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 2np9_1_A DATA FIRST_RESID 11 DATA SEQUENCE TDGLWAALTE AAASVEKLLA TLPEHGARSS AERAEIAAAH DAARALRVRF DATA SEQUENCE LDTHADAVYD RLTDHRRVHL RLAELVEAAA TAFPGLVPTQ QQLAVERSLP DATA SEQUENCE QAAKEGHEID QGIFLRAVLR SPLAGPHLLD AMLRPTPRAL ELLPEFVRTG DATA SEQUENCE EVEMEAVHLE RRDGVARLTM CRDDRLNAED GQQVDDMETA VDLALLDPGV DATA SEQUENCE RVGLLRGGVM SHPRYRGKRV FSAGINLKYL SQGGISLVDF LMRRELGYIH DATA SEQUENCE KLVRGVLTND DRPGWWHSPR IEKPWVAAVD GFAIGGGAQL LLVFDRVLAS DATA SEQUENCE SDAYFSLPAA KEGIIPGAAN LRLGRFAGPR VSRQVILEGR RIWAKEPEAR DATA SEQUENCE LLVDEVVEPD ELDAAIERSL TRLDGDAVLA NRRMLNLADE SPDGFRAYMA DATA SEQUENCE EFALMQALRL YGHDVIDKVG RFG 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.774 174.700 0.123 0.000 1.109 11 T CA 0.000 62.161 62.100 0.101 0.000 1.349 11 T CB 0.000 68.930 68.868 0.104 0.000 0.612 12 D N -0.072 120.425 120.400 0.162 0.000 2.514 12 D HA 0.374 5.014 4.640 -0.000 0.000 0.249 12 D C 1.750 178.148 176.300 0.163 0.000 1.036 12 D CA 1.950 56.065 54.000 0.191 0.000 0.911 12 D CB 0.246 41.245 40.800 0.330 0.000 1.145 12 D HN 0.644 nan 8.370 nan 0.000 0.495 13 G N 0.313 109.208 108.800 0.159 0.000 2.225 13 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 13 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 13 G C 1.045 176.018 174.900 0.122 0.000 0.988 13 G CA 0.669 45.841 45.100 0.120 0.000 0.625 13 G HN 0.316 nan 8.290 nan 0.000 0.527 14 L N 0.226 121.567 121.223 0.196 0.000 2.012 14 L HA 0.075 4.415 4.340 -0.000 0.000 0.210 14 L C 2.521 179.458 176.870 0.111 0.000 1.073 14 L CA 2.531 57.492 54.840 0.203 0.000 0.748 14 L CB -1.013 41.270 42.059 0.374 0.000 0.891 14 L HN 0.633 nan 8.230 nan 0.000 0.431 15 W N 0.283 121.531 121.300 -0.086 0.000 2.321 15 W HA -0.314 4.346 4.660 -0.000 0.000 0.306 15 W C 2.237 178.642 176.519 -0.190 0.000 1.217 15 W CA 1.923 59.065 57.345 -0.338 0.000 1.257 15 W CB -0.063 29.210 29.460 -0.311 0.000 1.145 15 W HN 0.257 nan 8.180 nan 0.000 0.509 16 A N 1.075 123.802 122.820 -0.154 0.000 1.877 16 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 16 A C 2.169 179.608 177.584 -0.242 0.000 1.186 16 A CA 2.851 54.757 52.037 -0.219 0.000 0.620 16 A CB -1.455 17.517 19.000 -0.047 0.000 0.822 16 A HN 0.368 nan 8.150 nan 0.000 0.443 17 A N -0.470 122.265 122.820 -0.142 0.000 1.883 17 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 17 A C 2.161 179.634 177.584 -0.186 0.000 1.186 17 A CA 1.900 53.867 52.037 -0.116 0.000 0.624 17 A CB -0.711 18.264 19.000 -0.041 0.000 0.822 17 A HN 0.788 nan 8.150 nan 0.000 0.444 18 L N -0.038 121.028 121.223 -0.261 0.000 1.989 18 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 18 L C 2.422 179.021 176.870 -0.451 0.000 1.071 18 L CA 2.977 57.619 54.840 -0.330 0.000 0.749 18 L CB -1.362 40.447 42.059 -0.417 0.000 0.890 18 L HN 0.389 nan 8.230 nan 0.000 0.431 19 T N -0.563 113.564 114.554 -0.712 0.000 2.737 19 T HA -0.271 4.079 4.350 -0.000 0.000 0.269 19 T C 1.708 176.204 174.700 -0.340 0.000 1.040 19 T CA 1.802 63.516 62.100 -0.643 0.000 1.142 19 T CB -0.252 68.184 68.868 -0.720 0.000 0.861 19 T HN 0.553 nan 8.240 nan 0.000 0.456 20 E N 0.849 120.889 120.200 -0.266 0.000 2.006 20 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 20 E C 2.540 179.059 176.600 -0.136 0.000 0.993 20 E CA 0.903 57.203 56.400 -0.166 0.000 0.808 20 E CB -0.306 29.317 29.700 -0.128 0.000 0.764 20 E HN 0.418 nan 8.360 nan 0.000 0.449 21 A N 1.241 123.984 122.820 -0.129 0.000 1.958 21 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 21 A C 2.386 179.919 177.584 -0.087 0.000 1.178 21 A CA 2.276 54.258 52.037 -0.092 0.000 0.642 21 A CB -0.975 17.980 19.000 -0.074 0.000 0.816 21 A HN 0.455 nan 8.150 nan 0.000 0.453 22 A N -0.459 122.291 122.820 -0.117 0.000 1.902 22 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 22 A C 2.505 180.044 177.584 -0.075 0.000 1.181 22 A CA 2.111 54.094 52.037 -0.090 0.000 0.623 22 A CB -0.954 17.962 19.000 -0.141 0.000 0.818 22 A HN 1.098 nan 8.150 nan 0.000 0.443 23 A N -0.888 121.873 122.820 -0.098 0.000 1.897 23 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 23 A C 2.431 179.977 177.584 -0.063 0.000 1.181 23 A CA 1.911 53.902 52.037 -0.077 0.000 0.620 23 A CB -0.934 18.014 19.000 -0.087 0.000 0.821 23 A HN 0.620 nan 8.150 nan 0.000 0.443 24 S N -0.763 114.895 115.700 -0.071 0.000 2.465 24 S HA -0.095 4.375 4.470 -0.000 0.000 0.241 24 S C 1.662 176.221 174.600 -0.070 0.000 1.000 24 S CA 1.599 59.760 58.200 -0.065 0.000 0.964 24 S CB -0.342 62.818 63.200 -0.067 0.000 0.763 24 S HN 0.271 nan 8.310 nan 0.000 0.512 25 V N 0.897 120.771 119.914 -0.067 0.000 2.575 25 V HA 0.134 4.254 4.120 -0.000 0.000 0.242 25 V C 2.973 179.040 176.094 -0.046 0.000 1.045 25 V CA 1.617 63.866 62.300 -0.084 0.000 1.065 25 V CB -1.084 30.701 31.823 -0.064 0.000 0.717 25 V HN 0.668 nan 8.190 nan 0.000 0.467 26 E N 1.120 121.309 120.200 -0.017 0.000 2.058 26 E HA -0.339 4.011 4.350 -0.000 0.000 0.194 26 E C 2.308 178.899 176.600 -0.015 0.000 0.997 26 E CA 2.639 59.039 56.400 0.000 0.000 0.801 26 E CB -1.030 28.665 29.700 -0.009 0.000 0.746 26 E HN 0.676 nan 8.360 nan 0.000 0.450 27 K N 0.120 120.502 120.400 -0.029 0.000 2.020 27 K HA 0.026 4.346 4.320 -0.000 0.000 0.212 27 K C 2.401 178.982 176.600 -0.032 0.000 1.050 27 K CA 1.777 58.046 56.287 -0.030 0.000 0.929 27 K CB -1.163 31.316 32.500 -0.036 0.000 0.714 27 K HN 0.412 nan 8.250 nan 0.000 0.443 28 L N 0.397 121.593 121.223 -0.045 0.000 2.046 28 L HA 0.076 4.416 4.340 -0.000 0.000 0.208 28 L C 2.396 179.240 176.870 -0.043 0.000 1.077 28 L CA 1.452 56.261 54.840 -0.052 0.000 0.747 28 L CB -0.254 41.758 42.059 -0.079 0.000 0.896 28 L HN 0.420 nan 8.230 nan 0.000 0.432 29 L N -0.931 120.270 121.223 -0.038 0.000 2.456 29 L HA -0.098 4.241 4.340 -0.000 0.000 0.224 29 L C 2.317 179.184 176.870 -0.005 0.000 1.148 29 L CA 0.641 55.471 54.840 -0.016 0.000 0.825 29 L CB -0.650 41.418 42.059 0.015 0.000 0.937 29 L HN 0.372 nan 8.230 nan 0.000 0.450 30 A N -0.170 122.645 122.820 -0.009 0.000 1.911 30 A HA -0.103 4.217 4.320 -0.000 0.000 0.212 30 A C 2.423 180.001 177.584 -0.010 0.000 1.189 30 A CA 1.398 53.431 52.037 -0.006 0.000 0.639 30 A CB -0.537 18.458 19.000 -0.008 0.000 0.839 30 A HN 0.413 nan 8.150 nan 0.000 0.449 31 T N -1.505 113.040 114.554 -0.016 0.000 2.809 31 T HA 0.188 4.538 4.350 -0.000 0.000 0.260 31 T C 0.970 175.661 174.700 -0.016 0.000 1.039 31 T CA 0.229 62.319 62.100 -0.016 0.000 1.141 31 T CB -0.732 68.125 68.868 -0.020 0.000 0.869 31 T HN 0.191 nan 8.240 nan 0.000 0.437 32 L N 3.358 124.570 121.223 -0.020 0.000 2.499 32 L HA 0.241 4.581 4.340 -0.000 0.000 0.281 32 L C -1.219 175.644 176.870 -0.012 0.000 1.234 32 L CA -1.718 53.111 54.840 -0.019 0.000 0.839 32 L CB -0.036 42.008 42.059 -0.026 0.000 1.104 32 L HN 0.277 nan 8.230 nan 0.000 0.500 33 P HA 0.089 nan 4.420 nan 0.000 0.312 33 P C -0.715 176.582 177.300 -0.005 0.000 1.307 33 P CA -0.501 62.594 63.100 -0.007 0.000 0.738 33 P CB 0.475 32.171 31.700 -0.007 0.000 1.422 34 E N -1.282 118.917 120.200 -0.002 0.000 2.354 34 E HA 0.262 4.611 4.350 -0.000 0.000 0.269 34 E C 0.591 177.191 176.600 -0.000 0.000 1.036 34 E CA -0.126 56.274 56.400 -0.000 0.000 0.876 34 E CB -0.038 29.663 29.700 0.001 0.000 1.009 34 E HN 0.589 nan 8.360 nan 0.000 0.416 35 H N 0.705 119.776 119.070 0.001 0.000 2.972 35 H HA 0.261 4.817 4.556 -0.000 0.000 0.343 35 H C 1.398 176.728 175.328 0.004 0.000 1.054 35 H CA 0.281 56.331 56.048 0.003 0.000 1.412 35 H CB 0.378 30.143 29.762 0.006 0.000 1.385 35 H HN 0.804 nan 8.280 nan 0.000 0.600 36 G N 0.138 108.940 108.800 0.003 0.000 2.420 36 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.221 36 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.221 36 G C 1.537 176.435 174.900 -0.003 0.000 1.117 36 G CA 1.257 46.357 45.100 0.000 0.000 0.657 36 G HN 2.013 nan 8.290 nan 0.000 0.512 37 A N 1.123 123.941 122.820 -0.002 0.000 2.412 37 A HA 0.642 4.962 4.320 -0.000 0.000 0.253 37 A C 1.070 178.651 177.584 -0.006 0.000 1.334 37 A CA 0.491 52.526 52.037 -0.004 0.000 0.929 37 A CB -0.147 18.851 19.000 -0.003 0.000 0.983 37 A HN 0.531 nan 8.150 nan 0.000 0.508 38 R N 0.206 120.702 120.500 -0.007 0.000 2.643 38 R HA 0.522 4.862 4.340 -0.000 0.000 0.272 38 R C 0.111 176.405 176.300 -0.010 0.000 0.995 38 R CA -0.094 56.001 56.100 -0.008 0.000 1.032 38 R CB 1.355 31.651 30.300 -0.008 0.000 1.126 38 R HN 0.404 nan 8.270 nan 0.000 0.505 39 S N -0.204 115.489 115.700 -0.011 0.000 2.646 39 S HA 0.142 4.612 4.470 -0.000 0.000 0.276 39 S C 0.860 175.453 174.600 -0.012 0.000 1.222 39 S CA -0.821 57.372 58.200 -0.011 0.000 1.014 39 S CB 1.813 65.006 63.200 -0.011 0.000 0.991 39 S HN 0.531 nan 8.310 nan 0.000 0.533 40 S N 1.444 117.136 115.700 -0.013 0.000 2.380 40 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 40 S C 2.156 176.750 174.600 -0.010 0.000 1.043 40 S CA 1.553 59.745 58.200 -0.012 0.000 1.038 40 S CB -1.044 62.149 63.200 -0.012 0.000 0.872 40 S HN 0.949 nan 8.310 nan 0.000 0.456 41 A N 1.129 123.942 122.820 -0.011 0.000 1.969 41 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 41 A C 2.039 179.614 177.584 -0.015 0.000 1.169 41 A CA 1.213 53.243 52.037 -0.012 0.000 0.635 41 A CB -0.346 18.647 19.000 -0.012 0.000 0.810 41 A HN 0.565 nan 8.150 nan 0.000 0.445 42 E N -0.397 119.794 120.200 -0.015 0.000 2.033 42 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 42 E C 2.176 178.764 176.600 -0.019 0.000 0.979 42 E CA 0.628 57.016 56.400 -0.020 0.000 0.802 42 E CB -0.194 29.495 29.700 -0.018 0.000 0.763 42 E HN 0.489 nan 8.360 nan 0.000 0.449 43 R N 0.492 120.985 120.500 -0.011 0.000 2.200 43 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 43 R C 1.970 178.271 176.300 0.002 0.000 1.127 43 R CA 1.013 57.112 56.100 -0.002 0.000 0.989 43 R CB -0.130 30.171 30.300 0.002 0.000 0.869 43 R HN 0.093 nan 8.270 nan 0.000 0.459 44 A N 0.576 123.393 122.820 -0.005 0.000 2.115 44 A HA 0.042 4.362 4.320 -0.000 0.000 0.211 44 A C 2.112 179.686 177.584 -0.016 0.000 1.169 44 A CA 0.887 52.923 52.037 -0.002 0.000 0.787 44 A CB -0.113 18.886 19.000 -0.002 0.000 0.858 44 A HN 0.400 nan 8.150 nan 0.000 0.474 45 E N -0.068 120.115 120.200 -0.028 0.000 2.158 45 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 45 E C 1.775 178.331 176.600 -0.073 0.000 0.982 45 E CA 1.417 57.791 56.400 -0.043 0.000 0.823 45 E CB -0.558 29.117 29.700 -0.040 0.000 0.766 45 E HN 0.603 nan 8.360 nan 0.000 0.468 46 I N 0.237 120.755 120.570 -0.086 0.000 2.480 46 I HA 0.255 4.425 4.170 -0.000 0.000 0.251 46 I C 2.609 178.615 176.117 -0.185 0.000 1.124 46 I CA 1.197 62.392 61.300 -0.174 0.000 1.444 46 I CB -0.168 37.745 38.000 -0.146 0.000 1.098 46 I HN 0.248 nan 8.210 nan 0.000 0.428 47 A N 0.909 123.703 122.820 -0.042 0.000 1.865 47 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 47 A C 2.469 180.064 177.584 0.019 0.000 1.191 47 A CA 1.998 54.058 52.037 0.038 0.000 0.623 47 A CB -1.474 17.554 19.000 0.047 0.000 0.826 47 A HN 0.520 nan 8.150 nan 0.000 0.444 48 A N -0.723 122.090 122.820 -0.011 0.000 2.172 48 A HA 0.271 4.591 4.320 -0.000 0.000 0.216 48 A C 2.281 179.848 177.584 -0.028 0.000 1.154 48 A CA 1.749 53.780 52.037 -0.010 0.000 0.701 48 A CB -0.698 18.293 19.000 -0.014 0.000 0.789 48 A HN 0.945 nan 8.150 nan 0.000 0.465 49 A N -0.843 121.928 122.820 -0.082 0.000 1.855 49 A HA -0.056 4.263 4.320 -0.000 0.000 0.213 49 A C 2.052 179.596 177.584 -0.067 0.000 1.195 49 A CA 1.303 53.268 52.037 -0.120 0.000 0.610 49 A CB -0.824 18.038 19.000 -0.229 0.000 0.837 49 A HN 0.564 nan 8.150 nan 0.000 0.444 50 H N -0.242 118.817 119.070 -0.019 0.000 2.290 50 H HA -0.170 4.386 4.556 -0.000 0.000 0.298 50 H C 1.937 177.259 175.328 -0.011 0.000 1.087 50 H CA 1.987 58.025 56.048 -0.017 0.000 1.291 50 H CB -0.726 29.015 29.762 -0.035 0.000 1.369 50 H HN 0.655 nan 8.280 nan 0.000 0.492 51 D N 0.152 120.630 120.400 0.129 0.000 2.116 51 D HA -0.152 4.488 4.640 -0.000 0.000 0.193 51 D C 2.271 178.599 176.300 0.046 0.000 0.998 51 D CA 1.714 55.754 54.000 0.066 0.000 0.836 51 D CB -0.095 40.732 40.800 0.045 0.000 0.951 51 D HN 0.349 nan 8.370 nan 0.000 0.449 52 A N 0.143 122.981 122.820 0.031 0.000 1.933 52 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 52 A C 2.283 179.879 177.584 0.020 0.000 1.175 52 A CA 2.116 54.163 52.037 0.016 0.000 0.628 52 A CB -0.900 18.098 19.000 -0.003 0.000 0.814 52 A HN 0.352 nan 8.150 nan 0.000 0.444 53 A N -0.402 122.436 122.820 0.029 0.000 1.874 53 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 53 A C 2.212 179.825 177.584 0.049 0.000 1.189 53 A CA 1.233 53.286 52.037 0.026 0.000 0.615 53 A CB -0.384 18.637 19.000 0.036 0.000 0.830 53 A HN 0.502 nan 8.150 nan 0.000 0.443 54 R N -0.286 120.254 120.500 0.067 0.000 2.096 54 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 54 R C 2.324 178.663 176.300 0.065 0.000 1.127 54 R CA 1.123 57.262 56.100 0.066 0.000 0.968 54 R CB -0.416 29.915 30.300 0.051 0.000 0.861 54 R HN 0.496 nan 8.270 nan 0.000 0.440 55 A N 0.760 123.612 122.820 0.054 0.000 2.019 55 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 55 A C 2.039 179.665 177.584 0.070 0.000 1.164 55 A CA 1.043 53.111 52.037 0.052 0.000 0.644 55 A CB -0.295 18.728 19.000 0.038 0.000 0.805 55 A HN 0.198 nan 8.150 nan 0.000 0.449 56 L N -1.418 119.849 121.223 0.073 0.000 2.162 56 L HA -0.049 4.291 4.340 -0.000 0.000 0.205 56 L C 2.726 179.700 176.870 0.174 0.000 1.086 56 L CA 0.631 55.530 54.840 0.098 0.000 0.778 56 L CB -0.315 41.770 42.059 0.044 0.000 0.928 56 L HN 0.330 nan 8.230 nan 0.000 0.446 57 R N -0.667 119.930 120.500 0.161 0.000 2.120 57 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 57 R C 2.137 178.591 176.300 0.258 0.000 1.123 57 R CA 1.097 57.348 56.100 0.252 0.000 0.975 57 R CB -0.408 30.004 30.300 0.187 0.000 0.866 57 R HN 0.207 nan 8.270 nan 0.000 0.446 58 V N 0.875 120.886 119.914 0.161 0.000 2.255 58 V HA -0.216 3.904 4.120 -0.000 0.000 0.243 58 V C 2.308 178.468 176.094 0.109 0.000 1.038 58 V CA 1.632 63.997 62.300 0.108 0.000 1.008 58 V CB -0.459 31.402 31.823 0.065 0.000 0.645 58 V HN 0.285 nan 8.190 nan 0.000 0.449 59 R N -0.719 119.858 120.500 0.128 0.000 2.091 59 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 59 R C 2.248 178.662 176.300 0.190 0.000 1.136 59 R CA 2.110 58.285 56.100 0.126 0.000 0.959 59 R CB -0.663 29.714 30.300 0.127 0.000 0.856 59 R HN 0.525 nan 8.270 nan 0.000 0.437 60 F N 1.726 121.760 119.950 0.140 0.000 2.046 60 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 60 F C 1.909 177.843 175.800 0.222 0.000 1.123 60 F CA 1.524 59.668 58.000 0.240 0.000 1.199 60 F CB -0.547 38.611 39.000 0.262 0.000 0.972 60 F HN -0.116 nan 8.300 nan 0.000 0.474 61 L N 0.044 121.171 121.223 -0.161 0.000 2.191 61 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 61 L C 1.976 178.720 176.870 -0.210 0.000 1.103 61 L CA 1.201 55.858 54.840 -0.305 0.000 0.769 61 L CB -0.866 41.157 42.059 -0.061 0.000 0.908 61 L HN 0.167 nan 8.230 nan 0.000 0.438 62 D N -0.329 120.004 120.400 -0.111 0.000 2.351 62 D HA -0.129 4.511 4.640 -0.000 0.000 0.216 62 D C 1.776 177.979 176.300 -0.162 0.000 0.968 62 D CA 1.814 55.751 54.000 -0.105 0.000 0.899 62 D CB 0.303 41.074 40.800 -0.048 0.000 0.907 62 D HN 0.500 nan 8.370 nan 0.000 0.514 63 T N -4.756 109.642 114.554 -0.260 0.000 2.992 63 T HA 0.046 4.396 4.350 -0.000 0.000 0.255 63 T C 1.252 175.611 174.700 -0.567 0.000 0.938 63 T CA -0.244 61.622 62.100 -0.390 0.000 0.895 63 T CB 0.148 68.749 68.868 -0.444 0.000 1.221 63 T HN 0.087 nan 8.240 nan 0.000 0.512 64 H N 0.432 119.301 119.070 -0.335 0.000 2.672 64 H HA 0.627 5.183 4.556 -0.000 0.000 0.277 64 H C 2.188 177.283 175.328 -0.388 0.000 1.074 64 H CA 0.285 56.103 56.048 -0.384 0.000 1.173 64 H CB 0.480 29.886 29.762 -0.594 0.000 1.558 64 H HN 0.483 nan 8.280 nan 0.000 0.539 65 A N 1.466 124.129 122.820 -0.261 0.000 1.873 65 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 65 A C 1.892 179.409 177.584 -0.112 0.000 1.193 65 A CA 2.253 54.170 52.037 -0.199 0.000 0.629 65 A CB -0.429 18.453 19.000 -0.196 0.000 0.826 65 A HN 0.250 nan 8.150 nan 0.000 0.447 66 D N -0.274 120.067 120.400 -0.098 0.000 2.123 66 D HA -0.001 4.639 4.640 -0.000 0.000 0.196 66 D C 2.212 178.504 176.300 -0.013 0.000 0.992 66 D CA 1.597 55.573 54.000 -0.039 0.000 0.833 66 D CB -0.231 40.540 40.800 -0.049 0.000 0.954 66 D HN 0.473 nan 8.370 nan 0.000 0.455 67 A N 0.242 123.044 122.820 -0.030 0.000 1.858 67 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 67 A C 2.377 179.948 177.584 -0.022 0.000 1.190 67 A CA 1.245 53.276 52.037 -0.010 0.000 0.617 67 A CB -0.875 18.158 19.000 0.054 0.000 0.827 67 A HN 0.151 nan 8.150 nan 0.000 0.443 68 V N -1.549 118.310 119.914 -0.092 0.000 2.490 68 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 68 V C 2.321 178.396 176.094 -0.032 0.000 1.061 68 V CA 2.065 64.225 62.300 -0.233 0.000 1.064 68 V CB -0.942 30.594 31.823 -0.479 0.000 0.670 68 V HN 0.710 nan 8.190 nan 0.000 0.461 69 Y N 0.951 121.196 120.300 -0.091 0.000 2.243 69 Y HA -0.121 4.429 4.550 -0.000 0.000 0.293 69 Y C 2.360 178.216 175.900 -0.072 0.000 1.124 69 Y CA 1.542 59.617 58.100 -0.041 0.000 1.159 69 Y CB -0.128 38.280 38.460 -0.086 0.000 1.008 69 Y HN 0.280 nan 8.280 nan 0.000 0.527 70 D N -0.026 120.305 120.400 -0.114 0.000 2.178 70 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 70 D C 2.119 178.211 176.300 -0.347 0.000 0.980 70 D CA 1.170 54.959 54.000 -0.352 0.000 0.842 70 D CB -0.151 40.309 40.800 -0.567 0.000 0.948 70 D HN 0.262 nan 8.370 nan 0.000 0.472 71 R N 0.812 121.218 120.500 -0.157 0.000 2.092 71 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 71 R C 2.143 178.433 176.300 -0.016 0.000 1.119 71 R CA 0.876 56.959 56.100 -0.028 0.000 0.970 71 R CB -0.470 29.921 30.300 0.152 0.000 0.864 71 R HN 0.158 nan 8.270 nan 0.000 0.440 72 L N -0.210 120.990 121.223 -0.039 0.000 2.418 72 L HA 0.112 4.452 4.340 -0.000 0.000 0.218 72 L C 1.200 177.995 176.870 -0.125 0.000 1.125 72 L CA 1.298 56.113 54.840 -0.041 0.000 0.835 72 L CB -0.063 41.997 42.059 0.002 0.000 0.953 72 L HN 0.351 nan 8.230 nan 0.000 0.454 73 T N -5.517 108.894 114.554 -0.239 0.000 3.252 73 T HA 0.135 4.485 4.350 -0.000 0.000 0.286 73 T C 0.323 174.941 174.700 -0.135 0.000 1.013 73 T CA -0.284 61.691 62.100 -0.209 0.000 0.914 73 T CB -0.082 68.559 68.868 -0.379 0.000 1.131 73 T HN 0.160 nan 8.240 nan 0.000 0.529 74 D N 2.608 122.960 120.400 -0.081 0.000 2.735 74 D HA -0.252 4.388 4.640 -0.000 0.000 0.235 74 D C -0.336 176.018 176.300 0.090 0.000 1.175 74 D CA 0.976 54.996 54.000 0.034 0.000 0.683 74 D CB -2.259 38.562 40.800 0.035 0.000 1.008 74 D HN 0.853 nan 8.370 nan 0.000 0.416 75 H N -0.373 118.639 119.070 -0.096 0.000 2.765 75 H HA -0.210 4.346 4.556 -0.000 0.000 0.332 75 H C 0.791 176.025 175.328 -0.156 0.000 1.180 75 H CA 1.121 57.114 56.048 -0.091 0.000 1.142 75 H CB -1.254 28.478 29.762 -0.049 0.000 1.576 75 H HN 0.519 nan 8.280 nan 0.000 0.420 76 R N -1.213 119.130 120.500 -0.262 0.000 3.610 76 R HA -0.302 4.038 4.340 -0.000 0.000 0.274 76 R C 1.465 177.572 176.300 -0.321 0.000 1.123 76 R CA 1.324 57.050 56.100 -0.622 0.000 0.747 76 R CB -0.749 29.243 30.300 -0.514 0.000 1.149 76 R HN 0.615 nan 8.270 nan 0.000 0.471 77 R N -0.058 120.365 120.500 -0.128 0.000 2.308 77 R HA 0.157 4.497 4.340 -0.000 0.000 0.202 77 R C -0.240 176.038 176.300 -0.038 0.000 0.898 77 R CA 0.341 56.416 56.100 -0.042 0.000 1.046 77 R CB 1.009 31.305 30.300 -0.006 0.000 1.026 77 R HN -0.022 nan 8.270 nan 0.000 0.512 78 V N 1.848 121.749 119.914 -0.020 0.000 2.487 78 V HA 0.261 4.381 4.120 -0.000 0.000 0.298 78 V C -0.675 175.491 176.094 0.120 0.000 1.028 78 V CA -0.976 61.336 62.300 0.020 0.000 0.860 78 V CB 1.510 33.346 31.823 0.023 0.000 0.991 78 V HN 0.185 nan 8.190 nan 0.000 0.427 79 H N 5.568 124.734 119.070 0.160 0.000 2.668 79 H HA 0.536 5.092 4.556 -0.000 0.000 0.303 79 H C -0.569 174.803 175.328 0.073 0.000 1.074 79 H CA -0.123 55.968 56.048 0.071 0.000 1.406 79 H CB 1.236 30.988 29.762 -0.017 0.000 1.442 79 H HN 0.427 nan 8.280 nan 0.000 0.482 80 L N 4.128 125.488 121.223 0.229 0.000 2.356 80 L HA 0.424 4.764 4.340 -0.000 0.000 0.277 80 L C 0.780 177.741 176.870 0.152 0.000 0.996 80 L CA -0.712 54.224 54.840 0.161 0.000 0.822 80 L CB 2.057 44.199 42.059 0.137 0.000 1.256 80 L HN 0.405 nan 8.230 nan 0.000 0.413 81 R N 1.469 122.038 120.500 0.115 0.000 2.801 81 R HA 0.181 4.521 4.340 -0.000 0.000 0.273 81 R C 1.228 177.604 176.300 0.127 0.000 1.080 81 R CA -0.347 55.814 56.100 0.102 0.000 1.197 81 R CB 0.561 30.908 30.300 0.078 0.000 1.109 81 R HN 0.571 nan 8.270 nan 0.000 0.535 82 L N 1.035 122.330 121.223 0.121 0.000 1.978 82 L HA -0.337 4.003 4.340 -0.000 0.000 0.218 82 L C 2.589 179.548 176.870 0.148 0.000 1.075 82 L CA 1.972 56.898 54.840 0.143 0.000 0.767 82 L CB -0.800 41.330 42.059 0.119 0.000 0.890 82 L HN 0.848 nan 8.230 nan 0.000 0.434 83 A N -0.132 122.758 122.820 0.117 0.000 1.859 83 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 83 A C 2.095 179.739 177.584 0.100 0.000 1.198 83 A CA 2.251 54.349 52.037 0.103 0.000 0.629 83 A CB -0.694 18.357 19.000 0.085 0.000 0.830 83 A HN 0.430 nan 8.150 nan 0.000 0.446 84 E N -0.573 119.685 120.200 0.097 0.000 2.049 84 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 84 E C 1.905 178.570 176.600 0.108 0.000 1.007 84 E CA 1.283 57.737 56.400 0.089 0.000 0.809 84 E CB -0.532 29.220 29.700 0.086 0.000 0.749 84 E HN 0.505 nan 8.360 nan 0.000 0.450 85 L N 0.565 121.880 121.223 0.153 0.000 1.978 85 L HA -0.214 4.126 4.340 -0.000 0.000 0.218 85 L C 2.371 179.368 176.870 0.211 0.000 1.075 85 L CA 2.144 57.115 54.840 0.219 0.000 0.767 85 L CB -0.799 41.451 42.059 0.319 0.000 0.890 85 L HN 0.239 nan 8.230 nan 0.000 0.434 86 V N -2.794 117.247 119.914 0.210 0.000 2.720 86 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 86 V C 2.240 178.319 176.094 -0.025 0.000 1.082 86 V CA 2.022 64.361 62.300 0.064 0.000 1.101 86 V CB -1.064 30.835 31.823 0.128 0.000 0.693 86 V HN 0.732 nan 8.190 nan 0.000 0.479 87 E N 0.767 120.986 120.200 0.031 0.000 2.190 87 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 87 E C 2.144 178.753 176.600 0.016 0.000 0.978 87 E CA 0.845 57.255 56.400 0.017 0.000 0.839 87 E CB -0.097 29.624 29.700 0.035 0.000 0.787 87 E HN 0.667 nan 8.360 nan 0.000 0.473 88 A N 0.863 123.705 122.820 0.036 0.000 2.014 88 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 88 A C 2.218 179.837 177.584 0.059 0.000 1.163 88 A CA 1.208 53.272 52.037 0.044 0.000 0.652 88 A CB -0.288 18.747 19.000 0.059 0.000 0.808 88 A HN 0.346 nan 8.150 nan 0.000 0.449 89 A N -0.448 122.388 122.820 0.027 0.000 2.072 89 A HA 0.415 4.735 4.320 -0.000 0.000 0.216 89 A C 2.315 179.927 177.584 0.048 0.000 1.156 89 A CA 1.335 53.397 52.037 0.042 0.000 0.701 89 A CB -0.606 18.194 19.000 -0.334 0.000 0.816 89 A HN 0.774 nan 8.150 nan 0.000 0.458 90 A N 0.251 123.055 122.820 -0.026 0.000 1.841 90 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 90 A C 2.423 180.024 177.584 0.029 0.000 1.195 90 A CA 2.429 54.461 52.037 -0.008 0.000 0.611 90 A CB -1.411 17.569 19.000 -0.032 0.000 0.835 90 A HN 0.656 nan 8.150 nan 0.000 0.443 91 T N -2.145 112.415 114.554 0.010 0.000 2.951 91 T HA 0.205 4.555 4.350 -0.000 0.000 0.268 91 T C 1.720 176.395 174.700 -0.042 0.000 1.073 91 T CA 1.342 63.437 62.100 -0.008 0.000 1.134 91 T CB -0.260 68.600 68.868 -0.013 0.000 0.884 91 T HN 0.524 nan 8.240 nan 0.000 0.479 92 A N 0.257 123.049 122.820 -0.045 0.000 2.132 92 A HA 0.493 4.813 4.320 -0.000 0.000 0.213 92 A C 0.615 177.866 177.584 -0.555 0.000 1.154 92 A CA 0.006 51.903 52.037 -0.233 0.000 0.753 92 A CB -0.201 18.714 19.000 -0.140 0.000 0.826 92 A HN 0.515 nan 8.150 nan 0.000 0.469 93 F N 0.708 120.641 119.950 -0.030 0.000 2.708 93 F HA 0.269 4.796 4.527 -0.000 0.000 0.344 93 F C -2.518 173.405 175.800 0.205 0.000 1.447 93 F CA -2.520 55.488 58.000 0.012 0.000 1.140 93 F CB 1.299 40.268 39.000 -0.051 0.000 1.657 93 F HN -0.021 nan 8.300 nan 0.000 0.598 94 P HA 0.100 nan 4.420 nan 0.000 0.261 94 P C 0.913 178.327 177.300 0.189 0.000 1.183 94 P CA 1.496 64.704 63.100 0.180 0.000 0.761 94 P CB 1.155 32.917 31.700 0.103 0.000 0.785 95 G N 2.523 111.364 108.800 0.069 0.000 2.254 95 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.225 95 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.225 95 G C 0.604 175.524 174.900 0.034 0.000 1.003 95 G CA 0.234 45.321 45.100 -0.022 0.000 0.622 95 G HN 0.538 nan 8.290 nan 0.000 0.507 96 L N 1.206 122.538 121.223 0.181 0.000 2.072 96 L HA 0.523 4.863 4.340 -0.000 0.000 0.205 96 L C 1.344 178.251 176.870 0.063 0.000 1.079 96 L CA 2.434 57.392 54.840 0.196 0.000 0.752 96 L CB 0.122 42.354 42.059 0.289 0.000 0.906 96 L HN 1.056 nan 8.230 nan 0.000 0.436 97 V N -5.731 114.175 119.914 -0.012 0.000 3.114 97 V HA 0.616 4.736 4.120 -0.000 0.000 0.308 97 V C -2.671 173.371 176.094 -0.087 0.000 1.168 97 V CA -2.233 60.025 62.300 -0.070 0.000 1.015 97 V CB 0.762 32.476 31.823 -0.182 0.000 1.050 97 V HN -0.112 nan 8.190 nan 0.000 0.433 98 P HA 0.170 nan 4.420 nan 0.000 0.266 98 P C 0.178 177.421 177.300 -0.095 0.000 1.186 98 P CA 0.566 63.569 63.100 -0.163 0.000 0.767 98 P CB 0.136 31.769 31.700 -0.112 0.000 0.820 99 T N -1.272 113.226 114.554 -0.094 0.000 2.902 99 T HA 0.172 4.522 4.350 -0.000 0.000 0.280 99 T C 1.145 175.829 174.700 -0.025 0.000 0.992 99 T CA -0.514 61.558 62.100 -0.047 0.000 1.015 99 T CB 0.887 69.731 68.868 -0.040 0.000 1.044 99 T HN 0.429 nan 8.240 nan 0.000 0.520 100 Q N 0.235 120.030 119.800 -0.008 0.000 1.998 100 Q HA -0.245 4.095 4.340 -0.000 0.000 0.209 100 Q C 2.363 178.369 176.000 0.010 0.000 1.002 100 Q CA 2.057 57.864 55.803 0.007 0.000 0.858 100 Q CB -0.239 28.505 28.738 0.010 0.000 0.932 100 Q HN 0.805 nan 8.270 nan 0.000 0.416 101 Q N -0.417 119.387 119.800 0.007 0.000 2.291 101 Q HA -0.194 4.146 4.340 -0.000 0.000 0.205 101 Q C 1.996 178.006 176.000 0.016 0.000 0.970 101 Q CA 1.025 56.835 55.803 0.012 0.000 0.876 101 Q CB 0.027 28.771 28.738 0.009 0.000 0.935 101 Q HN 0.477 nan 8.270 nan 0.000 0.455 102 Q N 0.506 120.308 119.800 0.003 0.000 2.170 102 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 102 Q C 1.819 177.850 176.000 0.052 0.000 0.976 102 Q CA 0.830 56.636 55.803 0.005 0.000 0.858 102 Q CB 0.094 28.788 28.738 -0.073 0.000 0.907 102 Q HN 0.373 nan 8.270 nan 0.000 0.433 103 L N -0.366 120.882 121.223 0.042 0.000 2.217 103 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 103 L C 2.390 179.297 176.870 0.062 0.000 1.107 103 L CA 0.781 55.662 54.840 0.068 0.000 0.783 103 L CB -0.418 41.675 42.059 0.057 0.000 0.919 103 L HN 0.190 nan 8.230 nan 0.000 0.442 104 A N -0.318 122.529 122.820 0.045 0.000 2.015 104 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 104 A C 2.338 179.945 177.584 0.037 0.000 1.163 104 A CA 1.417 53.475 52.037 0.036 0.000 0.646 104 A CB -0.587 18.429 19.000 0.026 0.000 0.806 104 A HN 0.180 nan 8.150 nan 0.000 0.448 105 V N 0.071 120.013 119.914 0.046 0.000 2.283 105 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 105 V C 2.535 178.658 176.094 0.049 0.000 1.039 105 V CA 1.959 64.286 62.300 0.045 0.000 1.016 105 V CB -0.704 31.152 31.823 0.055 0.000 0.650 105 V HN 0.511 nan 8.190 nan 0.000 0.449 106 E N 0.730 120.972 120.200 0.070 0.000 2.070 106 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 106 E C 2.486 179.123 176.600 0.061 0.000 1.004 106 E CA 2.133 58.573 56.400 0.066 0.000 0.805 106 E CB -0.362 29.397 29.700 0.099 0.000 0.744 106 E HN 0.627 nan 8.360 nan 0.000 0.451 107 R N 1.162 121.698 120.500 0.059 0.000 2.341 107 R HA -0.036 4.304 4.340 -0.000 0.000 0.213 107 R C 2.018 178.331 176.300 0.021 0.000 1.082 107 R CA 1.527 57.652 56.100 0.041 0.000 1.017 107 R CB -1.123 29.199 30.300 0.036 0.000 0.860 107 R HN 0.306 nan 8.270 nan 0.000 0.473 108 S N -1.008 114.706 115.700 0.023 0.000 2.572 108 S HA 0.415 4.885 4.470 -0.000 0.000 0.228 108 S C 0.208 174.816 174.600 0.014 0.000 0.963 108 S CA -0.549 57.658 58.200 0.012 0.000 0.939 108 S CB -0.334 62.873 63.200 0.012 0.000 0.804 108 S HN 0.381 nan 8.310 nan 0.000 0.480 109 L N 2.241 123.477 121.223 0.022 0.000 2.362 109 L HA 0.616 4.956 4.340 -0.000 0.000 0.271 109 L C -2.634 174.254 176.870 0.030 0.000 1.002 109 L CA -2.745 52.110 54.840 0.024 0.000 0.818 109 L CB 2.031 44.105 42.059 0.025 0.000 1.298 109 L HN -0.074 nan 8.230 nan 0.000 0.420 110 P HA 0.051 nan 4.420 nan 0.000 0.275 110 P C -0.013 177.319 177.300 0.053 0.000 1.227 110 P CA -0.347 62.772 63.100 0.032 0.000 0.781 110 P CB 1.117 32.834 31.700 0.029 0.000 0.906 111 Q N 2.616 122.449 119.800 0.056 0.000 2.207 111 Q HA -0.265 4.075 4.340 -0.000 0.000 0.215 111 Q C 1.959 178.030 176.000 0.119 0.000 1.006 111 Q CA 2.786 58.641 55.803 0.085 0.000 0.903 111 Q CB -1.183 27.573 28.738 0.030 0.000 0.947 111 Q HN 0.672 nan 8.270 nan 0.000 0.414 112 A N -0.543 122.330 122.820 0.088 0.000 2.168 112 A HA 0.134 4.454 4.320 -0.000 0.000 0.215 112 A C 1.907 179.542 177.584 0.085 0.000 1.152 112 A CA 1.402 53.498 52.037 0.098 0.000 0.716 112 A CB -0.118 18.927 19.000 0.073 0.000 0.794 112 A HN 0.347 nan 8.150 nan 0.000 0.465 113 A N -0.687 122.173 122.820 0.067 0.000 2.229 113 A HA 0.288 4.607 4.320 -0.000 0.000 0.211 113 A C 0.922 178.518 177.584 0.020 0.000 1.193 113 A CA -0.169 51.893 52.037 0.041 0.000 0.879 113 A CB 0.082 19.099 19.000 0.029 0.000 0.911 113 A HN 0.411 nan 8.150 nan 0.000 0.492 114 K N 0.802 121.224 120.400 0.036 0.000 2.336 114 K HA 0.105 4.425 4.320 -0.000 0.000 0.262 114 K C 0.166 176.667 176.600 -0.165 0.000 0.992 114 K CA -0.056 56.215 56.287 -0.026 0.000 0.927 114 K CB 0.531 33.081 32.500 0.084 0.000 0.956 114 K HN 0.073 nan 8.250 nan 0.000 0.495 115 E N 0.408 120.426 120.200 -0.304 0.000 2.435 115 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 115 E C 0.797 176.974 176.600 -0.705 0.000 1.029 115 E CA 0.625 56.756 56.400 -0.449 0.000 0.865 115 E CB 0.158 29.509 29.700 -0.582 0.000 0.833 115 E HN 0.982 nan 8.360 nan 0.000 0.510 116 G N 1.223 109.498 108.800 -0.874 0.000 2.171 116 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.238 116 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.238 116 G C 0.512 175.025 174.900 -0.646 0.000 1.039 116 G CA 0.563 44.897 45.100 -1.278 0.000 0.759 116 G HN 0.455 nan 8.290 nan 0.000 0.501 117 H N -0.333 118.506 119.070 -0.385 0.000 2.421 117 H HA -0.017 4.539 4.556 -0.000 0.000 0.298 117 H C 2.506 177.783 175.328 -0.085 0.000 1.087 117 H CA 1.389 57.323 56.048 -0.190 0.000 1.330 117 H CB 0.231 29.934 29.762 -0.099 0.000 1.388 117 H HN 0.630 nan 8.280 nan 0.000 0.526 118 E N 0.669 120.938 120.200 0.115 0.000 2.171 118 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 118 E C 1.991 178.675 176.600 0.140 0.000 0.997 118 E CA 0.919 57.425 56.400 0.176 0.000 0.810 118 E CB -0.077 29.802 29.700 0.300 0.000 0.738 118 E HN 0.570 nan 8.360 nan 0.000 0.467 119 I N 1.738 122.365 120.570 0.094 0.000 2.399 119 I HA -0.288 3.882 4.170 -0.000 0.000 0.254 119 I C 1.725 177.876 176.117 0.056 0.000 1.146 119 I CA 0.970 62.304 61.300 0.058 0.000 1.412 119 I CB -0.308 37.674 38.000 -0.029 0.000 1.076 119 I HN 0.053 nan 8.210 nan 0.000 0.432 120 D N 0.447 120.884 120.400 0.062 0.000 2.178 120 D HA -0.159 4.481 4.640 -0.000 0.000 0.202 120 D C 2.212 178.588 176.300 0.127 0.000 0.974 120 D CA 1.097 55.145 54.000 0.081 0.000 0.841 120 D CB -0.120 40.714 40.800 0.056 0.000 0.953 120 D HN 0.484 nan 8.370 nan 0.000 0.478 121 Q N 0.136 120.014 119.800 0.130 0.000 2.172 121 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 121 Q C 2.239 178.355 176.000 0.193 0.000 0.964 121 Q CA 1.072 56.992 55.803 0.195 0.000 0.855 121 Q CB -0.130 28.706 28.738 0.163 0.000 0.918 121 Q HN 0.226 nan 8.270 nan 0.000 0.444 122 G N 1.386 110.255 108.800 0.116 0.000 2.459 122 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 122 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 122 G C 1.409 176.344 174.900 0.058 0.000 1.183 122 G CA 0.784 45.918 45.100 0.056 0.000 0.776 122 G HN 0.237 nan 8.290 nan 0.000 0.552 123 I N -0.279 120.342 120.570 0.084 0.000 2.163 123 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 123 I C 2.454 178.647 176.117 0.127 0.000 1.085 123 I CA 1.138 62.490 61.300 0.086 0.000 1.347 123 I CB -0.346 37.718 38.000 0.107 0.000 1.044 123 I HN 0.167 nan 8.210 nan 0.000 0.408 124 F N 1.985 121.953 119.950 0.031 0.000 2.046 124 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 124 F C 2.276 178.082 175.800 0.009 0.000 1.123 124 F CA 1.753 59.772 58.000 0.032 0.000 1.199 124 F CB -0.582 38.451 39.000 0.056 0.000 0.972 124 F HN -0.134 nan 8.300 nan 0.000 0.474 125 L N 0.082 121.261 121.223 -0.073 0.000 2.042 125 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 125 L C 2.731 179.484 176.870 -0.195 0.000 1.076 125 L CA 1.796 56.515 54.840 -0.201 0.000 0.749 125 L CB -0.843 41.204 42.059 -0.021 0.000 0.893 125 L HN 0.188 nan 8.230 nan 0.000 0.432 126 R N 0.680 121.111 120.500 -0.115 0.000 2.080 126 R HA -0.215 4.125 4.340 -0.000 0.000 0.236 126 R C 2.336 178.544 176.300 -0.153 0.000 1.137 126 R CA 1.803 57.834 56.100 -0.117 0.000 0.943 126 R CB -0.335 29.918 30.300 -0.078 0.000 0.846 126 R HN 0.316 nan 8.270 nan 0.000 0.431 127 A N 0.230 122.957 122.820 -0.156 0.000 1.972 127 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 127 A C 2.269 179.697 177.584 -0.261 0.000 1.169 127 A CA 1.540 53.471 52.037 -0.176 0.000 0.635 127 A CB -0.363 18.555 19.000 -0.136 0.000 0.810 127 A HN 0.271 nan 8.150 nan 0.000 0.446 128 V N -0.210 119.476 119.914 -0.380 0.000 2.453 128 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 128 V C 2.399 178.271 176.094 -0.371 0.000 1.048 128 V CA 1.724 63.745 62.300 -0.466 0.000 1.049 128 V CB -0.544 30.894 31.823 -0.642 0.000 0.672 128 V HN 0.570 nan 8.190 nan 0.000 0.457 129 L N -0.836 120.220 121.223 -0.278 0.000 2.313 129 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 129 L C 2.559 179.324 176.870 -0.174 0.000 1.119 129 L CA 0.929 55.642 54.840 -0.212 0.000 0.809 129 L CB -0.440 41.508 42.059 -0.183 0.000 0.933 129 L HN 0.181 nan 8.230 nan 0.000 0.449 130 R N -0.389 120.009 120.500 -0.170 0.000 2.189 130 R HA -0.013 4.327 4.340 -0.000 0.000 0.218 130 R C 1.164 177.386 176.300 -0.130 0.000 1.074 130 R CA 0.186 56.207 56.100 -0.132 0.000 0.991 130 R CB 0.030 30.258 30.300 -0.120 0.000 0.883 130 R HN 0.112 nan 8.270 nan 0.000 0.457 131 S N 1.704 117.303 115.700 -0.168 0.000 2.488 131 S HA 0.106 4.576 4.470 -0.000 0.000 0.278 131 S C -1.492 173.031 174.600 -0.127 0.000 1.259 131 S CA -1.575 56.530 58.200 -0.158 0.000 1.061 131 S CB 1.063 64.133 63.200 -0.216 0.000 0.910 131 S HN 0.041 nan 8.310 nan 0.000 0.491 132 P HA -0.055 nan 4.420 nan 0.000 0.225 132 P C 1.067 178.343 177.300 -0.040 0.000 1.148 132 P CA 0.798 63.867 63.100 -0.052 0.000 0.779 132 P CB 0.185 31.864 31.700 -0.035 0.000 0.780 133 L N -0.957 120.230 121.223 -0.059 0.000 2.262 133 L HA 0.171 4.510 4.340 -0.000 0.000 0.197 133 L C 2.747 179.582 176.870 -0.059 0.000 1.073 133 L CA 1.026 55.847 54.840 -0.032 0.000 0.800 133 L CB -0.997 41.049 42.059 -0.022 0.000 0.987 133 L HN -0.156 nan 8.230 nan 0.000 0.470 134 A N 0.347 123.042 122.820 -0.210 0.000 1.897 134 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 134 A C 2.300 179.620 177.584 -0.440 0.000 1.181 134 A CA 1.535 53.233 52.037 -0.564 0.000 0.620 134 A CB -1.273 17.132 19.000 -0.991 0.000 0.821 134 A HN 0.406 nan 8.150 nan 0.000 0.443 135 G N 0.411 109.037 108.800 -0.290 0.000 2.514 135 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 135 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 135 G C -0.260 174.607 174.900 -0.056 0.000 1.198 135 G CA 1.419 46.410 45.100 -0.181 0.000 0.780 135 G HN 0.483 nan 8.290 nan 0.000 0.565 136 P HA -0.115 nan 4.420 nan 0.000 0.216 136 P C 1.619 178.995 177.300 0.126 0.000 1.150 136 P CA 1.244 64.385 63.100 0.068 0.000 0.837 136 P CB -0.178 31.566 31.700 0.073 0.000 0.786 137 H N -0.327 118.789 119.070 0.076 0.000 2.353 137 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 137 H C 1.828 177.304 175.328 0.247 0.000 1.090 137 H CA 1.340 57.517 56.048 0.214 0.000 1.327 137 H CB -0.526 29.400 29.762 0.274 0.000 1.383 137 H HN -0.043 nan 8.280 nan 0.000 0.508 138 L N 1.156 122.489 121.223 0.183 0.000 2.017 138 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 138 L C 2.481 179.379 176.870 0.047 0.000 1.073 138 L CA 1.282 56.206 54.840 0.141 0.000 0.745 138 L CB -0.901 41.204 42.059 0.076 0.000 0.894 138 L HN 0.249 nan 8.230 nan 0.000 0.432 139 L N -0.491 120.759 121.223 0.044 0.000 2.127 139 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 139 L C 2.207 179.104 176.870 0.044 0.000 1.089 139 L CA 1.279 56.167 54.840 0.079 0.000 0.757 139 L CB -0.833 41.306 42.059 0.134 0.000 0.899 139 L HN 0.354 nan 8.230 nan 0.000 0.434 140 D N 0.018 120.395 120.400 -0.038 0.000 2.123 140 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 140 D C 2.262 178.373 176.300 -0.315 0.000 0.976 140 D CA 1.349 55.252 54.000 -0.161 0.000 0.831 140 D CB 0.100 40.788 40.800 -0.186 0.000 0.974 140 D HN 0.272 nan 8.370 nan 0.000 0.469 141 A N 1.033 123.640 122.820 -0.356 0.000 1.948 141 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 141 A C 2.081 179.599 177.584 -0.109 0.000 1.177 141 A CA 1.414 53.280 52.037 -0.284 0.000 0.636 141 A CB -0.377 18.593 19.000 -0.050 0.000 0.815 141 A HN 0.122 nan 8.150 nan 0.000 0.449 142 M N -0.695 118.881 119.600 -0.039 0.000 2.419 142 M HA 0.126 4.606 4.480 -0.000 0.000 0.264 142 M C 1.707 178.007 176.300 0.001 0.000 1.082 142 M CA 0.855 56.160 55.300 0.009 0.000 1.119 142 M CB -1.078 31.552 32.600 0.050 0.000 1.398 142 M HN 0.371 nan 8.290 nan 0.000 0.453 143 L N -0.624 120.581 121.223 -0.029 0.000 2.554 143 L HA -0.002 4.338 4.340 -0.000 0.000 0.226 143 L C 0.896 177.733 176.870 -0.055 0.000 1.137 143 L CA 0.057 54.870 54.840 -0.046 0.000 0.863 143 L CB -0.257 41.755 42.059 -0.078 0.000 0.985 143 L HN 0.175 nan 8.230 nan 0.000 0.451 144 R N 1.318 121.779 120.500 -0.065 0.000 2.490 144 R HA 0.223 4.563 4.340 -0.000 0.000 0.278 144 R C -2.149 174.146 176.300 -0.008 0.000 1.069 144 R CA -1.890 54.186 56.100 -0.039 0.000 1.080 144 R CB -0.003 30.263 30.300 -0.056 0.000 1.030 144 R HN -0.141 nan 8.270 nan 0.000 0.491 145 P HA -0.067 nan 4.420 nan 0.000 0.265 145 P C -0.222 177.087 177.300 0.016 0.000 1.193 145 P CA 0.074 63.183 63.100 0.014 0.000 0.765 145 P CB 0.485 32.199 31.700 0.023 0.000 0.823 146 T N 0.627 115.189 114.554 0.014 0.000 2.898 146 T HA 0.190 4.540 4.350 -0.000 0.000 0.301 146 T C -1.781 172.931 174.700 0.019 0.000 1.049 146 T CA -1.545 60.566 62.100 0.018 0.000 1.095 146 T CB 0.067 68.944 68.868 0.014 0.000 0.976 146 T HN 0.187 nan 8.240 nan 0.000 0.539 147 P HA -0.079 nan 4.420 nan 0.000 0.216 147 P C 1.666 178.978 177.300 0.020 0.000 1.150 147 P CA 0.798 63.912 63.100 0.024 0.000 0.837 147 P CB 0.044 31.761 31.700 0.028 0.000 0.786 148 R N -0.229 120.281 120.500 0.016 0.000 2.120 148 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 148 R C 1.919 178.221 176.300 0.003 0.000 1.123 148 R CA 1.591 57.697 56.100 0.010 0.000 0.975 148 R CB -0.618 29.686 30.300 0.006 0.000 0.866 148 R HN 0.098 nan 8.270 nan 0.000 0.446 149 A N 0.878 123.698 122.820 -0.001 0.000 1.874 149 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 149 A C 2.147 179.738 177.584 0.011 0.000 1.189 149 A CA 0.743 52.774 52.037 -0.009 0.000 0.615 149 A CB -0.414 18.578 19.000 -0.014 0.000 0.830 149 A HN 0.305 nan 8.150 nan 0.000 0.443 150 L N -0.526 120.709 121.223 0.020 0.000 2.127 150 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 150 L C 2.597 179.486 176.870 0.032 0.000 1.089 150 L CA 1.700 56.558 54.840 0.029 0.000 0.757 150 L CB -0.432 41.644 42.059 0.028 0.000 0.899 150 L HN 0.584 nan 8.230 nan 0.000 0.434 151 E N 0.703 120.919 120.200 0.028 0.000 2.072 151 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 151 E C 2.155 178.778 176.600 0.038 0.000 0.982 151 E CA 0.862 57.280 56.400 0.030 0.000 0.803 151 E CB 0.086 29.802 29.700 0.025 0.000 0.755 151 E HN 0.503 nan 8.360 nan 0.000 0.453 152 L N 0.980 122.225 121.223 0.037 0.000 2.558 152 L HA -0.013 4.327 4.340 -0.000 0.000 0.225 152 L C 2.300 179.227 176.870 0.095 0.000 1.128 152 L CA -0.313 54.560 54.840 0.055 0.000 0.868 152 L CB -0.150 41.929 42.059 0.033 0.000 1.006 152 L HN 0.192 nan 8.230 nan 0.000 0.454 153 L N 1.902 123.176 121.223 0.085 0.000 1.971 153 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 153 L C -0.236 176.718 176.870 0.141 0.000 1.072 153 L CA 2.343 57.260 54.840 0.128 0.000 0.758 153 L CB -1.484 40.629 42.059 0.090 0.000 0.889 153 L HN 0.108 nan 8.230 nan 0.000 0.433 154 P HA -0.212 nan 4.420 nan 0.000 0.214 154 P C 1.270 178.611 177.300 0.069 0.000 1.163 154 P CA 1.650 64.789 63.100 0.066 0.000 0.889 154 P CB -0.191 31.536 31.700 0.045 0.000 0.790 155 E N -1.067 119.183 120.200 0.084 0.000 2.110 155 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 155 E C 1.941 178.606 176.600 0.109 0.000 0.988 155 E CA 0.715 57.164 56.400 0.081 0.000 0.804 155 E CB -0.899 28.852 29.700 0.085 0.000 0.745 155 E HN 0.241 nan 8.360 nan 0.000 0.458 156 F N 1.404 121.361 119.950 0.011 0.000 2.102 156 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 156 F C 2.227 178.030 175.800 0.005 0.000 1.105 156 F CA 0.906 58.911 58.000 0.009 0.000 1.239 156 F CB -0.481 38.524 39.000 0.008 0.000 0.991 156 F HN -0.210 nan 8.300 nan 0.000 0.474 157 V N 1.153 121.015 119.914 -0.086 0.000 2.287 157 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 157 V C 2.650 178.642 176.094 -0.171 0.000 1.053 157 V CA 2.433 64.635 62.300 -0.162 0.000 1.027 157 V CB -0.886 30.920 31.823 -0.028 0.000 0.646 157 V HN 0.350 nan 8.190 nan 0.000 0.447 158 R N -0.508 119.936 120.500 -0.092 0.000 2.062 158 R HA -0.136 4.204 4.340 -0.000 0.000 0.229 158 R C 2.358 178.602 176.300 -0.093 0.000 1.128 158 R CA 2.051 58.108 56.100 -0.071 0.000 0.960 158 R CB -0.399 29.885 30.300 -0.027 0.000 0.855 158 R HN 0.477 nan 8.270 nan 0.000 0.432 159 T N -1.076 113.422 114.554 -0.093 0.000 2.937 159 T HA 0.102 4.452 4.350 -0.000 0.000 0.260 159 T C 1.031 175.641 174.700 -0.149 0.000 1.051 159 T CA 1.127 63.182 62.100 -0.075 0.000 1.141 159 T CB 0.011 68.882 68.868 0.004 0.000 0.879 159 T HN 0.644 nan 8.240 nan 0.000 0.459 160 G N 1.748 110.325 108.800 -0.371 0.000 2.155 160 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 160 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 160 G C -0.012 174.790 174.900 -0.163 0.000 0.983 160 G CA 0.682 45.458 45.100 -0.540 0.000 0.676 160 G HN 0.620 nan 8.290 nan 0.000 0.528 161 E N -1.078 119.173 120.200 0.085 0.000 2.366 161 E HA 0.650 5.000 4.350 -0.000 0.000 0.278 161 E C -1.166 175.622 176.600 0.314 0.000 0.923 161 E CA -0.846 55.705 56.400 0.251 0.000 0.761 161 E CB 2.520 32.323 29.700 0.171 0.000 1.231 161 E HN 0.454 nan 8.360 nan 0.000 0.443 162 V N 2.822 122.891 119.914 0.258 0.000 2.737 162 V HA 0.263 4.383 4.120 -0.000 0.000 0.298 162 V C -1.108 175.090 176.094 0.174 0.000 1.163 162 V CA -0.858 61.546 62.300 0.174 0.000 0.925 162 V CB 1.820 33.686 31.823 0.073 0.000 1.037 162 V HN 0.710 nan 8.190 nan 0.000 0.433 163 E N 4.984 125.277 120.200 0.155 0.000 2.109 163 E HA 0.645 4.995 4.350 -0.000 0.000 0.278 163 E C -0.793 175.850 176.600 0.073 0.000 0.954 163 E CA -0.373 56.113 56.400 0.143 0.000 0.779 163 E CB 1.907 31.661 29.700 0.090 0.000 1.093 163 E HN 0.572 nan 8.360 nan 0.000 0.401 164 M N 1.412 121.046 119.600 0.058 0.000 2.762 164 M HA 0.182 4.662 4.480 -0.000 0.000 0.306 164 M C 1.348 177.662 176.300 0.023 0.000 1.223 164 M CA -0.463 54.852 55.300 0.024 0.000 0.896 164 M CB 1.496 34.093 32.600 -0.005 0.000 1.684 164 M HN 0.511 nan 8.290 nan 0.000 0.491 165 E N 0.711 120.921 120.200 0.017 0.000 2.085 165 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 165 E C 1.093 177.702 176.600 0.014 0.000 0.994 165 E CA 1.858 58.270 56.400 0.020 0.000 0.801 165 E CB 0.213 29.930 29.700 0.028 0.000 0.743 165 E HN 0.729 nan 8.360 nan 0.000 0.453 166 A N -0.089 122.732 122.820 0.002 0.000 2.469 166 A HA 0.319 4.639 4.320 -0.000 0.000 0.245 166 A C -0.194 177.373 177.584 -0.028 0.000 1.221 166 A CA -0.269 51.760 52.037 -0.014 0.000 0.946 166 A CB 1.095 20.083 19.000 -0.020 0.000 1.049 166 A HN 0.062 nan 8.150 nan 0.000 0.529 167 V N 0.468 120.374 119.914 -0.013 0.000 2.808 167 V HA 0.282 4.402 4.120 -0.000 0.000 0.308 167 V C -0.975 175.159 176.094 0.065 0.000 1.099 167 V CA -0.711 61.585 62.300 -0.007 0.000 0.920 167 V CB 1.866 33.648 31.823 -0.067 0.000 1.014 167 V HN 0.515 nan 8.190 nan 0.000 0.425 168 H N 4.916 123.973 119.070 -0.022 0.000 2.504 168 H HA 0.648 5.204 4.556 -0.000 0.000 0.322 168 H C -1.603 173.734 175.328 0.016 0.000 1.055 168 H CA -0.754 55.296 56.048 0.003 0.000 1.231 168 H CB 1.790 31.560 29.762 0.013 0.000 1.417 168 H HN 0.523 nan 8.280 nan 0.000 0.472 169 L N 5.260 126.343 121.223 -0.234 0.000 2.322 169 L HA 0.372 4.712 4.340 -0.000 0.000 0.281 169 L C -0.909 175.835 176.870 -0.209 0.000 1.014 169 L CA -0.258 54.446 54.840 -0.226 0.000 0.815 169 L CB 1.570 43.505 42.059 -0.207 0.000 1.247 169 L HN 0.794 nan 8.230 nan 0.000 0.421 170 E N 4.621 124.745 120.200 -0.127 0.000 2.290 170 E HA 0.321 4.671 4.350 -0.000 0.000 0.274 170 E C -1.372 175.292 176.600 0.107 0.000 0.889 170 E CA -0.877 55.524 56.400 0.002 0.000 0.760 170 E CB 1.523 31.139 29.700 -0.141 0.000 1.206 170 E HN 0.706 nan 8.360 nan 0.000 0.419 171 R N 4.446 125.014 120.500 0.114 0.000 2.202 171 R HA 0.375 4.715 4.340 -0.000 0.000 0.334 171 R C -0.816 175.468 176.300 -0.027 0.000 1.036 171 R CA -0.316 55.804 56.100 0.033 0.000 0.878 171 R CB 0.776 30.990 30.300 -0.143 0.000 1.067 171 R HN 0.459 nan 8.270 nan 0.000 0.457 172 R N 3.571 124.064 120.500 -0.013 0.000 2.533 172 R HA 0.123 4.463 4.340 -0.000 0.000 0.288 172 R C -1.043 175.244 176.300 -0.021 0.000 1.039 172 R CA -0.428 55.661 56.100 -0.018 0.000 0.909 172 R CB 1.122 31.421 30.300 -0.002 0.000 1.195 172 R HN 0.844 nan 8.270 nan 0.000 0.438 173 D N 3.502 123.887 120.400 -0.026 0.000 2.686 173 D HA -0.202 4.438 4.640 -0.000 0.000 0.235 173 D C 0.583 176.863 176.300 -0.033 0.000 1.160 173 D CA 1.786 55.770 54.000 -0.026 0.000 0.645 173 D CB -0.822 39.966 40.800 -0.019 0.000 1.039 173 D HN 1.093 nan 8.370 nan 0.000 0.423 174 G N -1.852 106.924 108.800 -0.040 0.000 2.155 174 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 174 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 174 G C 0.318 175.181 174.900 -0.061 0.000 0.983 174 G CA 0.401 45.472 45.100 -0.048 0.000 0.676 174 G HN 0.599 nan 8.290 nan 0.000 0.528 175 V N 0.248 120.132 119.914 -0.049 0.000 2.495 175 V HA 0.803 4.923 4.120 -0.000 0.000 0.298 175 V C 0.543 176.618 176.094 -0.032 0.000 1.031 175 V CA -0.476 61.787 62.300 -0.062 0.000 0.871 175 V CB 1.854 33.651 31.823 -0.042 0.000 0.988 175 V HN 1.106 nan 8.190 nan 0.000 0.432 176 A N 5.075 127.854 122.820 -0.070 0.000 2.316 176 A HA 0.570 4.890 4.320 -0.000 0.000 0.311 176 A C 0.250 177.847 177.584 0.022 0.000 1.339 176 A CA -0.407 51.633 52.037 0.005 0.000 0.960 176 A CB -0.166 18.806 19.000 -0.048 0.000 1.152 176 A HN 0.835 nan 8.150 nan 0.000 0.547 177 R N 2.235 122.759 120.500 0.039 0.000 2.205 177 R HA 0.397 4.737 4.340 -0.000 0.000 0.342 177 R C -1.316 174.996 176.300 0.021 0.000 1.058 177 R CA -0.339 55.783 56.100 0.037 0.000 0.904 177 R CB 0.588 30.895 30.300 0.011 0.000 1.089 177 R HN 0.543 nan 8.270 nan 0.000 0.471 178 L N 2.824 124.100 121.223 0.090 0.000 2.265 178 L HA 0.329 4.669 4.340 -0.000 0.000 0.289 178 L C 0.009 176.904 176.870 0.041 0.000 1.033 178 L CA 0.059 54.933 54.840 0.057 0.000 0.814 178 L CB 1.789 43.919 42.059 0.119 0.000 1.203 178 L HN 0.493 nan 8.230 nan 0.000 0.423 179 T N 3.982 118.547 114.554 0.019 0.000 2.788 179 T HA 0.490 4.839 4.350 -0.000 0.000 0.296 179 T C 0.239 174.937 174.700 -0.003 0.000 1.009 179 T CA -0.476 61.643 62.100 0.031 0.000 0.949 179 T CB 0.704 69.632 68.868 0.099 0.000 0.946 179 T HN 0.364 nan 8.240 nan 0.000 0.453 180 M N 3.087 122.643 119.600 -0.074 0.000 2.292 180 M HA 0.179 4.659 4.480 -0.000 0.000 0.342 180 M C 0.609 176.865 176.300 -0.073 0.000 1.538 180 M CA -0.434 54.799 55.300 -0.111 0.000 1.163 180 M CB -0.089 32.380 32.600 -0.219 0.000 1.823 180 M HN 0.825 nan 8.290 nan 0.000 0.462 181 C N 1.571 120.849 119.300 -0.038 0.000 2.534 181 C HA 0.429 4.889 4.460 -0.000 0.000 0.285 181 C C 0.513 175.489 174.990 -0.023 0.000 1.505 181 C CA -1.004 58.001 59.018 -0.021 0.000 1.715 181 C CB -0.642 27.103 27.740 0.008 0.000 2.935 181 C HN 0.684 nan 8.230 nan 0.000 0.540 182 R N 2.175 122.651 120.500 -0.040 0.000 4.138 182 R HA 0.096 4.436 4.340 -0.000 0.000 0.206 182 R C 0.948 177.236 176.300 -0.021 0.000 1.667 182 R CA 0.353 56.436 56.100 -0.028 0.000 1.481 182 R CB -0.253 30.020 30.300 -0.044 0.000 1.388 182 R HN 0.890 nan 8.270 nan 0.000 0.776 183 D N -0.223 120.175 120.400 -0.004 0.000 2.280 183 D HA -0.236 4.404 4.640 -0.000 0.000 0.206 183 D C 0.934 177.267 176.300 0.054 0.000 0.988 183 D CA 1.600 55.610 54.000 0.017 0.000 0.886 183 D CB 0.198 41.011 40.800 0.023 0.000 0.914 183 D HN 0.417 nan 8.370 nan 0.000 0.473 184 D N 0.520 120.953 120.400 0.056 0.000 2.301 184 D HA -0.121 4.519 4.640 -0.000 0.000 0.206 184 D C 1.530 177.887 176.300 0.095 0.000 0.979 184 D CA 0.235 54.299 54.000 0.108 0.000 0.874 184 D CB -0.337 40.518 40.800 0.091 0.000 0.968 184 D HN 0.490 nan 8.370 nan 0.000 0.510 185 R N 0.374 120.884 120.500 0.017 0.000 2.613 185 R HA 0.312 4.652 4.340 -0.000 0.000 0.361 185 R C -0.005 176.256 176.300 -0.066 0.000 1.072 185 R CA -0.658 55.426 56.100 -0.027 0.000 1.089 185 R CB -0.118 30.148 30.300 -0.056 0.000 1.343 185 R HN -0.181 nan 8.270 nan 0.000 0.571 186 L N 1.564 122.736 121.223 -0.084 0.000 3.717 186 L HA -0.290 4.050 4.340 -0.000 0.000 0.414 186 L C -0.585 176.219 176.870 -0.110 0.000 1.228 186 L CA 0.873 55.633 54.840 -0.134 0.000 0.918 186 L CB -2.170 39.804 42.059 -0.142 0.000 1.865 186 L HN 0.665 nan 8.230 nan 0.000 0.922 187 N N -3.136 115.504 118.700 -0.100 0.000 2.741 187 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 187 N C 0.770 176.225 175.510 -0.091 0.000 1.115 187 N CA 1.164 54.150 53.050 -0.106 0.000 0.724 187 N CB -0.818 37.575 38.487 -0.155 0.000 1.090 187 N HN 0.839 nan 8.380 nan 0.000 0.558 188 A N 0.447 123.212 122.820 -0.092 0.000 2.561 188 A HA 0.162 4.482 4.320 -0.000 0.000 0.234 188 A C 0.662 178.191 177.584 -0.091 0.000 1.055 188 A CA 0.407 52.381 52.037 -0.105 0.000 0.756 188 A CB 0.330 19.235 19.000 -0.159 0.000 0.986 188 A HN 0.306 nan 8.150 nan 0.000 0.505 189 E N 0.671 120.852 120.200 -0.031 0.000 2.283 189 E HA 0.492 4.842 4.350 -0.000 0.000 0.271 189 E C -0.869 175.759 176.600 0.047 0.000 1.031 189 E CA -0.352 56.110 56.400 0.103 0.000 0.868 189 E CB 1.072 30.967 29.700 0.326 0.000 1.094 189 E HN 0.794 nan 8.360 nan 0.000 0.401 190 D N -0.275 120.279 120.400 0.256 0.000 2.692 190 D HA 0.177 4.816 4.640 -0.000 0.000 0.303 190 D C 0.813 177.416 176.300 0.505 0.000 1.278 190 D CA -0.619 53.483 54.000 0.169 0.000 0.852 190 D CB -0.062 40.862 40.800 0.207 0.000 1.375 190 D HN 0.369 nan 8.370 nan 0.000 0.453 191 G N -0.694 108.341 108.800 0.391 0.000 2.469 191 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 191 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 191 G C 1.247 176.287 174.900 0.234 0.000 1.150 191 G CA 1.592 46.927 45.100 0.392 0.000 0.763 191 G HN 0.495 nan 8.290 nan 0.000 0.561 192 Q N -0.094 119.813 119.800 0.178 0.000 2.123 192 Q HA -0.035 4.305 4.340 -0.000 0.000 0.199 192 Q C 2.514 178.559 176.000 0.075 0.000 0.966 192 Q CA 1.574 57.441 55.803 0.107 0.000 0.845 192 Q CB -0.519 28.276 28.738 0.096 0.000 0.907 192 Q HN 0.555 nan 8.270 nan 0.000 0.439 193 Q N -0.311 119.549 119.800 0.101 0.000 2.061 193 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 193 Q C 1.948 177.925 176.000 -0.039 0.000 0.984 193 Q CA 1.961 57.785 55.803 0.034 0.000 0.846 193 Q CB -0.146 28.638 28.738 0.078 0.000 0.902 193 Q HN 0.382 nan 8.270 nan 0.000 0.421 194 V N 1.250 121.181 119.914 0.028 0.000 2.295 194 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 194 V C 2.116 178.161 176.094 -0.080 0.000 1.049 194 V CA 2.286 64.558 62.300 -0.048 0.000 1.024 194 V CB -0.778 31.025 31.823 -0.034 0.000 0.648 194 V HN 0.454 nan 8.190 nan 0.000 0.447 195 D N -0.225 120.166 120.400 -0.014 0.000 2.117 195 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 195 D C 1.737 177.994 176.300 -0.071 0.000 0.987 195 D CA 1.473 55.461 54.000 -0.019 0.000 0.829 195 D CB -0.066 40.744 40.800 0.017 0.000 0.961 195 D HN 0.421 nan 8.370 nan 0.000 0.460 196 D N -0.519 119.831 120.400 -0.083 0.000 2.117 196 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 196 D C 2.055 178.238 176.300 -0.195 0.000 0.987 196 D CA 0.731 54.666 54.000 -0.108 0.000 0.829 196 D CB -0.168 40.584 40.800 -0.079 0.000 0.961 196 D HN 0.285 nan 8.370 nan 0.000 0.460 197 M N 0.303 119.706 119.600 -0.328 0.000 2.086 197 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 197 M C 2.194 178.203 176.300 -0.484 0.000 1.067 197 M CA 1.177 56.137 55.300 -0.567 0.000 1.116 197 M CB -0.909 30.975 32.600 -1.193 0.000 1.348 197 M HN 0.107 nan 8.290 nan 0.000 0.407 198 E N -0.392 119.599 120.200 -0.349 0.000 2.110 198 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 198 E C 1.665 178.212 176.600 -0.089 0.000 0.988 198 E CA 1.723 58.054 56.400 -0.115 0.000 0.804 198 E CB 0.165 29.868 29.700 0.005 0.000 0.745 198 E HN 0.414 nan 8.360 nan 0.000 0.458 199 T N 0.330 114.822 114.554 -0.103 0.000 2.777 199 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 199 T C 1.827 176.455 174.700 -0.120 0.000 1.040 199 T CA 1.159 63.207 62.100 -0.087 0.000 1.141 199 T CB -0.258 68.563 68.868 -0.078 0.000 0.868 199 T HN 0.347 nan 8.240 nan 0.000 0.444 200 A N 1.028 123.758 122.820 -0.149 0.000 1.873 200 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 200 A C 2.577 180.117 177.584 -0.075 0.000 1.186 200 A CA 1.246 53.187 52.037 -0.160 0.000 0.616 200 A CB -1.024 17.888 19.000 -0.146 0.000 0.823 200 A HN 0.335 nan 8.150 nan 0.000 0.442 201 V N 0.706 120.585 119.914 -0.058 0.000 2.343 201 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 201 V C 2.206 178.350 176.094 0.083 0.000 1.051 201 V CA 2.294 64.618 62.300 0.040 0.000 1.036 201 V CB -0.813 30.949 31.823 -0.101 0.000 0.654 201 V HN 0.497 nan 8.190 nan 0.000 0.451 202 D N 0.083 120.489 120.400 0.009 0.000 2.084 202 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 202 D C 2.201 178.509 176.300 0.014 0.000 0.990 202 D CA 1.292 55.302 54.000 0.016 0.000 0.826 202 D CB -0.257 40.541 40.800 -0.005 0.000 0.971 202 D HN 0.326 nan 8.370 nan 0.000 0.453 203 L N 0.798 121.987 121.223 -0.056 0.000 2.012 203 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 203 L C 2.603 179.468 176.870 -0.008 0.000 1.073 203 L CA 1.286 56.062 54.840 -0.106 0.000 0.748 203 L CB -0.471 41.337 42.059 -0.418 0.000 0.891 203 L HN -0.014 nan 8.230 nan 0.000 0.431 204 A N -0.009 122.820 122.820 0.015 0.000 1.940 204 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 204 A C 2.216 179.857 177.584 0.095 0.000 1.176 204 A CA 1.626 53.722 52.037 0.098 0.000 0.631 204 A CB -0.661 18.450 19.000 0.186 0.000 0.814 204 A HN 0.405 nan 8.150 nan 0.000 0.446 205 L N -1.095 120.201 121.223 0.122 0.000 2.131 205 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 205 L C 2.371 179.280 176.870 0.065 0.000 1.087 205 L CA 0.633 55.529 54.840 0.093 0.000 0.767 205 L CB -0.368 41.759 42.059 0.113 0.000 0.917 205 L HN 0.339 nan 8.230 nan 0.000 0.441 206 L N -1.053 120.213 121.223 0.072 0.000 2.179 206 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 206 L C 0.793 177.713 176.870 0.082 0.000 1.096 206 L CA 0.089 54.970 54.840 0.069 0.000 0.779 206 L CB -0.336 41.763 42.059 0.067 0.000 0.922 206 L HN 0.147 nan 8.230 nan 0.000 0.443 207 D N 1.831 122.304 120.400 0.122 0.000 2.412 207 D HA -0.012 4.628 4.640 -0.000 0.000 0.257 207 D C -1.395 174.942 176.300 0.063 0.000 1.217 207 D CA -1.725 52.355 54.000 0.133 0.000 0.897 207 D CB 1.133 42.089 40.800 0.261 0.000 1.132 207 D HN 0.024 nan 8.370 nan 0.000 0.493 208 P HA -0.018 nan 4.420 nan 0.000 0.234 208 P C 0.955 178.251 177.300 -0.006 0.000 1.167 208 P CA 0.422 63.529 63.100 0.011 0.000 0.763 208 P CB 0.267 31.972 31.700 0.008 0.000 0.835 209 G N -0.375 108.417 108.800 -0.012 0.000 3.141 209 G HA2 0.191 4.151 3.960 -0.000 0.000 0.218 209 G HA3 0.191 4.151 3.960 -0.000 0.000 0.218 209 G C 0.175 175.057 174.900 -0.030 0.000 1.170 209 G CA 0.048 45.127 45.100 -0.035 0.000 0.769 209 G HN 0.156 nan 8.290 nan 0.000 0.546 210 V N 0.416 120.322 119.914 -0.013 0.000 2.384 210 V HA 0.388 4.508 4.120 -0.000 0.000 0.287 210 V C 0.712 176.764 176.094 -0.070 0.000 1.020 210 V CA -0.630 61.651 62.300 -0.033 0.000 0.850 210 V CB 1.580 33.402 31.823 -0.002 0.000 0.987 210 V HN 0.289 nan 8.190 nan 0.000 0.436 211 R N 2.817 123.260 120.500 -0.095 0.000 2.221 211 R HA 0.399 4.739 4.340 -0.000 0.000 0.195 211 R C -0.448 175.751 176.300 -0.168 0.000 0.956 211 R CA 0.369 56.405 56.100 -0.106 0.000 1.064 211 R CB 1.092 31.345 30.300 -0.078 0.000 1.049 211 R HN 0.512 nan 8.270 nan 0.000 0.534 212 V N -0.011 119.775 119.914 -0.213 0.000 2.888 212 V HA 0.538 4.658 4.120 -0.000 0.000 0.309 212 V C -0.237 175.586 176.094 -0.452 0.000 1.114 212 V CA -1.074 61.040 62.300 -0.311 0.000 0.940 212 V CB 1.977 33.691 31.823 -0.182 0.000 1.021 212 V HN 0.271 nan 8.190 nan 0.000 0.426 213 G N 1.956 110.254 108.800 -0.837 0.000 2.417 213 G HA2 0.726 4.686 3.960 -0.000 0.000 0.334 213 G HA3 0.726 4.686 3.960 -0.000 0.000 0.334 213 G C -1.659 173.107 174.900 -0.224 0.000 1.150 213 G CA -0.545 43.936 45.100 -1.032 0.000 0.923 213 G HN 0.665 nan 8.290 nan 0.000 0.485 214 L N 1.087 122.383 121.223 0.121 0.000 2.436 214 L HA 0.740 5.080 4.340 -0.000 0.000 0.268 214 L C -1.572 175.528 176.870 0.382 0.000 0.974 214 L CA -0.922 54.090 54.840 0.288 0.000 0.826 214 L CB 2.169 44.304 42.059 0.126 0.000 1.291 214 L HN 0.448 nan 8.230 nan 0.000 0.406 215 L N 5.467 126.919 121.223 0.382 0.000 2.319 215 L HA 0.723 5.063 4.340 -0.000 0.000 0.281 215 L C -0.831 176.163 176.870 0.205 0.000 1.005 215 L CA 0.016 55.023 54.840 0.278 0.000 0.828 215 L CB 1.090 43.359 42.059 0.350 0.000 1.227 215 L HN 0.826 nan 8.230 nan 0.000 0.415 216 R N 2.625 123.205 120.500 0.133 0.000 2.774 216 R HA 0.775 5.115 4.340 -0.000 0.000 0.272 216 R C -0.718 175.598 176.300 0.027 0.000 1.000 216 R CA -0.655 55.534 56.100 0.147 0.000 0.906 216 R CB 1.910 32.275 30.300 0.109 0.000 1.227 216 R HN 0.819 nan 8.270 nan 0.000 0.468 217 G N 0.254 109.082 108.800 0.046 0.000 2.372 217 G HA2 0.453 4.413 3.960 -0.000 0.000 0.283 217 G HA3 0.453 4.413 3.960 -0.000 0.000 0.283 217 G C -0.137 174.750 174.900 -0.022 0.000 1.177 217 G CA -0.366 44.697 45.100 -0.061 0.000 0.842 217 G HN 0.659 nan 8.290 nan 0.000 0.503 218 G N -0.358 108.424 108.800 -0.030 0.000 2.588 218 G HA2 0.417 4.377 3.960 -0.000 0.000 0.281 218 G HA3 0.417 4.377 3.960 -0.000 0.000 0.281 218 G C 0.048 174.941 174.900 -0.011 0.000 1.236 218 G CA -0.499 44.599 45.100 -0.003 0.000 0.969 218 G HN 0.693 nan 8.290 nan 0.000 0.504 219 V N 1.819 121.736 119.914 0.005 0.000 2.585 219 V HA 0.072 4.192 4.120 -0.000 0.000 0.296 219 V C 0.697 176.800 176.094 0.015 0.000 1.035 219 V CA -0.074 62.234 62.300 0.012 0.000 1.084 219 V CB 0.856 32.691 31.823 0.020 0.000 0.953 219 V HN 0.506 nan 8.190 nan 0.000 0.483 220 M N 3.702 123.321 119.600 0.030 0.000 2.267 220 M HA 0.282 4.762 4.480 -0.000 0.000 0.303 220 M C 1.067 177.416 176.300 0.082 0.000 1.164 220 M CA 0.093 55.425 55.300 0.053 0.000 1.060 220 M CB 1.241 33.886 32.600 0.075 0.000 1.455 220 M HN 0.829 nan 8.290 nan 0.000 0.483 221 S N -1.788 113.973 115.700 0.103 0.000 2.628 221 S HA 0.066 4.536 4.470 -0.000 0.000 0.246 221 S C 0.489 175.162 174.600 0.121 0.000 1.062 221 S CA -0.326 57.928 58.200 0.090 0.000 1.028 221 S CB -0.157 63.077 63.200 0.056 0.000 0.985 221 S HN 0.738 nan 8.310 nan 0.000 0.551 222 H N 5.181 124.300 119.070 0.083 0.000 3.034 222 H HA 0.127 4.683 4.556 -0.000 0.000 0.324 222 H C -1.444 173.949 175.328 0.108 0.000 1.015 222 H CA -0.258 55.849 56.048 0.099 0.000 1.429 222 H CB 1.177 31.020 29.762 0.134 0.000 1.429 222 H HN 0.105 nan 8.280 nan 0.000 0.585 223 P HA -0.255 nan 4.420 nan 0.000 0.218 223 P C 1.230 178.580 177.300 0.083 0.000 1.150 223 P CA 2.361 65.430 63.100 -0.052 0.000 0.841 223 P CB -0.063 31.539 31.700 -0.164 0.000 0.784 224 R N -1.693 118.991 120.500 0.307 0.000 2.313 224 R HA 0.015 4.355 4.340 -0.000 0.000 0.199 224 R C 1.059 177.243 176.300 -0.192 0.000 0.958 224 R CA 0.843 57.017 56.100 0.124 0.000 1.047 224 R CB -1.535 28.903 30.300 0.231 0.000 0.955 224 R HN 0.357 nan 8.270 nan 0.000 0.481 225 Y N -1.447 118.955 120.300 0.171 0.000 2.890 225 Y HA 0.292 4.842 4.550 -0.000 0.000 0.266 225 Y C 0.502 176.444 175.900 0.070 0.000 1.090 225 Y CA -1.045 57.116 58.100 0.101 0.000 1.258 225 Y CB 0.397 38.904 38.460 0.079 0.000 1.346 225 Y HN 0.208 nan 8.280 nan 0.000 0.578 226 R N 0.962 121.558 120.500 0.160 0.000 2.494 226 R HA 0.233 4.573 4.340 -0.000 0.000 0.291 226 R C 1.357 177.701 176.300 0.074 0.000 0.953 226 R CA 1.879 58.040 56.100 0.102 0.000 1.098 226 R CB -0.124 30.210 30.300 0.057 0.000 0.911 226 R HN 0.607 nan 8.270 nan 0.000 0.407 227 G N 3.017 111.856 108.800 0.065 0.000 2.199 227 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 227 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 227 G C -0.300 174.632 174.900 0.052 0.000 0.982 227 G CA 0.490 45.618 45.100 0.047 0.000 0.632 227 G HN 0.566 nan 8.290 nan 0.000 0.529 228 K N 0.334 120.781 120.400 0.078 0.000 2.259 228 K HA 0.598 4.918 4.320 -0.000 0.000 0.252 228 K C 0.349 176.979 176.600 0.049 0.000 0.936 228 K CA -0.948 55.384 56.287 0.074 0.000 0.810 228 K CB 1.734 34.301 32.500 0.112 0.000 1.143 228 K HN 0.173 nan 8.250 nan 0.000 0.427 229 R N 0.807 121.313 120.500 0.010 0.000 2.582 229 R HA 0.401 4.741 4.340 -0.000 0.000 0.271 229 R C -0.539 175.688 176.300 -0.121 0.000 1.078 229 R CA -0.453 55.626 56.100 -0.035 0.000 1.127 229 R CB 0.820 31.109 30.300 -0.018 0.000 1.038 229 R HN 0.224 nan 8.270 nan 0.000 0.500 230 V N 3.104 122.907 119.914 -0.185 0.000 2.777 230 V HA 0.097 4.217 4.120 -0.000 0.000 0.306 230 V C -0.130 175.830 176.094 -0.224 0.000 1.112 230 V CA -0.633 61.443 62.300 -0.373 0.000 0.917 230 V CB 1.637 33.107 31.823 -0.589 0.000 1.018 230 V HN 0.738 nan 8.190 nan 0.000 0.426 231 F N 2.836 122.576 119.950 -0.351 0.000 2.022 231 F HA 0.213 4.740 4.527 0.000 0.000 0.293 231 F C 1.241 176.955 175.800 -0.144 0.000 1.142 231 F CA 2.049 59.928 58.000 -0.201 0.000 1.177 231 F CB 0.416 39.317 39.000 -0.164 0.000 0.982 231 F HN 0.575 nan 8.300 nan 0.000 0.473 232 S N -1.911 113.798 115.700 0.015 0.000 2.556 232 S HA 0.583 5.053 4.470 -0.000 0.000 0.280 232 S C -0.575 174.121 174.600 0.159 0.000 1.141 232 S CA -0.316 57.878 58.200 -0.009 0.000 0.883 232 S CB 1.021 64.184 63.200 -0.061 0.000 1.103 232 S HN 0.497 nan 8.310 nan 0.000 0.453 233 A N 2.636 125.515 122.820 0.098 0.000 2.545 233 A HA 0.725 5.045 4.320 -0.000 0.000 0.277 233 A C 1.326 178.899 177.584 -0.018 0.000 1.301 233 A CA 0.547 52.637 52.037 0.088 0.000 0.935 233 A CB -1.121 17.919 19.000 0.067 0.000 1.093 233 A HN 2.360 nan 8.150 nan 0.000 0.519 234 G N -0.085 108.721 108.800 0.010 0.000 2.645 234 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.239 234 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.239 234 G C 0.167 175.054 174.900 -0.021 0.000 1.331 234 G CA -0.157 44.945 45.100 0.003 0.000 0.890 234 G HN 0.955 nan 8.290 nan 0.000 0.572 235 I N 1.011 121.572 120.570 -0.014 0.000 2.872 235 I HA 0.027 4.197 4.170 -0.000 0.000 0.291 235 I C 0.929 176.939 176.117 -0.177 0.000 1.216 235 I CA -0.283 60.980 61.300 -0.061 0.000 1.424 235 I CB 0.340 38.302 38.000 -0.064 0.000 1.351 235 I HN 0.621 nan 8.210 nan 0.000 0.592 236 N N 7.067 125.627 118.700 -0.233 0.000 2.400 236 N HA 0.042 4.782 4.740 -0.000 0.000 0.267 236 N C 0.762 176.147 175.510 -0.208 0.000 1.208 236 N CA 0.161 53.038 53.050 -0.288 0.000 0.951 236 N CB 0.616 38.789 38.487 -0.523 0.000 1.227 236 N HN 0.602 nan 8.380 nan 0.000 0.488 237 L N 3.598 124.678 121.223 -0.238 0.000 2.083 237 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 237 L C 2.213 179.095 176.870 0.020 0.000 1.083 237 L CA 1.252 55.982 54.840 -0.182 0.000 0.752 237 L CB -0.184 41.603 42.059 -0.454 0.000 0.899 237 L HN 0.485 nan 8.230 nan 0.000 0.433 238 K N -0.781 119.694 120.400 0.125 0.000 2.009 238 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 238 K C 2.194 178.941 176.600 0.245 0.000 1.049 238 K CA 1.538 57.952 56.287 0.210 0.000 0.929 238 K CB -0.376 32.268 32.500 0.241 0.000 0.714 238 K HN 0.091 nan 8.250 nan 0.000 0.440 239 Y N 1.002 121.291 120.300 -0.019 0.000 2.207 239 Y HA -0.198 4.352 4.550 -0.000 0.000 0.287 239 Y C 2.199 178.050 175.900 -0.082 0.000 1.156 239 Y CA 0.522 58.589 58.100 -0.055 0.000 1.182 239 Y CB -0.769 37.635 38.460 -0.093 0.000 0.979 239 Y HN 0.041 nan 8.280 nan 0.000 0.521 240 L N -0.775 120.485 121.223 0.062 0.000 2.017 240 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 240 L C 2.625 179.486 176.870 -0.016 0.000 1.073 240 L CA 2.112 56.930 54.840 -0.037 0.000 0.745 240 L CB -1.250 40.755 42.059 -0.090 0.000 0.894 240 L HN 0.150 nan 8.230 nan 0.000 0.432 241 S N -1.039 114.674 115.700 0.022 0.000 2.382 241 S HA -0.233 4.237 4.470 -0.000 0.000 0.228 241 S C 1.788 176.408 174.600 0.033 0.000 1.027 241 S CA 1.377 59.596 58.200 0.032 0.000 0.991 241 S CB -0.249 62.989 63.200 0.063 0.000 0.823 241 S HN 0.681 nan 8.310 nan 0.000 0.469 242 Q N -0.219 119.605 119.800 0.040 0.000 2.466 242 Q HA 0.220 4.560 4.340 -0.000 0.000 0.210 242 Q C 1.191 177.188 176.000 -0.004 0.000 0.961 242 Q CA 0.337 56.151 55.803 0.019 0.000 0.953 242 Q CB -0.109 28.636 28.738 0.011 0.000 1.011 242 Q HN 0.695 nan 8.270 nan 0.000 0.516 243 G N 0.189 108.988 108.800 -0.003 0.000 2.160 243 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.251 243 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.251 243 G C 0.446 175.332 174.900 -0.022 0.000 1.008 243 G CA 0.081 45.179 45.100 -0.003 0.000 0.724 243 G HN 0.527 nan 8.290 nan 0.000 0.514 244 G N -0.634 108.137 108.800 -0.049 0.000 3.523 244 G HA2 0.482 4.442 3.960 -0.000 0.000 0.270 244 G HA3 0.482 4.442 3.960 -0.000 0.000 0.270 244 G C 0.259 175.122 174.900 -0.063 0.000 1.134 244 G CA -0.216 44.839 45.100 -0.075 0.000 0.825 244 G HN 0.412 nan 8.290 nan 0.000 0.534 245 I N 1.849 122.371 120.570 -0.080 0.000 2.405 245 I HA 0.215 4.385 4.170 -0.000 0.000 0.280 245 I C 0.268 176.364 176.117 -0.034 0.000 1.027 245 I CA -0.767 60.445 61.300 -0.147 0.000 1.161 245 I CB 0.949 38.795 38.000 -0.256 0.000 1.300 245 I HN 0.029 nan 8.210 nan 0.000 0.463 246 S N 5.250 120.989 115.700 0.066 0.000 2.510 246 S HA 0.097 4.567 4.470 -0.000 0.000 0.279 246 S C 1.196 175.895 174.600 0.164 0.000 1.284 246 S CA -0.443 57.829 58.200 0.119 0.000 1.059 246 S CB 0.573 63.858 63.200 0.143 0.000 0.901 246 S HN 0.542 nan 8.310 nan 0.000 0.491 247 L N 7.076 128.369 121.223 0.116 0.000 2.012 247 L HA -0.049 4.290 4.340 -0.000 0.000 0.210 247 L C 1.949 178.908 176.870 0.148 0.000 1.073 247 L CA 2.035 56.942 54.840 0.112 0.000 0.748 247 L CB -0.630 41.480 42.059 0.086 0.000 0.891 247 L HN 0.658 nan 8.230 nan 0.000 0.431 248 V N -0.330 119.670 119.914 0.143 0.000 2.273 248 V HA -0.165 3.955 4.120 -0.000 0.000 0.242 248 V C 1.799 177.976 176.094 0.139 0.000 1.035 248 V CA 1.831 64.214 62.300 0.138 0.000 1.013 248 V CB -0.793 31.110 31.823 0.133 0.000 0.652 248 V HN 0.403 nan 8.190 nan 0.000 0.452 249 D N -1.345 119.145 120.400 0.151 0.000 2.363 249 D HA 0.013 4.653 4.640 -0.000 0.000 0.226 249 D C 1.144 177.562 176.300 0.195 0.000 1.020 249 D CA 0.709 54.798 54.000 0.149 0.000 0.892 249 D CB 0.290 41.173 40.800 0.139 0.000 0.900 249 D HN 0.500 nan 8.370 nan 0.000 0.531 250 F N -0.365 119.635 119.950 0.083 0.000 2.102 250 F HA 0.194 4.721 4.527 -0.000 0.000 0.245 250 F C 1.699 177.557 175.800 0.097 0.000 1.049 250 F CA -0.151 57.902 58.000 0.088 0.000 1.227 250 F CB -0.285 38.761 39.000 0.076 0.000 1.527 250 F HN -0.280 nan 8.300 nan 0.000 0.624 251 L N 0.544 121.963 121.223 0.327 0.000 2.012 251 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 251 L C 2.294 179.268 176.870 0.173 0.000 1.073 251 L CA 1.305 56.305 54.840 0.267 0.000 0.748 251 L CB -0.604 41.657 42.059 0.337 0.000 0.891 251 L HN 0.334 nan 8.230 nan 0.000 0.431 252 M N -1.111 118.587 119.600 0.163 0.000 2.248 252 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 252 M C 2.328 178.645 176.300 0.029 0.000 1.079 252 M CA 1.254 56.629 55.300 0.124 0.000 1.150 252 M CB -1.039 31.639 32.600 0.130 0.000 1.366 252 M HN 0.185 nan 8.290 nan 0.000 0.433 253 R N 1.315 121.829 120.500 0.023 0.000 2.094 253 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 253 R C 2.430 178.699 176.300 -0.050 0.000 1.137 253 R CA 2.292 58.395 56.100 0.005 0.000 0.943 253 R CB -0.296 30.020 30.300 0.026 0.000 0.850 253 R HN 0.423 nan 8.270 nan 0.000 0.433 254 R N -0.043 120.369 120.500 -0.145 0.000 2.096 254 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 254 R C 1.519 177.616 176.300 -0.339 0.000 1.127 254 R CA 1.590 57.549 56.100 -0.236 0.000 0.968 254 R CB -0.389 29.708 30.300 -0.339 0.000 0.861 254 R HN 0.243 nan 8.270 nan 0.000 0.440 255 E N 1.264 121.329 120.200 -0.224 0.000 2.107 255 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 255 E C 2.166 178.732 176.600 -0.056 0.000 0.982 255 E CA 1.006 57.297 56.400 -0.182 0.000 0.809 255 E CB -0.058 29.522 29.700 -0.199 0.000 0.756 255 E HN 0.476 nan 8.360 nan 0.000 0.459 256 L N -0.475 120.732 121.223 -0.028 0.000 2.477 256 L HA 0.177 4.516 4.340 -0.000 0.000 0.220 256 L C 1.829 178.734 176.870 0.059 0.000 1.106 256 L CA 0.419 55.285 54.840 0.043 0.000 0.851 256 L CB -0.176 41.903 42.059 0.034 0.000 0.994 256 L HN 0.054 nan 8.230 nan 0.000 0.462 257 G N 0.145 108.945 108.800 -0.001 0.000 2.964 257 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.191 257 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.191 257 G C 1.127 176.025 174.900 -0.003 0.000 1.978 257 G CA 0.510 45.623 45.100 0.022 0.000 0.861 257 G HN 0.277 nan 8.290 nan 0.000 0.584 258 Y N 0.635 120.876 120.300 -0.098 0.000 2.256 258 Y HA -0.002 4.548 4.550 -0.000 0.000 0.288 258 Y C 2.336 178.109 175.900 -0.211 0.000 1.155 258 Y CA 1.533 59.537 58.100 -0.161 0.000 1.203 258 Y CB -0.397 37.958 38.460 -0.176 0.000 0.980 258 Y HN 0.144 nan 8.280 nan 0.000 0.530 259 I N 0.242 120.372 120.570 -0.733 0.000 2.353 259 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 259 I C 2.688 178.614 176.117 -0.319 0.000 1.119 259 I CA 1.651 62.585 61.300 -0.609 0.000 1.417 259 I CB -0.672 36.958 38.000 -0.617 0.000 1.078 259 I HN 0.419 nan 8.210 nan 0.000 0.421 260 H N 1.545 120.406 119.070 -0.349 0.000 2.423 260 H HA -0.090 4.465 4.556 -0.000 0.000 0.297 260 H C 1.986 177.141 175.328 -0.288 0.000 1.075 260 H CA 0.985 56.821 56.048 -0.354 0.000 1.342 260 H CB 0.367 29.966 29.762 -0.272 0.000 1.395 260 H HN 0.233 nan 8.280 nan 0.000 0.530 261 K N 0.327 120.614 120.400 -0.188 0.000 2.217 261 K HA -0.061 4.258 4.320 -0.000 0.000 0.202 261 K C 2.166 178.627 176.600 -0.232 0.000 1.051 261 K CA 0.481 56.651 56.287 -0.195 0.000 0.952 261 K CB 0.185 32.627 32.500 -0.098 0.000 0.736 261 K HN 0.284 nan 8.250 nan 0.000 0.453 262 L N 0.389 121.401 121.223 -0.353 0.000 2.201 262 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 262 L C 2.112 178.794 176.870 -0.314 0.000 1.105 262 L CA 0.745 55.266 54.840 -0.532 0.000 0.775 262 L CB -0.256 41.327 42.059 -0.793 0.000 0.913 262 L HN -0.005 nan 8.230 nan 0.000 0.440 263 V N -0.438 119.296 119.914 -0.299 0.000 2.326 263 V HA -0.118 4.002 4.120 -0.000 0.000 0.238 263 V C 2.192 178.140 176.094 -0.243 0.000 1.038 263 V CA 1.435 63.582 62.300 -0.254 0.000 1.032 263 V CB -0.315 31.334 31.823 -0.291 0.000 0.675 263 V HN 0.361 nan 8.190 nan 0.000 0.467 264 R N -0.034 120.253 120.500 -0.356 0.000 2.300 264 R HA 0.392 4.732 4.340 -0.000 0.000 0.199 264 R C 1.024 177.194 176.300 -0.218 0.000 0.920 264 R CA 0.627 56.532 56.100 -0.324 0.000 1.046 264 R CB 0.296 30.289 30.300 -0.511 0.000 0.984 264 R HN 0.582 nan 8.270 nan 0.000 0.493 265 G N 0.928 109.630 108.800 -0.164 0.000 2.681 265 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 265 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 265 G C -0.325 174.524 174.900 -0.086 0.000 1.353 265 G CA -0.406 44.647 45.100 -0.078 0.000 0.872 265 G HN 0.197 nan 8.290 nan 0.000 0.557 266 V N -2.375 117.515 119.914 -0.039 0.000 2.472 266 V HA 0.778 4.898 4.120 -0.000 0.000 0.290 266 V C 0.466 176.544 176.094 -0.027 0.000 1.037 266 V CA -0.865 61.417 62.300 -0.030 0.000 0.908 266 V CB 1.575 33.402 31.823 0.006 0.000 0.985 266 V HN 1.525 nan 8.190 nan 0.000 0.454 267 L N 5.693 126.897 121.223 -0.031 0.000 2.283 267 L HA 0.614 4.954 4.340 -0.000 0.000 0.287 267 L C 0.706 177.620 176.870 0.073 0.000 1.073 267 L CA 0.802 55.640 54.840 -0.003 0.000 0.822 267 L CB 0.793 42.828 42.059 -0.040 0.000 1.186 267 L HN 1.143 nan 8.230 nan 0.000 0.436 268 T N 1.615 116.267 114.554 0.164 0.000 2.880 268 T HA 0.484 4.834 4.350 -0.000 0.000 0.279 268 T C 0.323 175.224 174.700 0.336 0.000 0.990 268 T CA -0.890 61.337 62.100 0.211 0.000 0.938 268 T CB 0.704 69.693 68.868 0.202 0.000 1.206 268 T HN 0.533 nan 8.240 nan 0.000 0.573 269 N N 0.980 119.769 118.700 0.148 0.000 2.476 269 N HA 0.178 4.918 4.740 -0.000 0.000 0.275 269 N C -0.513 174.716 175.510 -0.468 0.000 1.190 269 N CA -0.510 52.515 53.050 -0.041 0.000 0.977 269 N CB 0.814 39.258 38.487 -0.072 0.000 1.200 269 N HN 0.725 nan 8.380 nan 0.000 0.515 270 D N 0.953 120.739 120.400 -1.022 0.000 2.598 270 D HA -0.039 4.601 4.640 -0.000 0.000 0.231 270 D C -0.085 175.826 176.300 -0.649 0.000 1.127 270 D CA 0.188 53.241 54.000 -1.579 0.000 1.126 270 D CB -0.310 39.667 40.800 -1.372 0.000 1.124 270 D HN 0.490 nan 8.370 nan 0.000 0.485 271 D N 0.555 120.713 120.400 -0.403 0.000 3.013 271 D HA 0.039 4.679 4.640 -0.000 0.000 0.256 271 D C 0.590 176.858 176.300 -0.054 0.000 1.573 271 D CA -0.270 53.635 54.000 -0.159 0.000 1.197 271 D CB -0.413 40.335 40.800 -0.086 0.000 1.041 271 D HN 0.257 nan 8.370 nan 0.000 0.304 272 R N 1.697 122.204 120.500 0.012 0.000 2.802 272 R HA 0.169 4.509 4.340 -0.000 0.000 0.264 272 R C -2.059 174.291 176.300 0.083 0.000 0.996 272 R CA -0.749 55.382 56.100 0.051 0.000 1.123 272 R CB -1.041 29.299 30.300 0.066 0.000 0.996 272 R HN 0.155 nan 8.270 nan 0.000 0.444 273 P HA 0.112 nan 4.420 nan 0.000 0.276 273 P C 0.256 177.577 177.300 0.036 0.000 1.252 273 P CA 0.351 63.523 63.100 0.119 0.000 0.802 273 P CB 0.889 32.661 31.700 0.121 0.000 1.035 274 G N 0.271 109.063 108.800 -0.013 0.000 2.162 274 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 274 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 274 G C 0.650 174.908 174.900 -1.069 0.000 0.976 274 G CA 0.360 45.013 45.100 -0.745 0.000 0.655 274 G HN 0.587 nan 8.290 nan 0.000 0.533 275 W N 1.352 122.350 121.300 -0.503 0.000 2.402 275 W HA 0.052 4.712 4.660 -0.000 0.000 0.286 275 W C 2.379 178.718 176.519 -0.299 0.000 1.221 275 W CA 2.132 59.283 57.345 -0.322 0.000 1.257 275 W CB -0.225 29.180 29.460 -0.091 0.000 1.120 275 W HN 0.538 nan 8.180 nan 0.000 0.551 276 W N 0.584 121.921 121.300 0.061 0.000 2.468 276 W HA -0.125 4.535 4.660 -0.000 0.000 0.262 276 W C 1.093 177.553 176.519 -0.099 0.000 1.241 276 W CA 1.392 58.751 57.345 0.023 0.000 1.232 276 W CB -1.691 27.840 29.460 0.118 0.000 1.124 276 W HN 0.361 nan 8.180 nan 0.000 0.597 277 H N -1.197 117.389 119.070 -0.807 0.000 2.874 277 H HA 0.395 4.951 4.556 -0.000 0.000 0.264 277 H C -0.167 174.870 175.328 -0.486 0.000 1.007 277 H CA 0.075 55.711 56.048 -0.685 0.000 1.207 277 H CB -0.298 28.775 29.762 -1.149 0.000 1.487 277 H HN -0.118 nan 8.280 nan 0.000 0.505 278 S N 2.425 117.801 115.700 -0.541 0.000 2.386 278 S HA 0.176 4.646 4.470 -0.000 0.000 0.152 278 S C -2.252 172.033 174.600 -0.525 0.000 1.511 278 S CA -0.759 57.230 58.200 -0.352 0.000 1.246 278 S CB 1.634 64.741 63.200 -0.155 0.000 1.338 278 S HN 0.262 nan 8.310 nan 0.000 0.409 279 P HA -0.046 nan 4.420 nan 0.000 0.230 279 P C 0.045 177.101 177.300 -0.406 0.000 1.158 279 P CA 0.541 63.031 63.100 -1.016 0.000 0.769 279 P CB 0.388 31.460 31.700 -1.047 0.000 0.807 280 R N -0.346 119.996 120.500 -0.264 0.000 2.803 280 R HA 0.643 4.983 4.340 -0.000 0.000 0.276 280 R C -0.173 176.071 176.300 -0.095 0.000 0.978 280 R CA -1.023 54.997 56.100 -0.134 0.000 0.939 280 R CB 1.897 32.114 30.300 -0.139 0.000 1.179 280 R HN -0.050 nan 8.270 nan 0.000 0.472 281 I N 2.532 123.075 120.570 -0.045 0.000 2.330 281 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 281 I C 0.102 176.210 176.117 -0.016 0.000 1.001 281 I CA -0.249 61.036 61.300 -0.024 0.000 1.193 281 I CB 1.256 39.261 38.000 0.007 0.000 1.345 281 I HN 0.641 nan 8.210 nan 0.000 0.461 282 E N 6.892 127.078 120.200 -0.024 0.000 2.320 282 E HA 0.778 5.128 4.350 -0.000 0.000 0.264 282 E C -1.422 175.176 176.600 -0.004 0.000 0.923 282 E CA -1.133 55.267 56.400 -0.001 0.000 0.796 282 E CB 2.645 32.324 29.700 -0.035 0.000 1.262 282 E HN 0.381 nan 8.360 nan 0.000 0.428 283 K N 0.444 120.856 120.400 0.020 0.000 2.568 283 K HA 0.384 4.704 4.320 -0.000 0.000 0.273 283 K C -2.805 173.740 176.600 -0.092 0.000 0.951 283 K CA -2.114 54.125 56.287 -0.079 0.000 0.854 283 K CB 2.324 34.716 32.500 -0.180 0.000 1.424 283 K HN 0.454 nan 8.250 nan 0.000 0.427 284 P HA 0.123 nan 4.420 nan 0.000 0.275 284 P C -1.289 175.878 177.300 -0.221 0.000 1.228 284 P CA -0.146 62.910 63.100 -0.072 0.000 0.786 284 P CB 0.458 32.125 31.700 -0.055 0.000 0.927 285 W N 0.958 122.254 121.300 -0.008 0.000 2.785 285 W HA 0.441 5.101 4.660 -0.000 0.000 0.333 285 W C -0.963 175.790 176.519 0.390 0.000 1.062 285 W CA -0.424 56.978 57.345 0.095 0.000 1.233 285 W CB 1.950 31.273 29.460 -0.228 0.000 1.413 285 W HN 0.024 nan 8.180 nan 0.000 0.489 286 V N 2.848 123.143 119.914 0.636 0.000 2.555 286 V HA 0.869 4.989 4.120 -0.000 0.000 0.302 286 V C -0.217 176.007 176.094 0.216 0.000 1.038 286 V CA -1.087 61.461 62.300 0.414 0.000 0.887 286 V CB 1.300 33.228 31.823 0.175 0.000 0.991 286 V HN 0.617 nan 8.190 nan 0.000 0.434 287 A N 3.280 125.966 122.820 -0.223 0.000 2.343 287 A HA 0.934 5.254 4.320 -0.000 0.000 0.316 287 A C -0.271 177.152 177.584 -0.268 0.000 1.104 287 A CA -0.425 51.293 52.037 -0.532 0.000 0.768 287 A CB 1.562 19.770 19.000 -1.320 0.000 1.213 287 A HN 1.365 nan 8.150 nan 0.000 0.456 288 A N 2.077 124.813 122.820 -0.138 0.000 2.291 288 A HA 0.619 4.939 4.320 -0.000 0.000 0.311 288 A C -0.727 176.779 177.584 -0.129 0.000 1.224 288 A CA -0.407 51.575 52.037 -0.091 0.000 0.821 288 A CB 0.742 19.742 19.000 -0.000 0.000 1.172 288 A HN 1.076 nan 8.150 nan 0.000 0.494 289 V N 4.037 123.821 119.914 -0.218 0.000 2.333 289 V HA 0.243 4.363 4.120 -0.000 0.000 0.274 289 V C -0.487 175.542 176.094 -0.109 0.000 1.028 289 V CA -0.538 61.595 62.300 -0.278 0.000 0.851 289 V CB 0.940 32.584 31.823 -0.298 0.000 1.000 289 V HN 0.826 nan 8.190 nan 0.000 0.456 290 D N 3.816 124.181 120.400 -0.058 0.000 2.168 290 D HA 0.508 5.148 4.640 -0.000 0.000 0.246 290 D C 1.070 177.232 176.300 -0.229 0.000 1.050 290 D CA 0.831 54.778 54.000 -0.088 0.000 0.857 290 D CB 2.167 42.940 40.800 -0.046 0.000 1.169 290 D HN 0.680 nan 8.370 nan 0.000 0.453 291 G N 2.764 111.428 108.800 -0.226 0.000 5.266 291 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.262 291 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.262 291 G C 0.161 174.763 174.900 -0.497 0.000 1.359 291 G CA 1.088 45.964 45.100 -0.372 0.000 0.955 291 G HN 0.716 nan 8.290 nan 0.000 0.754 292 F N -2.482 117.219 119.950 -0.414 0.000 2.799 292 F HA 0.713 5.240 4.527 -0.000 0.000 0.316 292 F C -0.541 175.024 175.800 -0.392 0.000 1.155 292 F CA -0.794 56.749 58.000 -0.761 0.000 0.916 292 F CB 0.915 39.045 39.000 -1.450 0.000 1.294 292 F HN 1.195 nan 8.300 nan 0.000 0.447 293 A N 2.608 125.380 122.820 -0.080 0.000 2.340 293 A HA 0.841 5.161 4.320 -0.000 0.000 0.297 293 A C -1.287 176.358 177.584 0.102 0.000 1.195 293 A CA -0.565 51.566 52.037 0.156 0.000 0.769 293 A CB 0.568 19.629 19.000 0.103 0.000 1.163 293 A HN 0.731 nan 8.150 nan 0.000 0.472 294 I N 2.288 122.938 120.570 0.132 0.000 2.569 294 I HA 0.601 4.771 4.170 -0.000 0.000 0.296 294 I C 1.215 177.364 176.117 0.054 0.000 1.028 294 I CA 0.054 61.379 61.300 0.040 0.000 1.082 294 I CB 2.023 39.991 38.000 -0.054 0.000 1.264 294 I HN 1.011 nan 8.210 nan 0.000 0.429 295 G N 3.966 112.785 108.800 0.032 0.000 2.660 295 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.321 295 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.321 295 G C 1.037 175.973 174.900 0.060 0.000 1.246 295 G CA 0.578 45.698 45.100 0.034 0.000 1.000 295 G HN 0.988 nan 8.290 nan 0.000 0.550 296 G N 0.363 109.207 108.800 0.073 0.000 2.469 296 G HA2 0.115 4.074 3.960 -0.000 0.000 0.220 296 G HA3 0.115 4.074 3.960 -0.000 0.000 0.220 296 G C 1.885 176.848 174.900 0.106 0.000 1.136 296 G CA 2.194 47.346 45.100 0.087 0.000 0.759 296 G HN 1.777 nan 8.290 nan 0.000 0.562 297 G N 0.879 109.760 108.800 0.135 0.000 2.402 297 G HA2 0.091 4.051 3.960 -0.000 0.000 0.216 297 G HA3 0.091 4.051 3.960 -0.000 0.000 0.216 297 G C 2.026 177.105 174.900 0.298 0.000 1.162 297 G CA 1.412 46.665 45.100 0.255 0.000 0.777 297 G HN 0.647 nan 8.290 nan 0.000 0.539 298 A N 0.325 123.246 122.820 0.168 0.000 1.969 298 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 298 A C 2.303 179.899 177.584 0.020 0.000 1.169 298 A CA 1.735 53.828 52.037 0.095 0.000 0.635 298 A CB -0.344 18.705 19.000 0.082 0.000 0.810 298 A HN 0.446 nan 8.150 nan 0.000 0.445 299 Q N -0.984 118.830 119.800 0.022 0.000 2.124 299 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 299 Q C 1.878 177.857 176.000 -0.035 0.000 0.977 299 Q CA 1.235 57.016 55.803 -0.036 0.000 0.850 299 Q CB -0.306 28.415 28.738 -0.028 0.000 0.901 299 Q HN 0.497 nan 8.270 nan 0.000 0.429 300 L N 0.485 121.745 121.223 0.062 0.000 2.079 300 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 300 L C 1.956 178.956 176.870 0.216 0.000 1.081 300 L CA 1.549 56.481 54.840 0.153 0.000 0.752 300 L CB -0.480 41.763 42.059 0.307 0.000 0.896 300 L HN 0.261 nan 8.230 nan 0.000 0.433 301 L N -1.304 119.967 121.223 0.080 0.000 2.191 301 L HA -0.211 4.128 4.340 -0.000 0.000 0.212 301 L C 1.910 178.741 176.870 -0.065 0.000 1.103 301 L CA 0.692 55.526 54.840 -0.010 0.000 0.769 301 L CB -0.560 41.379 42.059 -0.201 0.000 0.908 301 L HN 0.254 nan 8.230 nan 0.000 0.438 302 L N -0.530 120.552 121.223 -0.235 0.000 2.711 302 L HA -0.049 4.291 4.340 -0.000 0.000 0.242 302 L C 1.298 178.111 176.870 -0.095 0.000 1.153 302 L CA 0.111 54.644 54.840 -0.512 0.000 0.898 302 L CB -0.269 41.442 42.059 -0.580 0.000 1.044 302 L HN 0.146 nan 8.230 nan 0.000 0.437 303 V N -2.539 117.394 119.914 0.031 0.000 3.451 303 V HA 0.153 4.273 4.120 -0.000 0.000 0.288 303 V C 0.511 176.576 176.094 -0.048 0.000 1.502 303 V CA -0.208 62.081 62.300 -0.020 0.000 1.026 303 V CB 0.094 31.825 31.823 -0.153 0.000 0.840 303 V HN 0.036 nan 8.190 nan 0.000 0.437 304 F N 1.408 121.382 119.950 0.040 0.000 2.371 304 F HA 0.325 4.852 4.527 -0.000 0.000 0.329 304 F C 1.562 177.425 175.800 0.104 0.000 1.107 304 F CA -0.074 57.980 58.000 0.090 0.000 1.137 304 F CB 0.832 39.882 39.000 0.084 0.000 1.214 304 F HN -0.003 nan 8.300 nan 0.000 0.536 305 D N 0.434 120.997 120.400 0.271 0.000 2.289 305 D HA -0.031 4.609 4.640 -0.000 0.000 0.207 305 D C 0.594 176.992 176.300 0.163 0.000 0.966 305 D CA 1.040 55.142 54.000 0.169 0.000 0.868 305 D CB 0.318 41.193 40.800 0.124 0.000 0.943 305 D HN 0.177 nan 8.370 nan 0.000 0.514 306 R N -0.020 120.612 120.500 0.220 0.000 2.626 306 R HA 0.396 4.736 4.340 -0.000 0.000 0.274 306 R C -2.058 174.303 176.300 0.102 0.000 1.031 306 R CA -0.529 55.649 56.100 0.131 0.000 0.898 306 R CB 1.888 32.246 30.300 0.097 0.000 1.222 306 R HN -0.291 nan 8.270 nan 0.000 0.455 307 V N 5.551 125.477 119.914 0.021 0.000 2.524 307 V HA 0.501 4.621 4.120 -0.000 0.000 0.297 307 V C -0.909 175.140 176.094 -0.075 0.000 1.035 307 V CA -0.851 61.405 62.300 -0.074 0.000 0.867 307 V CB 1.702 33.451 31.823 -0.123 0.000 1.004 307 V HN 0.497 nan 8.190 nan 0.000 0.426 308 L N 3.549 124.723 121.223 -0.083 0.000 2.334 308 L HA 0.982 5.322 4.340 -0.000 0.000 0.272 308 L C 0.226 177.068 176.870 -0.046 0.000 1.020 308 L CA -0.364 54.450 54.840 -0.044 0.000 0.812 308 L CB 1.684 43.730 42.059 -0.022 0.000 1.264 308 L HN 0.812 nan 8.230 nan 0.000 0.439 309 A N 0.968 123.797 122.820 0.016 0.000 2.572 309 A HA 0.604 4.924 4.320 -0.000 0.000 0.295 309 A C -0.587 177.039 177.584 0.070 0.000 1.072 309 A CA -0.426 51.653 52.037 0.071 0.000 0.691 309 A CB 1.803 20.954 19.000 0.251 0.000 1.291 309 A HN 0.593 nan 8.150 nan 0.000 0.404 310 S N 0.175 115.905 115.700 0.049 0.000 2.580 310 S HA 0.324 4.794 4.470 -0.000 0.000 0.274 310 S C 1.340 175.991 174.600 0.084 0.000 1.329 310 S CA 0.175 58.404 58.200 0.049 0.000 1.036 310 S CB 0.676 63.892 63.200 0.025 0.000 0.919 310 S HN 0.788 nan 8.310 nan 0.000 0.515 311 S N 2.054 117.805 115.700 0.086 0.000 2.419 311 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 311 S C 1.284 175.970 174.600 0.144 0.000 1.019 311 S CA 1.473 59.737 58.200 0.108 0.000 0.982 311 S CB -0.311 62.936 63.200 0.079 0.000 0.789 311 S HN 0.909 nan 8.310 nan 0.000 0.490 312 D N 0.751 121.233 120.400 0.138 0.000 2.342 312 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 312 D C 0.424 176.889 176.300 0.274 0.000 1.101 312 D CA -0.043 54.081 54.000 0.207 0.000 0.837 312 D CB -0.054 40.844 40.800 0.163 0.000 0.938 312 D HN 0.280 nan 8.370 nan 0.000 0.508 313 A N 0.330 123.230 122.820 0.133 0.000 2.252 313 A HA 0.610 4.930 4.320 -0.000 0.000 0.305 313 A C -0.719 176.715 177.584 -0.249 0.000 1.097 313 A CA -0.695 51.288 52.037 -0.090 0.000 0.849 313 A CB 0.523 19.370 19.000 -0.256 0.000 1.142 313 A HN 0.356 nan 8.150 nan 0.000 0.499 314 Y N -2.704 117.153 120.300 -0.739 0.000 2.644 314 Y HA 0.823 5.373 4.550 -0.000 0.000 0.338 314 Y C -1.456 173.628 175.900 -1.361 0.000 1.119 314 Y CA -2.033 55.406 58.100 -1.102 0.000 1.060 314 Y CB 1.056 38.804 38.460 -1.185 0.000 1.294 314 Y HN 0.449 nan 8.280 nan 0.000 0.472 315 F N 1.134 121.065 119.950 -0.032 0.000 2.556 315 F HA 0.785 5.312 4.527 -0.000 0.000 0.314 315 F C -0.266 175.527 175.800 -0.012 0.000 1.106 315 F CA -0.653 57.308 58.000 -0.065 0.000 0.911 315 F CB 2.464 41.412 39.000 -0.087 0.000 1.190 315 F HN 0.790 nan 8.300 nan 0.000 0.448 316 S N 2.185 117.954 115.700 0.115 0.000 2.552 316 S HA 0.715 5.185 4.470 -0.000 0.000 0.272 316 S C -1.877 172.742 174.600 0.031 0.000 1.150 316 S CA -0.944 57.291 58.200 0.059 0.000 0.849 316 S CB 1.357 64.572 63.200 0.025 0.000 1.113 316 S HN 0.689 nan 8.310 nan 0.000 0.458 317 L N 2.783 124.014 121.223 0.015 0.000 2.502 317 L HA 0.421 4.761 4.340 -0.000 0.000 0.247 317 L C -1.479 175.388 176.870 -0.006 0.000 1.180 317 L CA -1.889 52.955 54.840 0.007 0.000 0.956 317 L CB 1.539 43.605 42.059 0.012 0.000 1.282 317 L HN 0.638 nan 8.230 nan 0.000 0.470 318 P HA -0.176 nan 4.420 nan 0.000 0.218 318 P C 0.802 178.085 177.300 -0.029 0.000 1.148 318 P CA 0.751 63.829 63.100 -0.035 0.000 0.822 318 P CB 0.403 32.068 31.700 -0.057 0.000 0.784 319 A N -0.129 122.675 122.820 -0.027 0.000 3.074 319 A HA 0.467 4.787 4.320 -0.000 0.000 0.251 319 A C 1.839 179.418 177.584 -0.008 0.000 1.695 319 A CA 0.333 52.356 52.037 -0.022 0.000 1.343 319 A CB -1.069 17.913 19.000 -0.031 0.000 1.078 319 A HN 0.210 nan 8.150 nan 0.000 0.644 320 A N 0.201 123.018 122.820 -0.005 0.000 2.015 320 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 320 A C 2.008 179.595 177.584 0.004 0.000 1.163 320 A CA 1.792 53.831 52.037 0.003 0.000 0.646 320 A CB -0.074 18.928 19.000 0.004 0.000 0.806 320 A HN 0.449 nan 8.150 nan 0.000 0.448 321 K N -0.809 119.592 120.400 0.002 0.000 2.335 321 K HA 0.157 4.477 4.320 -0.000 0.000 0.195 321 K C 0.158 176.761 176.600 0.004 0.000 1.058 321 K CA 0.826 57.115 56.287 0.004 0.000 0.988 321 K CB 0.419 32.922 32.500 0.006 0.000 0.880 321 K HN 0.524 nan 8.250 nan 0.000 0.513 322 E N -0.781 119.419 120.200 0.000 0.000 3.918 322 E HA 0.248 4.598 4.350 -0.000 0.000 0.183 322 E C -0.359 176.234 176.600 -0.012 0.000 1.021 322 E CA -0.388 56.011 56.400 -0.001 0.000 1.431 322 E CB 1.271 30.975 29.700 0.006 0.000 1.140 322 E HN 0.177 nan 8.360 nan 0.000 0.435 323 G N 0.809 109.601 108.800 -0.014 0.000 2.735 323 G HA2 0.680 4.640 3.960 -0.000 0.000 0.301 323 G HA3 0.680 4.640 3.960 -0.000 0.000 0.301 323 G C 0.083 174.972 174.900 -0.018 0.000 1.279 323 G CA -0.885 44.202 45.100 -0.021 0.000 1.019 323 G HN 0.171 nan 8.290 nan 0.000 0.497 324 I N -1.673 118.886 120.570 -0.017 0.000 2.970 324 I HA 0.478 4.648 4.170 -0.000 0.000 0.310 324 I C 0.120 176.260 176.117 0.037 0.000 1.010 324 I CA -0.893 60.401 61.300 -0.011 0.000 1.228 324 I CB 0.832 38.822 38.000 -0.016 0.000 1.433 324 I HN 0.255 nan 8.210 nan 0.000 0.573 325 I N 3.324 123.931 120.570 0.061 0.000 2.752 325 I HA 0.055 4.225 4.170 -0.000 0.000 0.289 325 I C -1.760 174.476 176.117 0.198 0.000 1.197 325 I CA -1.148 60.239 61.300 0.146 0.000 1.432 325 I CB 0.014 38.154 38.000 0.233 0.000 1.359 325 I HN 0.451 nan 8.210 nan 0.000 0.571 326 P HA 0.064 nan 4.420 nan 0.000 0.249 326 P C 0.762 178.126 177.300 0.106 0.000 1.737 326 P CA 0.394 63.559 63.100 0.108 0.000 1.128 326 P CB 0.060 31.796 31.700 0.060 0.000 1.942 327 G N 4.244 113.136 108.800 0.153 0.000 2.661 327 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.327 327 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.327 327 G C 0.932 175.749 174.900 -0.138 0.000 1.320 327 G CA 0.494 45.582 45.100 -0.020 0.000 0.997 327 G HN 0.557 nan 8.290 nan 0.000 0.543 328 A N 0.141 122.836 122.820 -0.209 0.000 2.307 328 A HA 0.685 5.005 4.320 -0.000 0.000 0.218 328 A C 2.479 179.912 177.584 -0.253 0.000 1.228 328 A CA 1.348 53.214 52.037 -0.286 0.000 0.857 328 A CB -0.525 18.312 19.000 -0.271 0.000 0.897 328 A HN 2.050 nan 8.150 nan 0.000 0.495 329 A N 1.271 124.018 122.820 -0.122 0.000 1.940 329 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 329 A C 1.742 179.280 177.584 -0.078 0.000 1.176 329 A CA 1.979 53.954 52.037 -0.103 0.000 0.631 329 A CB -0.614 18.356 19.000 -0.051 0.000 0.814 329 A HN 0.573 nan 8.150 nan 0.000 0.446 330 N N -0.477 118.223 118.700 -0.000 0.000 2.289 330 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 330 N C 1.355 176.846 175.510 -0.031 0.000 1.016 330 N CA 1.286 54.377 53.050 0.068 0.000 0.872 330 N CB -0.309 38.328 38.487 0.250 0.000 0.973 330 N HN 0.513 nan 8.380 nan 0.000 0.433 331 L N 0.009 121.021 121.223 -0.351 0.000 2.249 331 L HA 0.148 4.488 4.340 -0.000 0.000 0.207 331 L C 1.627 178.377 176.870 -0.199 0.000 1.090 331 L CA 1.280 55.839 54.840 -0.468 0.000 0.802 331 L CB 0.130 41.496 42.059 -1.155 0.000 0.947 331 L HN -0.018 nan 8.230 nan 0.000 0.453 332 R N -1.476 118.931 120.500 -0.155 0.000 2.167 332 R HA 0.127 4.467 4.340 -0.000 0.000 0.201 332 R C 1.979 178.336 176.300 0.095 0.000 1.024 332 R CA 0.566 56.660 56.100 -0.010 0.000 1.053 332 R CB -0.517 29.751 30.300 -0.052 0.000 0.987 332 R HN 0.190 nan 8.270 nan 0.000 0.493 333 L N 1.469 122.686 121.223 -0.011 0.000 2.043 333 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 333 L C 2.112 179.058 176.870 0.126 0.000 1.075 333 L CA 2.163 57.013 54.840 0.017 0.000 0.752 333 L CB -1.106 40.937 42.059 -0.027 0.000 0.891 333 L HN 0.256 nan 8.230 nan 0.000 0.432 334 G N -1.047 107.804 108.800 0.085 0.000 2.469 334 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.219 334 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.219 334 G C 1.815 176.769 174.900 0.089 0.000 1.150 334 G CA 0.930 46.074 45.100 0.075 0.000 0.763 334 G HN 0.438 nan 8.290 nan 0.000 0.561 335 R N -0.603 119.965 120.500 0.114 0.000 2.105 335 R HA -0.062 4.278 4.340 -0.000 0.000 0.239 335 R C 2.274 178.556 176.300 -0.029 0.000 1.135 335 R CA 1.529 57.647 56.100 0.030 0.000 0.967 335 R CB -0.322 29.994 30.300 0.026 0.000 0.861 335 R HN 0.475 nan 8.270 nan 0.000 0.442 336 F N -1.072 118.855 119.950 -0.038 0.000 2.219 336 F HA 0.121 4.648 4.527 -0.000 0.000 0.294 336 F C 2.105 177.885 175.800 -0.032 0.000 1.086 336 F CA 0.831 58.807 58.000 -0.040 0.000 1.330 336 F CB 0.185 39.154 39.000 -0.051 0.000 1.047 336 F HN 0.106 nan 8.300 nan 0.000 0.495 337 A N -0.381 122.539 122.820 0.167 0.000 2.508 337 A HA 0.586 4.906 4.320 -0.000 0.000 0.250 337 A C 0.897 178.514 177.584 0.055 0.000 1.208 337 A CA 0.412 52.502 52.037 0.089 0.000 0.960 337 A CB -0.494 18.552 19.000 0.076 0.000 1.099 337 A HN 0.468 nan 8.150 nan 0.000 0.542 338 G N -0.293 108.538 108.800 0.051 0.000 2.730 338 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.686 338 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.686 338 G C -1.612 173.309 174.900 0.035 0.000 1.343 338 G CA -0.310 44.810 45.100 0.033 0.000 0.826 338 G HN 0.029 nan 8.290 nan 0.000 0.582 339 P HA -0.126 nan 4.420 nan 0.000 0.215 339 P C 2.167 179.484 177.300 0.028 0.000 1.157 339 P CA 1.619 64.735 63.100 0.028 0.000 0.874 339 P CB 0.043 31.757 31.700 0.023 0.000 0.790 340 R N -0.493 120.022 120.500 0.026 0.000 2.070 340 R HA -0.059 4.281 4.340 -0.000 0.000 0.233 340 R C 2.184 178.502 176.300 0.029 0.000 1.137 340 R CA 1.228 57.343 56.100 0.025 0.000 0.945 340 R CB -1.659 28.655 30.300 0.023 0.000 0.845 340 R HN 0.152 nan 8.270 nan 0.000 0.430 341 V N 0.816 120.749 119.914 0.032 0.000 2.626 341 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 341 V C 2.357 178.471 176.094 0.033 0.000 1.067 341 V CA 1.499 63.820 62.300 0.035 0.000 1.081 341 V CB -0.279 31.568 31.823 0.040 0.000 0.686 341 V HN 0.287 nan 8.190 nan 0.000 0.468 342 S N -0.412 115.309 115.700 0.034 0.000 2.368 342 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 342 S C 2.111 176.728 174.600 0.029 0.000 1.029 342 S CA 1.308 59.526 58.200 0.031 0.000 0.988 342 S CB -0.195 63.026 63.200 0.035 0.000 0.838 342 S HN 0.541 nan 8.310 nan 0.000 0.462 343 R N 0.701 121.219 120.500 0.029 0.000 2.189 343 R HA 0.048 4.388 4.340 -0.000 0.000 0.218 343 R C 2.445 178.760 176.300 0.025 0.000 1.074 343 R CA 0.791 56.907 56.100 0.027 0.000 0.991 343 R CB -0.111 30.205 30.300 0.026 0.000 0.883 343 R HN 0.481 nan 8.270 nan 0.000 0.457 344 Q N -0.177 119.639 119.800 0.026 0.000 2.083 344 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 344 Q C 2.121 178.135 176.000 0.023 0.000 0.969 344 Q CA 1.251 57.069 55.803 0.026 0.000 0.838 344 Q CB 0.169 28.925 28.738 0.030 0.000 0.900 344 Q HN 0.131 nan 8.270 nan 0.000 0.436 345 V N 0.689 120.618 119.914 0.024 0.000 2.283 345 V HA -0.225 3.894 4.120 -0.000 0.000 0.243 345 V C 2.058 178.162 176.094 0.017 0.000 1.039 345 V CA 1.633 63.946 62.300 0.021 0.000 1.016 345 V CB -0.332 31.503 31.823 0.020 0.000 0.650 345 V HN 0.322 nan 8.190 nan 0.000 0.449 346 I N -0.696 119.886 120.570 0.020 0.000 2.400 346 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 346 I C 2.170 178.300 176.117 0.022 0.000 1.109 346 I CA 1.157 62.471 61.300 0.022 0.000 1.425 346 I CB -0.133 37.885 38.000 0.030 0.000 1.094 346 I HN 0.215 nan 8.210 nan 0.000 0.425 347 L N 0.143 121.380 121.223 0.022 0.000 2.179 347 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 347 L C 1.237 178.116 176.870 0.015 0.000 1.096 347 L CA 1.169 56.021 54.840 0.020 0.000 0.779 347 L CB -0.238 41.833 42.059 0.021 0.000 0.922 347 L HN 0.285 nan 8.230 nan 0.000 0.443 348 E N -0.454 119.755 120.200 0.015 0.000 2.734 348 E HA 0.176 4.526 4.350 -0.000 0.000 0.211 348 E C 0.856 177.460 176.600 0.007 0.000 0.991 348 E CA 0.379 56.786 56.400 0.012 0.000 1.065 348 E CB 0.977 30.686 29.700 0.014 0.000 1.047 348 E HN 0.369 nan 8.360 nan 0.000 0.470 349 G N 3.184 111.986 108.800 0.004 0.000 2.233 349 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.270 349 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.270 349 G C 0.392 175.286 174.900 -0.009 0.000 1.011 349 G CA 0.705 45.802 45.100 -0.005 0.000 0.762 349 G HN 0.310 nan 8.290 nan 0.000 0.511 350 R N 0.128 120.631 120.500 0.004 0.000 2.502 350 R HA 0.248 4.588 4.340 -0.000 0.000 0.292 350 R C 0.798 177.094 176.300 -0.006 0.000 0.998 350 R CA 0.004 56.109 56.100 0.009 0.000 1.056 350 R CB 0.255 30.572 30.300 0.027 0.000 0.939 350 R HN 0.469 nan 8.270 nan 0.000 0.411 351 R N 5.038 125.515 120.500 -0.038 0.000 2.407 351 R HA 0.336 4.676 4.340 -0.000 0.000 0.303 351 R C -0.797 175.450 176.300 -0.090 0.000 0.981 351 R CA -0.489 55.540 56.100 -0.117 0.000 0.905 351 R CB 0.867 30.987 30.300 -0.300 0.000 1.099 351 R HN 0.574 nan 8.270 nan 0.000 0.459 352 I N 4.633 125.182 120.570 -0.035 0.000 2.362 352 I HA 0.280 4.450 4.170 -0.000 0.000 0.289 352 I C -0.700 175.482 176.117 0.108 0.000 0.994 352 I CA -0.790 60.576 61.300 0.110 0.000 1.158 352 I CB 1.199 39.325 38.000 0.210 0.000 1.315 352 I HN 0.565 nan 8.210 nan 0.000 0.451 353 W N 4.055 125.468 121.300 0.190 0.000 2.316 353 W HA 0.422 5.082 4.660 0.000 0.000 0.321 353 W C 1.381 178.055 176.519 0.258 0.000 1.203 353 W CA -0.347 57.098 57.345 0.168 0.000 1.214 353 W CB 0.967 30.484 29.460 0.096 0.000 1.169 353 W HN 0.588 nan 8.180 nan 0.000 0.561 354 A N 2.387 125.500 122.820 0.489 0.000 1.948 354 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 354 A C 1.895 179.673 177.584 0.323 0.000 1.177 354 A CA 1.430 53.762 52.037 0.493 0.000 0.636 354 A CB -0.256 18.955 19.000 0.352 0.000 0.815 354 A HN 0.541 nan 8.150 nan 0.000 0.449 355 K N 0.588 121.157 120.400 0.282 0.000 2.444 355 K HA 0.025 4.345 4.320 -0.000 0.000 0.193 355 K C 0.321 177.012 176.600 0.152 0.000 1.024 355 K CA 0.334 56.727 56.287 0.177 0.000 1.077 355 K CB -0.066 32.505 32.500 0.119 0.000 0.833 355 K HN 0.920 nan 8.250 nan 0.000 0.517 356 E N -0.281 120.039 120.200 0.200 0.000 2.283 356 E HA 0.184 4.534 4.350 -0.000 0.000 0.271 356 E C -2.153 174.521 176.600 0.122 0.000 1.031 356 E CA -1.968 54.523 56.400 0.151 0.000 0.868 356 E CB 0.898 30.709 29.700 0.185 0.000 1.094 356 E HN -0.289 nan 8.360 nan 0.000 0.401 357 P HA -0.244 nan 4.420 nan 0.000 0.217 357 P C 0.490 177.829 177.300 0.066 0.000 1.158 357 P CA 1.614 64.754 63.100 0.066 0.000 0.887 357 P CB 0.118 31.849 31.700 0.052 0.000 0.792 358 E N -1.119 119.127 120.200 0.076 0.000 2.516 358 E HA -0.007 4.343 4.350 -0.000 0.000 0.199 358 E C 1.831 178.467 176.600 0.061 0.000 1.069 358 E CA 0.441 56.880 56.400 0.066 0.000 0.876 358 E CB -0.328 29.414 29.700 0.069 0.000 0.843 358 E HN 0.220 nan 8.360 nan 0.000 0.530 359 A N 2.007 124.878 122.820 0.085 0.000 2.067 359 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 359 A C 2.041 179.609 177.584 -0.027 0.000 1.158 359 A CA 0.809 52.879 52.037 0.055 0.000 0.661 359 A CB -0.456 18.646 19.000 0.170 0.000 0.801 359 A HN 0.219 nan 8.150 nan 0.000 0.452 360 R N 0.001 120.507 120.500 0.010 0.000 2.323 360 R HA 0.165 4.505 4.340 -0.000 0.000 0.198 360 R C 0.798 177.098 176.300 0.001 0.000 0.988 360 R CA 0.661 56.760 56.100 -0.002 0.000 1.041 360 R CB -0.513 29.796 30.300 0.014 0.000 0.926 360 R HN 0.463 nan 8.270 nan 0.000 0.476 361 L N 0.183 121.409 121.223 0.006 0.000 2.446 361 L HA 0.100 4.440 4.340 -0.000 0.000 0.219 361 L C 1.641 178.564 176.870 0.089 0.000 1.116 361 L CA 0.601 55.468 54.840 0.046 0.000 0.844 361 L CB 0.075 42.167 42.059 0.054 0.000 0.970 361 L HN 0.229 nan 8.230 nan 0.000 0.457 362 L N -2.209 118.990 121.223 -0.040 0.000 2.854 362 L HA 0.248 4.588 4.340 -0.000 0.000 0.249 362 L C 0.045 176.788 176.870 -0.213 0.000 1.091 362 L CA -0.078 54.683 54.840 -0.133 0.000 0.935 362 L CB 0.945 42.787 42.059 -0.362 0.000 1.367 362 L HN -0.194 nan 8.230 nan 0.000 0.524 363 V N 0.319 120.099 119.914 -0.223 0.000 2.495 363 V HA 0.240 4.360 4.120 -0.000 0.000 0.298 363 V C 0.124 176.176 176.094 -0.070 0.000 1.031 363 V CA -0.547 61.638 62.300 -0.191 0.000 0.871 363 V CB 2.120 33.801 31.823 -0.238 0.000 0.988 363 V HN 0.078 nan 8.190 nan 0.000 0.432 364 D N 2.267 122.643 120.400 -0.040 0.000 2.137 364 D HA 0.030 4.670 4.640 -0.000 0.000 0.202 364 D C 0.347 176.645 176.300 -0.003 0.000 0.970 364 D CA 1.081 55.075 54.000 -0.010 0.000 0.837 364 D CB 0.754 41.556 40.800 0.003 0.000 0.981 364 D HN 0.663 nan 8.370 nan 0.000 0.475 365 E N 0.545 120.743 120.200 -0.003 0.000 2.241 365 E HA 0.401 4.751 4.350 -0.000 0.000 0.263 365 E C -1.167 175.448 176.600 0.025 0.000 0.882 365 E CA -0.422 55.985 56.400 0.012 0.000 0.769 365 E CB 3.284 32.990 29.700 0.011 0.000 1.185 365 E HN -0.228 nan 8.360 nan 0.000 0.415 366 V N 3.554 123.493 119.914 0.042 0.000 2.328 366 V HA 0.326 4.446 4.120 -0.000 0.000 0.278 366 V C -0.217 175.909 176.094 0.053 0.000 1.021 366 V CA -0.670 61.670 62.300 0.067 0.000 0.838 366 V CB 1.353 33.232 31.823 0.095 0.000 0.999 366 V HN 0.455 nan 8.190 nan 0.000 0.447 367 V N 4.260 124.202 119.914 0.047 0.000 2.864 367 V HA 0.633 4.753 4.120 -0.000 0.000 0.314 367 V C 0.010 176.128 176.094 0.040 0.000 1.073 367 V CA -0.628 61.694 62.300 0.038 0.000 0.956 367 V CB 2.234 34.074 31.823 0.028 0.000 1.023 367 V HN 0.845 nan 8.190 nan 0.000 0.435 368 E N 5.900 126.120 120.200 0.034 0.000 2.413 368 E HA 0.146 4.496 4.350 -0.000 0.000 0.263 368 E C -1.675 174.944 176.600 0.030 0.000 1.015 368 E CA -1.531 54.889 56.400 0.033 0.000 0.916 368 E CB 0.985 30.701 29.700 0.027 0.000 0.947 368 E HN 0.601 nan 8.360 nan 0.000 0.440 369 P HA -0.238 nan 4.420 nan 0.000 0.217 369 P C 0.619 177.934 177.300 0.024 0.000 1.151 369 P CA 1.708 64.825 63.100 0.028 0.000 0.849 369 P CB 0.201 31.920 31.700 0.031 0.000 0.787 370 D N -0.616 119.797 120.400 0.022 0.000 2.219 370 D HA -0.161 4.479 4.640 -0.000 0.000 0.205 370 D C 1.803 178.114 176.300 0.018 0.000 0.970 370 D CA 0.938 54.949 54.000 0.019 0.000 0.851 370 D CB -0.842 39.968 40.800 0.017 0.000 0.943 370 D HN 0.130 nan 8.370 nan 0.000 0.488 371 E N -0.635 119.577 120.200 0.019 0.000 2.498 371 E HA 0.082 4.432 4.350 -0.000 0.000 0.203 371 E C 1.499 178.109 176.600 0.018 0.000 1.013 371 E CA -0.241 56.169 56.400 0.017 0.000 0.927 371 E CB 0.293 30.003 29.700 0.017 0.000 1.012 371 E HN 0.237 nan 8.360 nan 0.000 0.482 372 L N 1.651 122.886 121.223 0.020 0.000 1.989 372 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 372 L C 1.488 178.369 176.870 0.018 0.000 1.071 372 L CA 2.064 56.916 54.840 0.020 0.000 0.749 372 L CB -0.509 41.563 42.059 0.021 0.000 0.890 372 L HN -0.029 nan 8.230 nan 0.000 0.431 373 D N -0.037 120.374 120.400 0.019 0.000 2.133 373 D HA -0.213 4.427 4.640 -0.000 0.000 0.195 373 D C 2.167 178.477 176.300 0.017 0.000 0.997 373 D CA 1.704 55.716 54.000 0.019 0.000 0.840 373 D CB -0.323 40.489 40.800 0.020 0.000 0.947 373 D HN 0.524 nan 8.370 nan 0.000 0.452 374 A N 0.933 123.762 122.820 0.015 0.000 1.902 374 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 374 A C 2.327 179.918 177.584 0.012 0.000 1.181 374 A CA 2.211 54.255 52.037 0.013 0.000 0.623 374 A CB -0.683 18.324 19.000 0.012 0.000 0.818 374 A HN 0.244 nan 8.150 nan 0.000 0.443 375 A N 0.036 122.864 122.820 0.013 0.000 1.933 375 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 375 A C 2.104 179.696 177.584 0.013 0.000 1.175 375 A CA 1.474 53.519 52.037 0.013 0.000 0.628 375 A CB -0.605 18.404 19.000 0.014 0.000 0.814 375 A HN 0.510 nan 8.150 nan 0.000 0.444 376 I N -0.338 120.241 120.570 0.015 0.000 2.179 376 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 376 I C 2.415 178.541 176.117 0.016 0.000 1.088 376 I CA 1.353 62.663 61.300 0.017 0.000 1.357 376 I CB -0.458 37.554 38.000 0.021 0.000 1.051 376 I HN 0.268 nan 8.210 nan 0.000 0.409 377 E N 0.609 120.817 120.200 0.014 0.000 2.118 377 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 377 E C 2.176 178.780 176.600 0.006 0.000 0.992 377 E CA 1.079 57.485 56.400 0.010 0.000 0.804 377 E CB -0.369 29.337 29.700 0.009 0.000 0.741 377 E HN 0.436 nan 8.360 nan 0.000 0.458 378 R N 0.743 121.247 120.500 0.007 0.000 2.073 378 R HA -0.088 4.252 4.340 -0.000 0.000 0.229 378 R C 2.482 178.785 176.300 0.004 0.000 1.120 378 R CA 1.522 57.625 56.100 0.004 0.000 0.967 378 R CB -0.045 30.258 30.300 0.006 0.000 0.862 378 R HN 0.189 nan 8.270 nan 0.000 0.436 379 S N 0.225 115.930 115.700 0.008 0.000 2.423 379 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 379 S C 1.980 176.585 174.600 0.008 0.000 1.014 379 S CA 0.703 58.909 58.200 0.011 0.000 0.965 379 S CB -0.319 62.891 63.200 0.018 0.000 0.785 379 S HN 0.316 nan 8.310 nan 0.000 0.495 380 L N 1.994 123.220 121.223 0.005 0.000 2.275 380 L HA -0.039 4.300 4.340 -0.000 0.000 0.215 380 L C 2.910 179.770 176.870 -0.017 0.000 1.119 380 L CA 1.467 56.304 54.840 -0.005 0.000 0.790 380 L CB -0.977 41.078 42.059 -0.006 0.000 0.919 380 L HN 0.613 nan 8.230 nan 0.000 0.443 381 T N -4.025 110.522 114.554 -0.012 0.000 3.067 381 T HA -0.018 4.332 4.350 -0.000 0.000 0.257 381 T C 1.753 176.444 174.700 -0.016 0.000 1.105 381 T CA 0.048 62.139 62.100 -0.016 0.000 1.104 381 T CB -0.083 68.778 68.868 -0.012 0.000 0.925 381 T HN 0.271 nan 8.240 nan 0.000 0.498 382 R N 0.535 121.029 120.500 -0.011 0.000 2.310 382 R HA 0.349 4.689 4.340 -0.000 0.000 0.202 382 R C 0.763 177.054 176.300 -0.015 0.000 0.933 382 R CA 0.250 56.343 56.100 -0.011 0.000 1.054 382 R CB -0.161 30.136 30.300 -0.005 0.000 0.985 382 R HN 0.401 nan 8.270 nan 0.000 0.489 383 L N 0.010 121.220 121.223 -0.021 0.000 3.066 383 L HA 0.172 4.512 4.340 -0.000 0.000 0.265 383 L C 0.702 177.546 176.870 -0.044 0.000 1.232 383 L CA -0.159 54.664 54.840 -0.028 0.000 1.031 383 L CB 0.459 42.503 42.059 -0.025 0.000 1.379 383 L HN 0.002 nan 8.230 nan 0.000 0.563 384 D N 0.985 121.361 120.400 -0.040 0.000 2.110 384 D HA -0.029 4.611 4.640 -0.000 0.000 0.202 384 D C 1.457 177.732 176.300 -0.042 0.000 0.975 384 D CA 0.987 54.960 54.000 -0.045 0.000 0.839 384 D CB 0.226 41.004 40.800 -0.038 0.000 0.996 384 D HN 0.341 nan 8.370 nan 0.000 0.464 385 G N 0.599 109.378 108.800 -0.035 0.000 2.597 385 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.283 385 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.283 385 G C 0.276 175.154 174.900 -0.038 0.000 1.319 385 G CA -0.005 45.075 45.100 -0.033 0.000 1.054 385 G HN -0.004 nan 8.290 nan 0.000 0.583 386 D N -0.683 119.695 120.400 -0.036 0.000 2.305 386 D HA 0.182 4.822 4.640 -0.000 0.000 0.206 386 D C 2.537 178.810 176.300 -0.045 0.000 0.974 386 D CA 0.915 54.890 54.000 -0.042 0.000 0.871 386 D CB 0.067 40.842 40.800 -0.041 0.000 0.947 386 D HN 0.362 nan 8.370 nan 0.000 0.516 387 A N 0.396 123.192 122.820 -0.039 0.000 1.877 387 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 387 A C 2.308 179.868 177.584 -0.039 0.000 1.186 387 A CA 1.112 53.126 52.037 -0.039 0.000 0.620 387 A CB -0.859 18.121 19.000 -0.032 0.000 0.822 387 A HN 0.124 nan 8.150 nan 0.000 0.443 388 V N 0.334 120.226 119.914 -0.036 0.000 2.287 388 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 388 V C 2.600 178.669 176.094 -0.040 0.000 1.053 388 V CA 2.067 64.346 62.300 -0.035 0.000 1.027 388 V CB -0.839 30.964 31.823 -0.034 0.000 0.646 388 V HN 0.567 nan 8.190 nan 0.000 0.447 389 L N -0.139 121.056 121.223 -0.046 0.000 2.012 389 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 389 L C 2.774 179.611 176.870 -0.055 0.000 1.073 389 L CA 1.830 56.640 54.840 -0.050 0.000 0.748 389 L CB -0.907 41.121 42.059 -0.052 0.000 0.891 389 L HN 0.393 nan 8.230 nan 0.000 0.431 390 A N 0.188 122.973 122.820 -0.059 0.000 1.877 390 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 390 A C 2.061 179.610 177.584 -0.058 0.000 1.186 390 A CA 1.936 53.933 52.037 -0.065 0.000 0.620 390 A CB -0.618 18.340 19.000 -0.069 0.000 0.822 390 A HN 0.453 nan 8.150 nan 0.000 0.443 391 N N 0.020 118.690 118.700 -0.050 0.000 2.120 391 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 391 N C 1.893 177.375 175.510 -0.046 0.000 1.024 391 N CA 1.734 54.757 53.050 -0.046 0.000 0.852 391 N CB -0.482 37.982 38.487 -0.039 0.000 1.003 391 N HN 0.790 nan 8.380 nan 0.000 0.424 392 R N 1.159 121.632 120.500 -0.044 0.000 2.148 392 R HA 0.034 4.374 4.340 -0.000 0.000 0.227 392 R C 2.161 178.428 176.300 -0.054 0.000 1.103 392 R CA 0.874 56.949 56.100 -0.042 0.000 0.983 392 R CB -0.282 30.000 30.300 -0.030 0.000 0.874 392 R HN 0.116 nan 8.270 nan 0.000 0.451 393 R N 0.310 120.774 120.500 -0.060 0.000 2.075 393 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 393 R C 1.924 178.182 176.300 -0.070 0.000 1.126 393 R CA 1.536 57.593 56.100 -0.072 0.000 0.963 393 R CB -0.032 30.222 30.300 -0.076 0.000 0.858 393 R HN 0.214 nan 8.270 nan 0.000 0.435 394 M N 0.628 120.191 119.600 -0.062 0.000 2.175 394 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 394 M C 2.286 178.552 176.300 -0.056 0.000 1.063 394 M CA 1.298 56.564 55.300 -0.056 0.000 1.119 394 M CB -0.805 31.764 32.600 -0.051 0.000 1.377 394 M HN 0.231 nan 8.290 nan 0.000 0.415 395 L N 0.223 121.412 121.223 -0.057 0.000 2.017 395 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 395 L C 2.199 179.030 176.870 -0.066 0.000 1.073 395 L CA 1.063 55.867 54.840 -0.060 0.000 0.745 395 L CB -0.745 41.279 42.059 -0.058 0.000 0.894 395 L HN 0.321 nan 8.230 nan 0.000 0.432 396 N N 0.083 118.742 118.700 -0.069 0.000 2.244 396 N HA -0.181 4.559 4.740 -0.000 0.000 0.183 396 N C 1.825 177.289 175.510 -0.076 0.000 1.016 396 N CA 1.029 54.033 53.050 -0.078 0.000 0.866 396 N CB -0.281 38.149 38.487 -0.096 0.000 0.980 396 N HN 0.333 nan 8.380 nan 0.000 0.430 397 L N 0.150 121.331 121.223 -0.070 0.000 2.141 397 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 397 L C 1.948 178.791 176.870 -0.045 0.000 1.094 397 L CA 1.185 55.989 54.840 -0.058 0.000 0.763 397 L CB -0.168 41.857 42.059 -0.056 0.000 0.908 397 L HN 0.080 nan 8.230 nan 0.000 0.437 398 A N -0.570 122.221 122.820 -0.048 0.000 1.935 398 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 398 A C 1.833 179.389 177.584 -0.046 0.000 1.178 398 A CA 1.354 53.365 52.037 -0.044 0.000 0.640 398 A CB -0.428 18.544 19.000 -0.047 0.000 0.825 398 A HN 0.462 nan 8.150 nan 0.000 0.447 399 D N -0.518 119.848 120.400 -0.057 0.000 2.123 399 D HA -0.027 4.613 4.640 -0.000 0.000 0.200 399 D C 0.754 177.032 176.300 -0.037 0.000 0.976 399 D CA 1.089 55.053 54.000 -0.060 0.000 0.831 399 D CB 0.108 40.861 40.800 -0.079 0.000 0.974 399 D HN 0.654 nan 8.370 nan 0.000 0.469 400 E N 0.616 120.795 120.200 -0.035 0.000 2.460 400 E HA 0.228 4.578 4.350 -0.000 0.000 0.249 400 E C -0.797 175.801 176.600 -0.003 0.000 0.962 400 E CA -0.353 56.038 56.400 -0.015 0.000 0.787 400 E CB 0.903 30.581 29.700 -0.036 0.000 1.341 400 E HN -0.016 nan 8.360 nan 0.000 0.407 401 S N 3.002 118.713 115.700 0.018 0.000 2.584 401 S HA 0.205 4.675 4.470 -0.000 0.000 0.270 401 S C -1.719 172.922 174.600 0.069 0.000 1.346 401 S CA -0.899 57.317 58.200 0.027 0.000 1.018 401 S CB 1.060 64.274 63.200 0.024 0.000 0.899 401 S HN 0.354 nan 8.310 nan 0.000 0.542 402 P HA -0.043 nan 4.420 nan 0.000 0.216 402 P C 0.577 177.954 177.300 0.128 0.000 1.150 402 P CA 1.169 64.337 63.100 0.113 0.000 0.837 402 P CB -0.016 31.725 31.700 0.070 0.000 0.786 403 D N -1.146 119.300 120.400 0.078 0.000 2.123 403 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 403 D C 2.262 178.604 176.300 0.069 0.000 0.976 403 D CA 1.508 55.542 54.000 0.056 0.000 0.831 403 D CB -1.109 39.710 40.800 0.032 0.000 0.974 403 D HN 0.054 nan 8.370 nan 0.000 0.469 404 G N -0.067 108.783 108.800 0.083 0.000 2.446 404 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 404 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 404 G C 1.508 176.492 174.900 0.139 0.000 1.168 404 G CA 0.536 45.691 45.100 0.092 0.000 0.771 404 G HN 0.260 nan 8.290 nan 0.000 0.551 405 F N 1.253 121.198 119.950 -0.008 0.000 2.113 405 F HA 0.108 4.635 4.527 -0.000 0.000 0.297 405 F C 2.712 178.503 175.800 -0.015 0.000 1.103 405 F CA 1.621 59.600 58.000 -0.034 0.000 1.248 405 F CB -0.285 38.667 39.000 -0.079 0.000 0.999 405 F HN 0.062 nan 8.300 nan 0.000 0.475 406 R N 0.347 120.838 120.500 -0.016 0.000 2.083 406 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 406 R C 2.376 178.586 176.300 -0.151 0.000 1.137 406 R CA 1.466 57.481 56.100 -0.141 0.000 0.951 406 R CB -0.738 29.546 30.300 -0.027 0.000 0.851 406 R HN 0.377 nan 8.270 nan 0.000 0.434 407 A N 0.113 122.897 122.820 -0.060 0.000 1.883 407 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 407 A C 2.061 179.612 177.584 -0.056 0.000 1.186 407 A CA 1.614 53.624 52.037 -0.046 0.000 0.624 407 A CB -1.016 17.985 19.000 0.001 0.000 0.822 407 A HN 0.645 nan 8.150 nan 0.000 0.444 408 Y N -0.283 119.924 120.300 -0.156 0.000 2.114 408 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 408 Y C 2.370 178.159 175.900 -0.184 0.000 1.143 408 Y CA 2.221 60.232 58.100 -0.149 0.000 1.135 408 Y CB -0.196 38.172 38.460 -0.155 0.000 0.980 408 Y HN 0.215 nan 8.280 nan 0.000 0.499 409 M N 0.194 119.657 119.600 -0.229 0.000 2.213 409 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 409 M C 2.398 178.605 176.300 -0.155 0.000 1.062 409 M CA 1.457 56.591 55.300 -0.277 0.000 1.105 409 M CB -1.886 30.367 32.600 -0.578 0.000 1.385 409 M HN 0.500 nan 8.290 nan 0.000 0.417 410 A N 0.339 123.051 122.820 -0.180 0.000 1.841 410 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 410 A C 2.134 179.641 177.584 -0.129 0.000 1.199 410 A CA 1.637 53.588 52.037 -0.143 0.000 0.621 410 A CB -0.606 18.312 19.000 -0.137 0.000 0.835 410 A HN 0.403 nan 8.150 nan 0.000 0.445 411 E N -0.937 119.169 120.200 -0.156 0.000 2.077 411 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 411 E C 1.775 178.265 176.600 -0.183 0.000 0.989 411 E CA 1.175 57.477 56.400 -0.163 0.000 0.800 411 E CB -0.587 29.005 29.700 -0.180 0.000 0.746 411 E HN 0.674 nan 8.360 nan 0.000 0.452 412 F N 1.833 121.546 119.950 -0.395 0.000 2.120 412 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 412 F C 2.239 177.925 175.800 -0.190 0.000 1.095 412 F CA 1.642 59.428 58.000 -0.356 0.000 1.249 412 F CB -0.353 38.383 39.000 -0.439 0.000 0.995 412 F HN -0.001 nan 8.300 nan 0.000 0.480 413 A N 0.289 123.048 122.820 -0.102 0.000 1.903 413 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 413 A C 2.113 179.585 177.584 -0.187 0.000 1.191 413 A CA 2.181 54.145 52.037 -0.122 0.000 0.638 413 A CB -1.247 17.729 19.000 -0.041 0.000 0.823 413 A HN 0.538 nan 8.150 nan 0.000 0.451 414 L N -1.592 119.533 121.223 -0.164 0.000 2.168 414 L HA 0.045 4.385 4.340 -0.000 0.000 0.203 414 L C 2.282 179.049 176.870 -0.172 0.000 1.078 414 L CA 1.509 56.272 54.840 -0.127 0.000 0.780 414 L CB -0.506 41.504 42.059 -0.083 0.000 0.939 414 L HN 0.255 nan 8.230 nan 0.000 0.451 415 M N -0.684 118.780 119.600 -0.225 0.000 2.086 415 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 415 M C 2.337 178.457 176.300 -0.300 0.000 1.067 415 M CA 1.648 56.813 55.300 -0.225 0.000 1.116 415 M CB -1.321 31.150 32.600 -0.215 0.000 1.348 415 M HN 0.365 nan 8.290 nan 0.000 0.407 416 Q N 0.104 119.575 119.800 -0.549 0.000 2.291 416 Q HA 0.021 4.361 4.340 -0.000 0.000 0.205 416 Q C 1.883 177.686 176.000 -0.328 0.000 0.970 416 Q CA 1.730 57.179 55.803 -0.591 0.000 0.876 416 Q CB -0.263 27.719 28.738 -1.260 0.000 0.935 416 Q HN 0.468 nan 8.270 nan 0.000 0.455 417 A N -0.148 122.527 122.820 -0.241 0.000 1.872 417 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 417 A C 1.980 179.553 177.584 -0.018 0.000 1.187 417 A CA 1.183 53.169 52.037 -0.086 0.000 0.614 417 A CB -0.680 18.307 19.000 -0.022 0.000 0.826 417 A HN 0.427 nan 8.150 nan 0.000 0.442 418 L N -0.881 120.314 121.223 -0.047 0.000 2.083 418 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 418 L C 2.747 179.587 176.870 -0.050 0.000 1.083 418 L CA 0.986 55.812 54.840 -0.023 0.000 0.752 418 L CB -0.497 41.531 42.059 -0.052 0.000 0.899 418 L HN 0.265 nan 8.230 nan 0.000 0.433 419 R N -0.183 120.256 120.500 -0.101 0.000 2.115 419 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 419 R C 2.050 178.265 176.300 -0.141 0.000 1.100 419 R CA 0.770 56.806 56.100 -0.106 0.000 0.980 419 R CB -0.776 29.457 30.300 -0.110 0.000 0.875 419 R HN 0.234 nan 8.270 nan 0.000 0.445 420 L N -0.035 121.064 121.223 -0.205 0.000 2.353 420 L HA -0.102 4.238 4.340 -0.000 0.000 0.220 420 L C 0.331 176.840 176.870 -0.601 0.000 1.133 420 L CA 1.582 56.191 54.840 -0.385 0.000 0.798 420 L CB -0.174 41.611 42.059 -0.458 0.000 0.922 420 L HN 0.076 nan 8.230 nan 0.000 0.445 421 Y N -1.296 118.944 120.300 -0.100 0.000 2.698 421 Y HA 0.499 5.049 4.550 -0.000 0.000 0.261 421 Y C 1.017 176.800 175.900 -0.196 0.000 1.104 421 Y CA -0.653 57.373 58.100 -0.124 0.000 1.145 421 Y CB 0.029 38.411 38.460 -0.130 0.000 1.191 421 Y HN -0.025 nan 8.280 nan 0.000 0.564 422 G N -0.565 108.187 108.800 -0.080 0.000 2.353 422 G HA2 0.118 4.078 3.960 -0.000 0.000 0.284 422 G HA3 0.118 4.078 3.960 -0.000 0.000 0.284 422 G C 0.447 175.296 174.900 -0.085 0.000 1.172 422 G CA -0.176 44.847 45.100 -0.128 0.000 0.854 422 G HN 0.385 nan 8.290 nan 0.000 0.485 423 H N 1.945 121.032 119.070 0.027 0.000 2.390 423 H HA -0.163 4.393 4.556 -0.000 0.000 0.298 423 H C 2.265 177.601 175.328 0.013 0.000 1.106 423 H CA 1.880 57.941 56.048 0.023 0.000 1.297 423 H CB 0.090 29.864 29.762 0.020 0.000 1.375 423 H HN 0.760 nan 8.280 nan 0.000 0.509 424 D N 0.661 121.130 120.400 0.114 0.000 2.144 424 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 424 D C 2.228 178.550 176.300 0.036 0.000 0.984 424 D CA 1.108 55.146 54.000 0.064 0.000 0.834 424 D CB -0.843 39.981 40.800 0.041 0.000 0.955 424 D HN 0.294 nan 8.370 nan 0.000 0.465 425 V N 0.958 120.880 119.914 0.013 0.000 2.323 425 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 425 V C 2.598 178.693 176.094 0.001 0.000 1.041 425 V CA 0.801 63.095 62.300 -0.009 0.000 1.025 425 V CB -0.423 31.374 31.823 -0.043 0.000 0.656 425 V HN 0.145 nan 8.190 nan 0.000 0.451 426 I N 0.363 120.943 120.570 0.017 0.000 2.194 426 I HA -0.238 3.932 4.170 -0.000 0.000 0.246 426 I C 2.495 178.641 176.117 0.047 0.000 1.093 426 I CA 2.201 63.522 61.300 0.034 0.000 1.355 426 I CB -0.703 37.346 38.000 0.082 0.000 1.046 426 I HN 0.414 nan 8.210 nan 0.000 0.413 427 D N 1.473 121.908 120.400 0.059 0.000 2.078 427 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 427 D C 2.392 178.718 176.300 0.043 0.000 0.990 427 D CA 2.344 56.374 54.000 0.051 0.000 0.827 427 D CB 0.178 41.010 40.800 0.053 0.000 0.975 427 D HN 0.301 nan 8.370 nan 0.000 0.451 428 K N 0.733 121.155 120.400 0.036 0.000 2.032 428 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 428 K C 2.414 179.042 176.600 0.048 0.000 1.048 428 K CA 1.616 57.925 56.287 0.036 0.000 0.927 428 K CB -1.334 31.177 32.500 0.019 0.000 0.712 428 K HN 0.164 nan 8.250 nan 0.000 0.441 429 V N 0.856 120.789 119.914 0.031 0.000 2.469 429 V HA -0.152 3.967 4.120 -0.000 0.000 0.251 429 V C 2.758 178.905 176.094 0.089 0.000 1.064 429 V CA 1.807 64.130 62.300 0.039 0.000 1.066 429 V CB -0.985 30.840 31.823 0.003 0.000 0.667 429 V HN 0.704 nan 8.190 nan 0.000 0.461 430 G N -0.398 108.445 108.800 0.072 0.000 2.509 430 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 430 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 430 G C 1.711 176.660 174.900 0.082 0.000 1.124 430 G CA 0.220 45.364 45.100 0.074 0.000 0.776 430 G HN 0.463 nan 8.290 nan 0.000 0.547 431 R N -1.193 119.362 120.500 0.093 0.000 2.276 431 R HA 0.172 4.512 4.340 -0.000 0.000 0.196 431 R C 0.177 176.542 176.300 0.109 0.000 0.961 431 R CA -0.542 55.607 56.100 0.081 0.000 1.024 431 R CB -0.031 30.311 30.300 0.069 0.000 0.940 431 R HN 0.303 nan 8.270 nan 0.000 0.480 432 F N 1.176 121.128 119.950 0.003 0.000 2.543 432 F HA 0.292 4.819 4.527 -0.000 0.000 0.375 432 F C 0.656 176.461 175.800 0.007 0.000 1.075 432 F CA 0.085 58.085 58.000 -0.000 0.000 1.225 432 F CB 0.529 39.524 39.000 -0.009 0.000 1.099 432 F HN -0.053 nan 8.300 nan 0.000 0.561 433 G N 0.000 108.393 108.800 -0.678 0.000 5.446 433 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 433 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 433 G CA 0.000 44.812 45.100 -0.481 0.000 0.502 433 G HN 0.000 nan 8.290 nan 0.000 0.925