000 1.908 299 A HA -0.158 4.163 4.320 0.001 0.000 0.218 299 A C 2.503 180.049 177.584 -0.063 0.000 1.181 299 A CA 1.709 53.708 52.037 -0.063 0.000 0.627 299 A CB -0.653 18.359 19.000 0.019 0.000 0.818 299 A HN 0.334 nan 8.150 nan 0.000 0.445 300 L N -0.948 120.289 121.223 0.023 0.000 2.093 300 L HA -0.180 4.160 4.340 0.001 0.000 0.208 300 L C 2.668 179.555 176.870 0.028 0.000 1.085 300 L CA 1.721 56.612 54.840 0.084 0.000 0.755 300 L CB -0.424 41.741 42.059 0.177 0.000 0.904 300 L HN 0.625 nan 8.230 nan 0.000 0.435 301 E N 0.348 120.546 120.200 -0.003 0.000 2.106 301 E HA -0.217 4.133 4.350 0.001 0.000 0.192 301 E C 2.349 178.906 176.600 -0.071 0.000 0.984 301 E CA 0.920 57.308 56.400 -0.021 0.000 0.806 301 E CB 0.133 29.817 29.700 -0.027 0.000 0.750 301 E HN 0.374 nan 8.360 nan 0.000 0.458 302 R N -0.136 120.293 120.500 -0.119 0.000 2.075 302 R HA -0.033 4.307 4.340 0.001 0.000 0.232 302 R C 2.372 178.552 176.300 -0.201 0.000 1.126 302 R CA 0.991 56.996 56.100 -0.157 0.000 0.963 302 R CB -0.233 29.945 30.300 -0.203 0.000 0.858 302 R HN 0.160 nan 8.270 nan 0.000 0.435 303 A N 0.176 122.813 122.820 -0.305 0.000 2.070 303 A HA 0.010 4.330 4.320 0.001 0.000 0.220 303 A C 1.494 178.827 177.584 -0.418 0.000 1.159 303 A CA 1.266 52.961 52.037 -0.570 0.000 0.656 303 A CB -0.463 17.859 19.000 -1.130 0.000 0.800 303 A HN 0.511 nan 8.150 nan 0.000 0.453 304 G N -3.385 105.324 108.800 -0.151 0.000 2.160 304 G HA2 -0.235 3.726 3.960 0.001 0.000 0.244 304 G HA3 -0.235 3.726 3.960 0.001 0.000 0.244 304 G C -0.277 174.764 174.900 0.235 0.000 1.022 304 G CA 0.320 45.435 45.100 0.025 0.000 0.741 304 G HN 0.378 nan 8.290 nan 0.000 0.508 305 W N 0.188 121.501 121.300 0.022 0.000 2.578 305 W HA 0.727 5.388 4.660 0.001 0.000 0.353 305 W C 0.617 177.156 176.519 0.034 0.000 1.088 305 W CA -1.638 55.725 57.345 0.030 0.000 1.235 305 W CB 0.981 30.465 29.460 0.041 0.000 1.362 305 W HN 0.008 nan 8.180 nan 0.000 0.592 306 K N 1.496 122.042 120.400 0.244 0.000 2.095 306 K HA 0.361 4.682 4.320 0.001 0.000 0.252 306 K C 1.258 177.950 176.600 0.153 0.000 0.977 306 K CA -0.720 55.657 56.287 0.149 0.000 0.900 306 K CB 1.628 34.177 32.500 0.082 0.000 1.060 306 K HN 0.293 nan 8.250 nan 0.000 0.449 307 I N 0.926 121.580 120.570 0.139 0.000 2.226 307 I HA -0.203 3.967 4.170 0.001 0.000 0.245 307 I C 2.050 178.260 176.117 0.155 0.000 1.100 307 I CA 1.598 63.006 61.300 0.180 0.000 1.374 307 I CB -0.372 37.709 38.000 0.135 0.000 1.057 307 I HN 0.907 nan 8.210 nan 0.000 0.413 308 G N 0.007 108.863 108.800 0.093 0.000 2.625 308 G HA2 -0.183 3.778 3.960 0.001 0.000 0.214 308 G HA3 -0.183 3.778 3.960 0.001 0.000 0.214 308 G C 1.098 175.999 174.900 0.000 0.000 1.132 308 G CA 0.476 45.610 45.100 0.056 0.000 0.782 308 G HN 0.319 nan 8.290 nan 0.000 0.538 309 D N 0.105 120.484 120.400 -0.036 0.000 2.323 309 D HA 0.043 4.684 4.640 0.001 0.000 0.209 309 D C 1.281 177.451 176.300 -0.216 0.000 0.973 309 D CA 0.015 53.916 54.000 -0.164 0.000 0.874 309 D CB 0.210 40.831 40.800 -0.298 0.000 0.930 309 D HN 0.245 nan 8.370 nan 0.000 0.521 310 L N 1.559 122.720 121.223 -0.104 0.000 2.453 310 L HA 0.021 4.361 4.340 0.001 0.000 0.272 310 L C 1.270 178.086 176.870 -0.090 0.000 1.182 310 L CA 0.117 54.902 54.840 -0.092 0.000 0.858 310 L CB 0.823 42.900 42.059 0.031 0.000 1.120 310 L HN -0.172 nan 8.230 nan 0.000 0.474 311 D N 2.110 122.444 120.400 -0.110 0.000 2.380 311 D HA 0.179 4.820 4.640 0.001 0.000 0.212 311 D C -0.175 176.075 176.300 -0.083 0.000 1.021 311 D CA 0.608 54.555 54.000 -0.087 0.000 0.884 311 D CB 1.024 41.771 40.800 -0.088 0.000 1.001 311 D HN 0.127 nan 8.370 nan 0.000 0.506 312 L N 0.626 121.793 121.223 -0.092 0.000 2.472 312 L HA 0.377 4.718 4.340 0.001 0.000 0.260 312 L C -1.526 175.251 176.870 -0.156 0.000 0.963 312 L CA -0.808 53.968 54.840 -0.107 0.000 0.829 312 L CB 2.582 44.602 42.059 -0.064 0.000 1.348 312 L HN -0.346 nan 8.230 nan 0.000 0.408 313 V N 3.059 122.831 119.914 -0.237 0.000 2.686 313 V HA 0.580 4.701 4.120 0.001 0.000 0.306 313 V C -0.960 174.992 176.094 -0.237 0.000 1.065 313 V CA -0.697 61.386 62.300 -0.361 0.000 0.894 313 V CB 2.020 33.326 31.823 -0.861 0.000 1.004 313 V HN 0.629 nan 8.190 nan 0.000 0.424 314 E N 3.294 123.405 120.200 -0.148 0.000 2.141 314 E HA 0.627 4.977 4.350 0.001 0.000 0.259 314 E C -0.476 176.098 176.600 -0.043 0.000 0.883 314 E CA -0.297 56.062 56.400 -0.068 0.000 0.744 314 E CB 2.069 31.766 29.700 -0.006 0.000 1.150 314 E HN 0.786 nan 8.360 nan 0.000 0.420 315 A N 4.130 126.936 122.820 -0.025 0.000 2.267 315 A HA 0.303 4.624 4.320 0.001 0.000 0.315 315 A C 0.178 177.806 177.584 0.073 0.000 1.297 315 A CA -0.761 51.317 52.037 0.068 0.000 0.865 315 A CB 0.164 19.265 19.000 0.168 0.000 1.165 315 A HN 0.480 nan 8.150 nan 0.000 0.513 316 N N 1.844 120.572 118.700 0.047 0.000 2.356 316 N HA -0.010 4.731 4.740 0.001 0.000 0.252 316 N C -0.045 175.450 175.510 -0.024 0.000 1.241 316 N CA 0.741 53.785 53.050 -0.009 0.000 0.861 316 N CB 0.417 38.876 38.487 -0.046 0.000 1.075 316 N HN 0.630 nan 8.380 nan 0.000 0.461 317 E N 2.651 122.824 120.200 -0.045 0.000 2.201 317 E HA 0.184 4.534 4.350 0.001 0.000 0.272 317 E C 0.494 176.986 176.600 -0.179 0.000 1.228 317 E CA -0.450 55.956 56.400 0.009 0.000 1.305 317 E CB 0.211 29.992 29.700 0.136 0.000 1.381 317 E HN 0.671 nan 8.360 nan 0.000 0.475 318 A N 2.158 124.812 122.820 -0.277 0.000 1.883 318 A HA -0.098 4.222 4.320 0.001 0.000 0.217 318 A C 0.386 177.496 177.584 -0.791 0.000 1.186 318 A CA 1.265 52.968 52.037 -0.557 0.000 0.624 318 A CB 0.014 18.847 19.000 -0.277 0.000 0.822 318 A HN 0.399 nan 8.150 nan 0.000 0.444 319 F N -4.130 115.820 119.950 -0.000 0.000 2.588 319 F HA 0.562 5.090 4.527 0.001 0.000 0.314 319 F C 0.906 176.702 175.800 -0.007 0.000 1.134 319 F CA -0.494 57.524 58.000 0.030 0.000 0.961 319 F CB 1.446 40.452 39.000 0.010 0.000 1.239 319 F HN 0.073 nan 8.300 nan 0.000 0.448 320 A N 2.100 125.048 122.820 0.213 0.000 1.978 320 A HA -0.022 4.299 4.320 0.001 0.000 0.220 320 A C 2.256 179.754 177.584 -0.143 0.000 1.170 320 A CA 2.168 54.230 52.037 0.041 0.000 0.636 320 A CB -0.904 18.237 19.000 0.236 0.000 0.810 320 A HN 0.948 nan 8.150 nan 0.000 0.448 321 A N 0.429 123.251 122.820 0.004 0.000 1.859 321 A HA -0.291 4.029 4.320 0.001 0.000 0.217 321 A C 2.170 179.675 177.584 -0.132 0.000 1.198 321 A CA 2.503 54.510 52.037 -0.051 0.000 0.629 321 A CB -0.795 18.197 19.000 -0.013 0.000 0.830 321 A HN 0.748 nan 8.150 nan 0.000 0.446 322 Q N -0.343 119.423 119.800 -0.057 0.000 2.123 322 Q HA 0.224 4.564 4.340 0.001 0.000 0.199 322 Q C 1.878 177.764 176.000 -0.190 0.000 0.966 322 Q CA 2.042 57.785 55.803 -0.099 0.000 0.845 322 Q CB -0.906 27.853 28.738 0.035 0.000 0.907 322 Q HN 0.499 nan 8.270 nan 0.000 0.439 323 A N 0.577 123.274 122.820 -0.205 0.000 1.877 323 A HA -0.161 4.160 4.320 0.001 0.000 0.216 323 A C 2.357 179.672 177.584 -0.449 0.000 1.186 323 A CA 1.397 53.275 52.037 -0.264 0.000 0.620 323 A CB -1.221 17.625 19.000 -0.257 0.000 0.822 323 A HN 0.618 nan 8.150 nan 0.000 0.443 324 C N -1.089 117.810 119.300 -0.669 0.000 2.422 324 C HA 0.060 4.520 4.460 0.001 0.000 0.279 324 C C 3.265 177.985 174.990 -0.450 0.000 1.305 324 C CA 0.787 59.477 59.018 -0.548 0.000 1.757 324 C CB -1.339 26.128 27.740 -0.455 0.000 1.962 324 C HN 0.692 nan 8.230 nan 0.000 0.499 325 A N -0.029 122.448 122.820 -0.572 0.000 1.854 325 A HA -0.032 4.289 4.320 0.001 0.000 0.214 325 A C 2.286 179.284 177.584 -0.977 0.000 1.192 325 A CA 1.759 53.150 52.037 -1.076 0.000 0.611 325 A CB -0.863 17.381 19.000 -1.260 0.000 0.832 325 A HN 0.289 nan 8.150 nan 0.000 0.442 326 V N 1.412 120.995 119.914 -0.551 0.000 2.250 326 V HA -0.346 3.775 4.120 0.001 0.000 0.250 326 V C 2.368 178.261 176.094 -0.335 0.000 1.060 326 V CA 2.440 64.535 62.300 -0.343 0.000 1.030 326 V CB -1.064 30.688 31.823 -0.119 0.000 0.643 326 V HN 0.573 nan 8.190 nan 0.000 0.445 327 N N -0.159 118.430 118.700 -0.186 0.000 2.149 327 N HA -0.186 4.554 4.740 0.001 0.000 0.188 327 N C 1.826 177.227 175.510 -0.180 0.000 1.019 327 N CA 1.461 54.479 53.050 -0.053 0.000 0.857 327 N CB -0.378 38.186 38.487 0.127 0.000 0.997 327 N HN 0.502 nan 8.380 nan 0.000 0.426 328 K N 0.599 120.841 120.400 -0.264 0.000 2.097 328 K HA -0.106 4.214 4.320 0.001 0.000 0.206 328 K C 1.607 178.123 176.600 -0.140 0.000 1.049 328 K CA 1.238 57.411 56.287 -0.190 0.000 0.933 328 K CB 0.035 32.399 32.500 -0.226 0.000 0.717 328 K HN 0.174 nan 8.250 nan 0.000 0.442 329 D N 0.040 120.281 120.400 -0.265 0.000 2.162 329 D HA -0.090 4.551 4.640 0.001 0.000 0.205 329 D C 1.884 178.091 176.300 -0.155 0.000 0.964 329 D CA 0.761 54.728 54.000 -0.055 0.000 0.847 329 D CB 0.261 41.057 40.800 -0.008 0.000 0.988 329 D HN 0.190 nan 8.370 nan 0.000 0.480 330 L N -0.059 120.940 121.223 -0.374 0.000 2.131 330 L HA 0.090 4.431 4.340 0.001 0.000 0.206 330 L C 1.951 178.596 176.870 -0.375 0.000 1.087 330 L CA 0.927 55.448 54.840 -0.531 0.000 0.767 330 L CB -0.367 40.984 42.059 -1.181 0.000 0.917 330 L HN 0.251 nan 8.230 nan 0.000 0.441 331 G N -0.297 108.322 108.800 -0.302 0.000 2.148 331 G HA2 -0.263 3.697 3.960 0.001 0.000 0.254 331 G HA3 -0.263 3.697 3.960 0.001 0.000 0.254 331 G C -0.072 174.856 174.900 0.046 0.000 0.981 331 G CA 0.175 45.225 45.100 -0.084 0.000 0.670 331 G HN 0.388 nan 8.290 nan 0.000 0.528 332 W N 0.824 122.134 121.300 0.017 0.000 2.231 332 W HA 0.527 5.188 4.660 0.001 0.000 0.341 332 W C 0.123 176.653 176.519 0.018 0.000 1.298 332 W CA -2.098 55.259 57.345 0.019 0.000 1.266 332 W CB 0.176 29.650 29.460 0.024 0.000 1.172 332 W HN 0.154 nan 8.180 nan 0.000 0.568 333 D N 4.223 124.787 120.400 0.275 0.000 2.502 333 D HA -0.023 4.618 4.640 0.001 0.000 0.249 333 D C -1.191 175.191 176.300 0.137 0.000 1.188 333 D CA -1.442 52.651 54.000 0.156 0.000 0.890 333 D CB 1.053 41.905 40.800 0.087 0.000 1.140 333 D HN 0.103 nan 8.370 nan 0.000 0.505 334 P HA -0.172 nan 4.420 nan 0.000 0.217 334 P C 1.254 178.583 177.300 0.049 0.000 1.148 334 P CA 1.303 64.475 63.100 0.121 0.000 0.828 334 P CB -0.033 31.740 31.700 0.122 0.000 0.783 335 S N -0.414 115.304 115.700 0.031 0.000 2.474 335 S HA -0.109 4.361 4.470 0.001 0.000 0.235 335 S C 1.637 176.221 174.600 -0.026 0.000 0.997 335 S CA 0.916 59.116 58.200 0.001 0.000 0.949 335 S CB -1.392 61.810 63.200 0.003 0.000 0.766 335 S HN 0.385 nan 8.310 nan 0.000 0.517 336 I N -1.340 119.204 120.570 -0.043 0.000 3.976 336 I HA 0.453 4.624 4.170 0.001 0.000 0.337 336 I C -0.644 175.384 176.117 -0.149 0.000 1.359 336 I CA -0.570 60.678 61.300 -0.085 0.000 1.098 336 I CB 0.543 38.491 38.000 -0.087 0.000 1.027 336 I HN -0.032 nan 8.210 nan 0.000 0.394 337 V N 2.600 122.433 119.914 -0.136 0.000 2.427 337 V HA 0.348 4.469 4.120 0.001 0.000 0.286 337 V C 0.009 176.057 176.094 -0.076 0.000 1.034 337 V CA -0.656 61.542 62.300 -0.171 0.000 0.893 337 V CB 0.829 32.567 31.823 -0.141 0.000 0.982 337 V HN 0.493 nan 8.190 nan 0.000 0.452 338 N N 2.739 121.397 118.700 -0.070 0.000 2.686 338 N HA -0.150 4.591 4.740 0.001 0.000 0.261 338 N C 0.872 176.364 175.510 -0.031 0.000 1.001 338 N CA 0.722 53.755 53.050 -0.028 0.000 0.764 338 N CB -0.795 37.685 38.487 -0.011 0.000 0.898 338 N HN 0.508 nan 8.380 nan 0.000 0.544 339 V N -0.127 119.768 119.914 -0.032 0.000 2.490 339 V HA -0.191 3.930 4.120 0.001 0.000 0.250 339 V C 1.420 177.492 176.094 -0.038 0.000 1.061 339 V CA 1.657 63.933 62.300 -0.040 0.000 1.064 339 V CB -0.092 31.705 31.823 -0.042 0.000 0.670 339 V HN 0.514 nan 8.190 nan 0.000 0.461 340 N N 0.414 119.114 118.700 -0.000 0.000 2.320 340 N HA 0.338 5.079 4.740 0.001 0.000 0.237 340 N C 0.637 176.221 175.510 0.123 0.000 1.129 340 N CA 0.866 53.923 53.050 0.011 0.000 0.854 340 N CB 0.556 39.050 38.487 0.011 0.000 1.083 340 N HN 0.503 nan 8.380 nan 0.000 0.504 341 G N -0.928 107.893 108.800 0.036 0.000 2.814 341 G HA2 0.025 3.985 3.960 0.001 0.000 0.677 341 G HA3 0.025 3.985 3.960 0.001 0.000 0.677 341 G C -0.019 174.902 174.900 0.036 0.000 1.429 341 G CA -0.513 44.595 45.100 0.012 0.000 0.868 341 G HN 0.516 nan 8.290 nan 0.000 0.553 342 G N -1.930 106.866 108.800 -0.007 0.000 3.251 342 G HA2 0.834 4.794 3.960 0.001 0.000 0.248 342 G HA3 0.834 4.794 3.960 0.001 0.000 0.248 342 G C 1.150 176.058 174.900 0.013 0.000 1.320 342 G CA 0.968 46.072 45.100 0.008 0.000 0.982 342 G HN 1.984 nan 8.290 nan 0.000 0.575 343 A N -0.812 122.011 122.820 0.006 0.000 2.015 343 A HA 0.122 4.443 4.320 0.001 0.000 0.219 343 A C 2.277 179.893 177.584 0.054 0.000 1.163 343 A CA 1.060 53.095 52.037 -0.003 0.000 0.646 343 A CB -0.529 18.403 19.000 -0.113 0.000 0.806 343 A HN 0.486 nan 8.150 nan 0.000 0.448 344 I N -0.500 120.106 120.570 0.059 0.000 2.264 344 I HA -0.314 3.856 4.170 0.001 0.000 0.248 344 I C 2.753 178.966 176.117 0.161 0.000 1.111 344 I CA 1.268 62.635 61.300 0.112 0.000 1.382 344 I CB -0.100 37.957 38.000 0.095 0.000 1.060 344 I HN 0.394 nan 8.210 nan 0.000 0.418 345 A N 0.070 122.947 122.820 0.095 0.000 1.956 345 A HA 0.127 4.447 4.320 0.001 0.000 0.212 345 A C 2.143 179.836 177.584 0.182 0.000 1.188 345 A CA 0.490 52.564 52.037 0.061 0.000 0.675 345 A CB -0.319 18.681 19.000 0.001 0.000 0.845 345 A HN 0.303 nan 8.150 nan 0.000 0.455 346 I N -0.747 119.907 120.570 0.140 0.000 2.716 346 I HA 0.205 4.375 4.170 0.001 0.000 0.259 346 I C 1.332 177.522 176.117 0.121 0.000 1.172 346 I CA 0.891 62.233 61.300 0.070 0.000 1.478 346 I CB -0.248 37.720 38.000 -0.052 0.000 1.104 346 I HN 0.492 nan 8.210 nan 0.000 0.439 347 G N 0.697 109.585 108.800 0.148 0.000 2.712 347 G HA2 -0.249 3.711 3.960 0.001 0.000 0.683 347 G HA3 -0.249 3.711 3.960 0.001 0.000 0.683 347 G C -0.753 174.150 174.900 0.004 0.000 1.320 347 G CA -0.600 44.450 45.100 -0.083 0.000 0.847 347 G HN 0.410 nan 8.290 nan 0.000 0.553 348 H N 1.014 119.979 119.070 -0.174 0.000 2.651 348 H HA 0.535 5.092 4.556 0.001 0.000 0.252 348 H C -2.434 172.827 175.328 -0.111 0.000 1.365 348 H CA -1.706 54.267 56.048 -0.124 0.000 1.539 348 H CB 1.465 31.143 29.762 -0.141 0.000 1.621 348 H HN 0.438 nan 8.280 nan 0.000 0.526 349 P HA 0.106 nan 4.420 nan 0.000 0.274 349 P C 1.243 178.408 177.300 -0.225 0.000 1.470 349 P CA -0.079 62.933 63.100 -0.146 0.000 1.001 349 P CB 0.502 32.162 31.700 -0.066 0.000 1.332 350 I N 2.648 123.009 120.570 -0.348 0.000 2.065 350 I HA -0.327 3.843 4.170 0.001 0.000 0.236 350 I C 2.544 178.538 176.117 -0.204 0.000 1.028 350 I CA 2.412 63.456 61.300 -0.427 0.000 1.299 350 I CB -1.247 36.577 38.000 -0.294 0.000 1.015 350 I HN 0.342 nan 8.210 nan 0.000 0.396 351 G N -0.284 108.439 108.800 -0.127 0.000 2.448 351 G HA2 -0.140 3.821 3.960 0.001 0.000 0.219 351 G HA3 -0.140 3.821 3.960 0.001 0.000 0.219 351 G C 1.642 176.505 174.900 -0.061 0.000 1.127 351 G CA 0.827 45.882 45.100 -0.076 0.000 0.766 351 G HN 0.571 nan 8.290 nan 0.000 0.552 352 A N 0.164 122.944 122.820 -0.067 0.000 2.132 352 A HA 0.334 4.654 4.320 0.001 0.000 0.213 352 A C 2.526 180.101 177.584 -0.015 0.000 1.154 352 A CA 1.388 53.398 52.037 -0.046 0.000 0.753 352 A CB -0.157 18.812 19.000 -0.053 0.000 0.826 352 A HN 0.224 nan 8.150 nan 0.000 0.469 353 S N 0.157 115.858 115.700 0.001 0.000 2.374 353 S HA -0.152 4.318 4.470 0.001 0.000 0.227 353 S C 2.007 176.650 174.600 0.071 0.000 1.037 353 S CA 1.516 59.764 58.200 0.081 0.000 1.024 353 S CB -0.487 62.852 63.200 0.232 0.000 0.861 353 S HN 0.757 nan 8.310 nan 0.000 0.456 354 G N 0.508 109.342 108.800 0.056 0.000 2.421 354 G HA2 0.106 4.067 3.960 0.001 0.000 0.217 354 G HA3 0.106 4.067 3.960 0.001 0.000 0.217 354 G C 1.409 176.329 174.900 0.033 0.000 1.143 354 G CA 0.741 45.872 45.100 0.051 0.000 0.784 354 G HN 0.575 nan 8.290 nan 0.000 0.541 355 A N 0.245 123.074 122.820 0.016 0.000 2.021 355 A HA 0.199 4.519 4.320 0.001 0.000 0.216 355 A C 2.310 179.914 177.584 0.033 0.000 1.163 355 A CA 1.070 53.116 52.037 0.015 0.000 0.676 355 A CB -0.303 18.693 19.000 -0.007 0.000 0.818 355 A HN 0.197 nan 8.150 nan 0.000 0.453 356 R N 0.883 121.399 120.500 0.028 0.000 2.094 356 R HA -0.187 4.154 4.340 0.001 0.000 0.239 356 R C 2.011 178.340 176.300 0.048 0.000 1.137 356 R CA 2.285 58.403 56.100 0.029 0.000 0.943 356 R CB -0.702 29.608 30.300 0.016 0.000 0.850 356 R HN 0.749 nan 8.270 nan 0.000 0.433 357 I N -2.022 118.578 120.570 0.050 0.000 2.617 357 I HA -0.125 4.045 4.170 0.001 0.000 0.256 357 I C 2.379 178.537 176.117 0.068 0.000 1.167 357 I CA 0.835 62.169 61.300 0.056 0.000 1.469 357 I CB -0.352 37.676 38.000 0.047 0.000 1.098 357 I HN 0.061 nan 8.210 nan 0.000 0.436 358 L N 1.526 122.787 121.223 0.063 0.000 2.012 358 L HA -0.212 4.128 4.340 0.001 0.000 0.210 358 L C 2.487 179.413 176.870 0.093 0.000 1.073 358 L CA 1.888 56.766 54.840 0.062 0.000 0.748 358 L CB -0.700 41.385 42.059 0.045 0.000 0.891 358 L HN 0.449 nan 8.230 nan 0.000 0.431 359 N N -0.821 117.958 118.700 0.131 0.000 2.036 359 N HA -0.199 4.541 4.740 0.001 0.000 0.195 359 N C 1.584 177.289 175.510 0.325 0.000 1.037 359 N CA 2.269 55.474 53.050 0.258 0.000 0.855 359 N CB -0.178 38.442 38.487 0.222 0.000 1.033 359 N HN 0.372 nan 8.380 nan 0.000 0.423 360 T N 2.213 116.893 114.554 0.211 0.000 2.684 360 T HA -0.159 4.192 4.350 0.001 0.000 0.267 360 T C 2.023 176.833 174.700 0.184 0.000 1.036 360 T CA 0.916 63.145 62.100 0.215 0.000 1.148 360 T CB -0.413 68.552 68.868 0.162 0.000 0.863 360 T HN 0.144 nan 8.240 nan 0.000 0.436 361 L N 0.711 122.005 121.223 0.119 0.000 2.017 361 L HA 0.010 4.351 4.340 0.001 0.000 0.208 361 L C 2.254 179.159 176.870 0.057 0.000 1.073 361 L CA 1.611 56.491 54.840 0.068 0.000 0.745 361 L CB -0.617 41.466 42.059 0.040 0.000 0.894 361 L HN 0.242 nan 8.230 nan 0.000 0.432 362 L N -1.642 119.606 121.223 0.043 0.000 2.042 362 L HA -0.237 4.103 4.340 0.001 0.000 0.210 362 L C 2.382 179.176 176.870 -0.128 0.000 1.076 362 L CA 1.519 56.312 54.840 -0.079 0.000 0.749 362 L CB -0.453 41.496 42.059 -0.182 0.000 0.893 362 L HN 0.249 nan 8.230 nan 0.000 0.432 363 F N -0.203 119.767 119.950 0.033 0.000 2.187 363 F HA -0.146 4.381 4.527 0.001 0.000 0.295 363 F C 2.579 178.389 175.800 0.018 0.000 1.091 363 F CA 1.116 59.134 58.000 0.031 0.000 1.308 363 F CB -0.194 38.834 39.000 0.047 0.000 1.030 363 F HN 0.021 nan 8.300 nan 0.000 0.487 364 E N 0.232 120.546 120.200 0.190 0.000 2.204 364 E HA -0.178 4.173 4.350 0.001 0.000 0.194 364 E C 2.037 178.661 176.600 0.041 0.000 0.989 364 E CA 1.244 57.697 56.400 0.089 0.000 0.824 364 E CB -0.298 29.438 29.700 0.059 0.000 0.756 364 E HN 0.355 nan 8.360 nan 0.000 0.477 365 M N -0.396 119.219 119.600 0.026 0.000 2.254 365 M HA -0.069 4.411 4.480 0.001 0.000 0.265 365 M C 2.219 178.512 176.300 -0.011 0.000 1.066 365 M CA 1.187 56.484 55.300 -0.005 0.000 1.123 365 M CB -0.044 32.546 32.600 -0.016 0.000 1.388 365 M HN -0.008 nan 8.290 nan 0.000 0.425 366 K N 0.607 120.999 120.400 -0.014 0.000 2.026 366 K HA -0.207 4.114 4.320 0.001 0.000 0.208 366 K C 2.109 178.718 176.600 0.016 0.000 1.048 366 K CA 1.510 57.790 56.287 -0.012 0.000 0.929 366 K CB -0.078 32.409 32.500 -0.021 0.000 0.713 366 K HN 0.150 nan 8.250 nan 0.000 0.439 367 R N 0.835 121.358 120.500 0.039 0.000 2.075 367 R HA -0.129 4.211 4.340 0.001 0.000 0.232 367 R C 2.265 178.570 176.300 0.009 0.000 1.126 367 R CA 1.866 57.986 56.100 0.033 0.000 0.963 367 R CB -0.141 30.186 30.300 0.044 0.000 0.858 367 R HN 0.290 nan 8.270 nan 0.000 0.435 368 R N -1.377 119.123 120.500 0.001 0.000 2.246 368 R HA 0.195 4.535 4.340 0.001 0.000 0.199 368 R C 0.846 177.138 176.300 -0.014 0.000 0.984 368 R CA 0.793 56.887 56.100 -0.011 0.000 1.015 368 R CB 0.245 30.534 30.300 -0.018 0.000 0.930 368 R HN 0.315 nan 8.270 nan 0.000 0.475 369 G N 0.533 109.325 108.800 -0.012 0.000 2.141 369 G HA2 -0.204 3.756 3.960 0.001 0.000 0.195 369 G HA3 -0.204 3.756 3.960 0.001 0.000 0.195 369 G C 0.104 174.989 174.900 -0.024 0.000 1.012 369 G CA -0.169 44.922 45.100 -0.016 0.000 0.696 369 G HN 0.651 nan 8.290 nan 0.000 0.508 370 A N -0.575 122.229 122.820 -0.027 0.000 2.425 370 A HA 0.756 5.077 4.320 0.001 0.000 0.249 370 A C 1.266 178.826 177.584 -0.039 0.000 1.084 370 A CA 0.818 52.832 52.037 -0.038 0.000 0.781 370 A CB 0.367 19.344 19.000 -0.039 0.000 1.019 370 A HN 0.548 nan 8.150 nan 0.000 0.490 371 R N 0.868 121.333 120.500 -0.059 0.000 2.146 371 R HA 0.146 4.486 4.340 0.001 0.000 0.206 371 R C -0.086 176.173 176.300 -0.068 0.000 1.049 371 R CA 0.805 56.871 56.100 -0.056 0.000 1.029 371 R CB 0.047 30.305 30.300 -0.070 0.000 0.949 371 R HN 0.625 nan 8.270 nan 0.000 0.471 372 K N 0.558 120.870 120.400 -0.147 0.000 2.292 372 K HA 0.578 4.898 4.320 0.001 0.000 0.257 372 K C -0.641 175.915 176.600 -0.073 0.000 0.940 372 K CA -0.577 55.586 56.287 -0.207 0.000 0.811 372 K CB 2.232 34.323 32.500 -0.682 0.000 1.120 372 K HN 0.167 nan 8.250 nan 0.000 0.428 373 G N 2.031 110.882 108.800 0.084 0.000 2.620 373 G HA2 0.655 4.615 3.960 0.001 0.000 0.301 373 G HA3 0.655 4.615 3.960 0.001 0.000 0.301 373 G C -1.930 173.069 174.900 0.164 0.000 1.347 373 G CA -0.629 44.518 45.100 0.077 0.000 0.971 373 G HN 0.495 nan 8.290 nan 0.000 0.488 374 L N 1.097 122.367 121.223 0.078 0.000 2.408 374 L HA 0.891 5.231 4.340 0.001 0.000 0.268 374 L C -0.239 176.651 176.870 0.034 0.000 0.986 374 L CA -0.792 54.112 54.840 0.107 0.000 0.820 374 L CB 2.074 44.218 42.059 0.141 0.000 1.303 374 L HN 0.803 nan 8.230 nan 0.000 0.411 375 A N 2.624 125.490 122.820 0.077 0.000 2.365 375 A HA 0.846 5.166 4.320 0.001 0.000 0.318 375 A C -0.683 176.965 177.584 0.106 0.000 1.091 375 A CA -0.403 51.673 52.037 0.066 0.000 0.763 375 A CB 1.901 20.941 19.000 0.066 0.000 1.248 375 A HN 0.654 nan 8.150 nan 0.000 0.442 376 T N 1.023 115.639 114.554 0.104 0.000 2.957 376 T HA 0.589 4.940 4.350 0.001 0.000 0.336 376 T C -2.013 172.757 174.700 0.116 0.000 1.462 376 T CA -0.304 61.879 62.100 0.139 0.000 1.073 376 T CB 0.489 69.485 68.868 0.214 0.000 1.319 376 T HN 0.673 nan 8.240 nan 0.000 0.485 377 L N 3.393 124.684 121.223 0.114 0.000 2.445 377 L HA 0.664 5.005 4.340 0.001 0.000 0.262 377 L C 0.418 177.348 176.870 0.100 0.000 0.974 377 L CA -0.900 53.997 54.840 0.095 0.000 0.822 377 L CB 1.703 43.821 42.059 0.098 0.000 1.339 377 L HN 0.972 nan 8.230 nan 0.000 0.409 378 C N 1.424 120.776 119.300 0.087 0.000 2.534 378 C HA 0.823 5.283 4.460 0.001 0.000 0.385 378 C C 0.086 175.144 174.990 0.114 0.000 1.264 378 C CA -0.754 58.321 59.018 0.095 0.000 2.342 378 C CB -0.229 27.567 27.740 0.092 0.000 2.564 378 C HN 0.673 nan 8.230 nan 0.000 0.603 379 I N 2.006 122.646 120.570 0.117 0.000 2.619 379 I HA 0.490 4.660 4.170 0.001 0.000 0.292 379 I C 0.855 177.047 176.117 0.125 0.000 1.100 379 I CA -0.339 61.033 61.300 0.121 0.000 1.043 379 I CB 1.794 39.860 38.000 0.110 0.000 1.239 379 I HN 1.028 nan 8.210 nan 0.000 0.420 380 G N 2.469 111.343 108.800 0.124 0.000 2.441 380 G HA2 0.427 4.388 3.960 0.001 0.000 0.243 380 G HA3 0.427 4.388 3.960 0.001 0.000 0.243 380 G C 0.880 175.868 174.900 0.145 0.000 1.281 380 G CA 0.580 45.755 45.100 0.124 0.000 0.854 380 G HN 1.195 nan 8.290 nan 0.000 0.560 381 G N -0.001 108.917 108.800 0.195 0.000 2.176 381 G HA2 0.256 4.217 3.960 0.001 0.000 0.253 381 G HA3 0.256 4.217 3.960 0.001 0.000 0.253 381 G C 1.094 176.110 174.900 0.193 0.000 0.979 381 G CA 0.807 46.092 45.100 0.307 0.000 0.641 381 G HN 2.699 nan 8.290 nan 0.000 0.530 382 G N -0.973 107.908 108.800 0.136 0.000 2.600 382 G HA2 0.118 4.079 3.960 0.001 0.000 0.251 382 G HA3 0.118 4.079 3.960 0.001 0.000 0.251 382 G C -0.132 174.813 174.900 0.074 0.000 1.142 382 G CA 0.748 45.900 45.100 0.087 0.000 0.994 382 G HN 1.175 nan 8.290 nan 0.000 0.511 383 M N -0.712 118.941 119.600 0.088 0.000 2.667 383 M HA 0.741 5.222 4.480 0.001 0.000 0.286 383 M C 0.404 176.756 176.300 0.088 0.000 1.270 383 M CA -0.392 54.958 55.300 0.083 0.000 0.826 383 M CB 2.513 35.168 32.600 0.093 0.000 1.743 383 M HN 0.590 nan 8.290 nan 0.000 0.460 384 G N 0.155 109.007 108.800 0.087 0.000 2.563 384 G HA2 0.730 4.691 3.960 0.001 0.000 0.302 384 G HA3 0.730 4.691 3.960 0.001 0.000 0.302 384 G C -2.196 172.774 174.900 0.116 0.000 1.301 384 G CA -0.623 44.534 45.100 0.095 0.000 0.965 384 G HN 0.571 nan 8.290 nan 0.000 0.480 385 V N -0.190 119.803 119.914 0.131 0.000 3.007 385 V HA 0.954 5.074 4.120 0.001 0.000 0.311 385 V C -0.659 175.535 176.094 0.167 0.000 1.120 385 V CA -0.007 62.395 62.300 0.170 0.000 0.980 385 V CB 1.910 33.843 31.823 0.184 0.000 1.033 385 V HN 1.809 nan 8.190 nan 0.000 0.429 386 A N 5.825 128.764 122.820 0.199 0.000 2.606 386 A HA 0.923 5.244 4.320 0.001 0.000 0.293 386 A C -1.279 176.433 177.584 0.213 0.000 1.082 386 A CA -0.546 51.600 52.037 0.182 0.000 0.685 386 A CB 2.062 21.158 19.000 0.160 0.000 1.284 386 A HN 1.293 nan 8.150 nan 0.000 0.408 387 M N 0.995 120.700 119.600 0.176 0.000 2.324 387 M HA 0.549 5.030 4.480 0.001 0.000 0.288 387 M C -1.860 174.516 176.300 0.126 0.000 1.097 387 M CA -0.192 55.210 55.300 0.170 0.000 0.928 387 M CB 1.691 34.380 32.600 0.148 0.000 1.648 387 M HN 0.743 nan 8.290 nan 0.000 0.460 388 C N 5.142 124.485 119.300 0.071 0.000 2.319 388 C HA 0.746 5.207 4.460 0.001 0.000 0.335 388 C C -0.499 174.524 174.990 0.054 0.000 1.274 388 C CA -0.788 58.259 59.018 0.048 0.000 1.806 388 C CB 0.505 28.100 27.740 -0.241 0.000 2.329 388 C HN 0.617 nan 8.230 nan 0.000 0.524 389 I N 2.638 123.325 120.570 0.196 0.000 2.545 389 I HA 0.483 4.654 4.170 0.001 0.000 0.292 389 I C -0.151 176.159 176.117 0.320 0.000 1.040 389 I CA -0.413 60.993 61.300 0.178 0.000 1.068 389 I CB 1.608 39.675 38.000 0.111 0.000 1.251 389 I HN 0.736 nan 8.210 nan 0.000 0.424 390 E N 3.330 123.686 120.200 0.261 0.000 2.187 390 E HA 0.438 4.788 4.350 0.001 0.000 0.268 390 E C -0.428 176.242 176.600 0.117 0.000 0.896 390 E CA -0.506 56.048 56.400 0.257 0.000 0.766 390 E CB 1.594 31.495 29.700 0.336 0.000 1.142 390 E HN 0.660 nan 8.360 nan 0.000 0.408 391 S N 4.459 120.200 115.700 0.068 0.000 2.549 391 S HA 0.208 4.678 4.470 0.001 0.000 0.283 391 S C 0.421 175.038 174.600 0.030 0.000 1.320 391 S CA -0.604 57.613 58.200 0.027 0.000 1.058 391 S CB 0.411 63.613 63.200 0.003 0.000 0.882 391 S HN 0.479 nan 8.310 nan 0.000 0.498 392 L N 0.000 121.233 121.223 0.016 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.849 54.840 0.014 0.000 0.813 392 L CB 0.000 42.065 42.059 0.010 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502