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 2efx_1_D DATA FIRST_RESID 2 DATA SEQUENCE SDLNNAIQGI LDDHVARGVV GVSLALCLPG EETSLYQSGY ADKFNKMPMT DATA SEQUENCE GDHLFRIASC TKSFIATGLH LLVQDGTVDL DEPITRWFPD LPKAAQMPVR DATA SEQUENCE ILLNHRSGLP DFETSMPMIS DKSWTAQEIV DFSFRHGVQK EPWHGMEYSN DATA SEQUENCE TGYVLAGMII AHETGKPYSD HLRSRIFAPL GMKDTWVGTH ETFPIEREAR DATA SEQUENCE GYMHAAXXXX XXXXXXXXAG DPVDGVWDST EWFPLSGANA AGDMVSTPRD DATA SEQUENCE IVKFLNALFD GRILDQKRLW EMKDNIKPAF FPGSNTVANG HGLLLMRYGS DATA SEQUENCE SELKGHLGQI PGHTSIMGRD EETGAALMLI QNSGAGDFES FYLKGVNEPV DATA SEQUENCE DRVLEAIKNS RS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.027 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.209 63.200 0.016 0.000 0.593 3 D N 1.671 122.080 120.400 0.015 0.000 2.178 3 D HA 0.142 4.782 4.640 -0.000 0.000 0.202 3 D C 1.834 178.137 176.300 0.004 0.000 0.974 3 D CA 1.043 55.048 54.000 0.008 0.000 0.841 3 D CB -0.313 40.487 40.800 0.001 0.000 0.953 3 D HN 0.237 nan 8.370 nan 0.000 0.478 4 L N 0.936 122.162 121.223 0.005 0.000 2.017 4 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 4 L C 1.559 178.432 176.870 0.005 0.000 1.073 4 L CA 1.643 56.479 54.840 -0.007 0.000 0.745 4 L CB -0.728 41.328 42.059 -0.004 0.000 0.894 4 L HN -0.059 nan 8.230 nan 0.000 0.432 5 N N 0.340 119.084 118.700 0.073 0.000 2.061 5 N HA -0.217 4.523 4.740 -0.000 0.000 0.193 5 N C 1.610 177.204 175.510 0.140 0.000 1.030 5 N CA 2.027 55.188 53.050 0.186 0.000 0.856 5 N CB -0.714 37.880 38.487 0.179 0.000 1.023 5 N HN 0.574 nan 8.380 nan 0.000 0.424 6 N N 0.490 119.231 118.700 0.068 0.000 2.188 6 N HA -0.019 4.721 4.740 -0.000 0.000 0.184 6 N C 1.779 177.292 175.510 0.004 0.000 1.018 6 N CA 0.959 54.034 53.050 0.043 0.000 0.858 6 N CB -0.070 38.433 38.487 0.027 0.000 0.989 6 N HN 0.218 nan 8.380 nan 0.000 0.426 7 A N 1.387 124.194 122.820 -0.021 0.000 1.877 7 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 7 A C 2.139 179.667 177.584 -0.093 0.000 1.186 7 A CA 1.066 53.074 52.037 -0.050 0.000 0.620 7 A CB -0.684 18.285 19.000 -0.053 0.000 0.822 7 A HN 0.180 nan 8.150 nan 0.000 0.443 8 I N -0.898 119.576 120.570 -0.160 0.000 2.226 8 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 8 I C 2.779 178.740 176.117 -0.260 0.000 1.100 8 I CA 1.724 62.836 61.300 -0.314 0.000 1.374 8 I CB -0.288 37.325 38.000 -0.646 0.000 1.057 8 I HN 0.378 nan 8.210 nan 0.000 0.413 9 Q N 1.299 121.028 119.800 -0.117 0.000 2.030 9 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 9 Q C 2.158 178.153 176.000 -0.007 0.000 0.986 9 Q CA 2.323 58.139 55.803 0.023 0.000 0.843 9 Q CB -0.926 27.881 28.738 0.115 0.000 0.904 9 Q HN 0.483 nan 8.270 nan 0.000 0.420 10 G N 0.220 109.010 108.800 -0.017 0.000 2.440 10 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 10 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 10 G C 1.487 176.374 174.900 -0.022 0.000 1.154 10 G CA 1.022 46.114 45.100 -0.015 0.000 0.767 10 G HN 0.425 nan 8.290 nan 0.000 0.552 11 I N 0.458 120.997 120.570 -0.051 0.000 2.163 11 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 11 I C 2.723 178.825 176.117 -0.025 0.000 1.085 11 I CA 0.848 62.116 61.300 -0.054 0.000 1.347 11 I CB -0.134 37.801 38.000 -0.107 0.000 1.044 11 I HN 0.140 nan 8.210 nan 0.000 0.408 12 L N -0.153 121.046 121.223 -0.040 0.000 2.056 12 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 12 L C 2.174 179.073 176.870 0.050 0.000 1.078 12 L CA 1.215 56.059 54.840 0.007 0.000 0.749 12 L CB -0.915 41.141 42.059 -0.006 0.000 0.901 12 L HN 0.264 nan 8.230 nan 0.000 0.433 13 D N 0.321 120.734 120.400 0.022 0.000 2.123 13 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 13 D C 1.768 178.082 176.300 0.024 0.000 0.992 13 D CA 1.319 55.326 54.000 0.012 0.000 0.833 13 D CB -0.281 40.520 40.800 0.003 0.000 0.954 13 D HN 0.272 nan 8.370 nan 0.000 0.455 14 D N -0.674 119.747 120.400 0.035 0.000 2.117 14 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 14 D C 1.917 178.271 176.300 0.091 0.000 0.987 14 D CA 0.927 54.952 54.000 0.042 0.000 0.829 14 D CB -0.364 40.456 40.800 0.033 0.000 0.961 14 D HN 0.304 nan 8.370 nan 0.000 0.460 15 H N 0.137 119.218 119.070 0.018 0.000 2.353 15 H HA -0.039 4.517 4.556 -0.000 0.000 0.300 15 H C 1.956 177.332 175.328 0.080 0.000 1.090 15 H CA 1.150 57.237 56.048 0.065 0.000 1.327 15 H CB -0.262 29.518 29.762 0.030 0.000 1.383 15 H HN -0.069 nan 8.280 nan 0.000 0.508 16 V N 0.419 120.364 119.914 0.052 0.000 2.407 16 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 16 V C 2.564 178.645 176.094 -0.021 0.000 1.055 16 V CA 1.538 63.827 62.300 -0.019 0.000 1.049 16 V CB -1.104 30.694 31.823 -0.040 0.000 0.662 16 V HN 0.651 nan 8.190 nan 0.000 0.455 17 A N -0.396 122.418 122.820 -0.010 0.000 2.225 17 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 17 A C 2.172 179.747 177.584 -0.014 0.000 1.164 17 A CA 1.100 53.130 52.037 -0.012 0.000 0.710 17 A CB -0.467 18.526 19.000 -0.012 0.000 0.780 17 A HN 0.546 nan 8.150 nan 0.000 0.473 18 R N -1.643 118.848 120.500 -0.015 0.000 2.359 18 R HA 0.244 4.584 4.340 -0.000 0.000 0.231 18 R C 1.192 177.539 176.300 0.078 0.000 0.913 18 R CA 0.557 56.630 56.100 -0.046 0.000 1.075 18 R CB 0.158 30.373 30.300 -0.141 0.000 1.087 18 R HN 0.612 nan 8.270 nan 0.000 0.515 19 G N 0.280 109.157 108.800 0.129 0.000 2.211 19 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.201 19 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.201 19 G C 0.168 175.253 174.900 0.307 0.000 0.997 19 G CA -0.345 44.908 45.100 0.255 0.000 0.652 19 G HN 0.095 nan 8.290 nan 0.000 0.500 20 V N 1.818 121.841 119.914 0.182 0.000 2.585 20 V HA 0.200 4.319 4.120 -0.000 0.000 0.296 20 V C 2.054 178.183 176.094 0.058 0.000 1.035 20 V CA 0.531 62.874 62.300 0.073 0.000 1.084 20 V CB 1.439 33.135 31.823 -0.211 0.000 0.953 20 V HN 0.181 nan 8.190 nan 0.000 0.483 21 V N 4.319 124.291 119.914 0.097 0.000 2.270 21 V HA 0.128 4.248 4.120 -0.000 0.000 0.245 21 V C 1.143 177.242 176.094 0.007 0.000 1.043 21 V CA 2.039 64.345 62.300 0.011 0.000 1.014 21 V CB -0.671 31.114 31.823 -0.063 0.000 0.645 21 V HN 1.036 nan 8.190 nan 0.000 0.447 22 G N -1.894 106.958 108.800 0.087 0.000 2.660 22 G HA2 0.559 4.519 3.960 -0.000 0.000 0.290 22 G HA3 0.559 4.519 3.960 -0.000 0.000 0.290 22 G C -2.142 172.838 174.900 0.132 0.000 1.432 22 G CA 0.025 45.171 45.100 0.076 0.000 0.807 22 G HN 0.180 nan 8.290 nan 0.000 0.485 23 V N -0.429 119.553 119.914 0.113 0.000 2.817 23 V HA 0.795 4.915 4.120 -0.000 0.000 0.303 23 V C -1.018 175.122 176.094 0.077 0.000 1.151 23 V CA -0.398 61.948 62.300 0.078 0.000 0.929 23 V CB 1.976 33.846 31.823 0.078 0.000 1.030 23 V HN 1.204 nan 8.190 nan 0.000 0.427 24 S N 5.947 121.652 115.700 0.008 0.000 2.502 24 S HA 0.858 5.328 4.470 -0.000 0.000 0.304 24 S C -1.370 173.206 174.600 -0.040 0.000 1.097 24 S CA -0.511 57.715 58.200 0.045 0.000 1.045 24 S CB 1.432 64.733 63.200 0.168 0.000 1.019 24 S HN 1.028 nan 8.310 nan 0.000 0.481 25 L N 4.580 125.828 121.223 0.042 0.000 2.408 25 L HA 0.928 5.268 4.340 -0.000 0.000 0.268 25 L C -0.696 176.233 176.870 0.098 0.000 0.986 25 L CA -0.248 54.612 54.840 0.034 0.000 0.820 25 L CB 1.689 43.763 42.059 0.026 0.000 1.303 25 L HN 0.751 nan 8.230 nan 0.000 0.411 26 A N 4.801 127.653 122.820 0.053 0.000 2.331 26 A HA 0.810 5.130 4.320 -0.000 0.000 0.320 26 A C -1.682 175.936 177.584 0.057 0.000 1.138 26 A CA -0.473 51.605 52.037 0.070 0.000 0.790 26 A CB 1.252 20.280 19.000 0.047 0.000 1.206 26 A HN 0.829 nan 8.150 nan 0.000 0.470 27 L N 2.639 123.917 121.223 0.091 0.000 2.438 27 L HA 0.674 5.014 4.340 -0.000 0.000 0.270 27 L C -1.144 175.754 176.870 0.047 0.000 0.972 27 L CA -0.193 54.678 54.840 0.053 0.000 0.831 27 L CB 1.514 43.608 42.059 0.058 0.000 1.273 27 L HN 0.800 nan 8.230 nan 0.000 0.405 28 C N 5.996 125.302 119.300 0.010 0.000 2.379 28 C HA 0.793 5.253 4.460 -0.000 0.000 0.323 28 C C -0.596 174.384 174.990 -0.015 0.000 1.262 28 C CA -0.721 58.300 59.018 0.004 0.000 1.581 28 C CB 0.353 28.094 27.740 0.001 0.000 2.221 28 C HN 0.846 nan 8.230 nan 0.000 0.497 29 L N 6.324 127.542 121.223 -0.008 0.000 2.362 29 L HA 0.529 4.869 4.340 -0.000 0.000 0.271 29 L C -2.199 174.663 176.870 -0.014 0.000 1.002 29 L CA -1.758 53.071 54.840 -0.018 0.000 0.818 29 L CB 1.964 44.016 42.059 -0.012 0.000 1.298 29 L HN 0.446 nan 8.230 nan 0.000 0.420 30 P HA 0.167 nan 4.420 nan 0.000 0.268 30 P C 0.704 178.000 177.300 -0.007 0.000 1.205 30 P CA 0.409 63.502 63.100 -0.012 0.000 0.771 30 P CB 0.872 32.563 31.700 -0.015 0.000 0.858 31 G N 1.157 109.955 108.800 -0.003 0.000 2.176 31 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.253 31 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.253 31 G C -0.067 174.833 174.900 0.000 0.000 0.979 31 G CA 0.394 45.493 45.100 -0.002 0.000 0.641 31 G HN 0.699 nan 8.290 nan 0.000 0.530 32 E N -0.432 119.769 120.200 0.001 0.000 2.433 32 E HA 0.705 5.055 4.350 -0.000 0.000 0.273 32 E C -0.965 175.638 176.600 0.005 0.000 0.950 32 E CA -1.263 55.139 56.400 0.004 0.000 0.796 32 E CB 1.219 30.924 29.700 0.007 0.000 1.330 32 E HN 0.001 nan 8.360 nan 0.000 0.455 33 E N 1.061 121.263 120.200 0.004 0.000 2.366 33 E HA 0.149 4.499 4.350 -0.000 0.000 0.266 33 E C -0.356 176.247 176.600 0.005 0.000 1.051 33 E CA -0.219 56.183 56.400 0.002 0.000 0.884 33 E CB 0.828 30.526 29.700 -0.003 0.000 1.006 33 E HN 0.448 nan 8.360 nan 0.000 0.417 34 T N 1.990 116.548 114.554 0.007 0.000 2.905 34 T HA 0.099 4.449 4.350 -0.000 0.000 0.299 34 T C 0.256 174.954 174.700 -0.004 0.000 1.024 34 T CA 0.315 62.422 62.100 0.012 0.000 1.151 34 T CB 0.224 69.101 68.868 0.016 0.000 0.987 34 T HN 0.201 nan 8.240 nan 0.000 0.535 35 S N 2.446 118.152 115.700 0.009 0.000 2.578 35 S HA 0.667 5.137 4.470 -0.000 0.000 0.301 35 S C -0.289 174.265 174.600 -0.076 0.000 1.091 35 S CA -0.891 57.265 58.200 -0.074 0.000 1.032 35 S CB 0.871 64.033 63.200 -0.063 0.000 1.064 35 S HN 0.464 nan 8.310 nan 0.000 0.508 36 L N 2.291 123.374 121.223 -0.233 0.000 2.342 36 L HA 0.649 4.989 4.340 -0.000 0.000 0.271 36 L C -1.531 175.105 176.870 -0.390 0.000 1.008 36 L CA -0.786 53.968 54.840 -0.143 0.000 0.818 36 L CB 1.213 43.231 42.059 -0.070 0.000 1.296 36 L HN 0.675 nan 8.230 nan 0.000 0.427 37 Y N 0.371 120.673 120.300 0.002 0.000 2.504 37 Y HA 0.530 5.080 4.550 -0.000 0.000 0.344 37 Y C -0.667 175.242 175.900 0.015 0.000 1.023 37 Y CA -0.961 57.140 58.100 0.002 0.000 1.020 37 Y CB 2.388 40.839 38.460 -0.015 0.000 1.282 37 Y HN 0.461 nan 8.280 nan 0.000 0.454 38 Q N 0.827 120.727 119.800 0.165 0.000 2.421 38 Q HA 0.797 5.137 4.340 -0.000 0.000 0.280 38 Q C -1.226 174.828 176.000 0.090 0.000 1.085 38 Q CA -1.022 54.856 55.803 0.126 0.000 0.807 38 Q CB 2.731 31.546 28.738 0.128 0.000 1.405 38 Q HN 0.527 nan 8.270 nan 0.000 0.419 39 S N -0.476 115.258 115.700 0.058 0.000 2.564 39 S HA 0.849 5.319 4.470 -0.000 0.000 0.274 39 S C -0.251 174.308 174.600 -0.068 0.000 1.124 39 S CA 0.345 58.543 58.200 -0.003 0.000 0.869 39 S CB 1.151 64.351 63.200 0.002 0.000 1.105 39 S HN 1.171 nan 8.310 nan 0.000 0.472 40 G N 2.181 110.846 108.800 -0.225 0.000 2.539 40 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.256 40 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.256 40 G C -1.615 173.020 174.900 -0.443 0.000 1.233 40 G CA 0.304 45.100 45.100 -0.507 0.000 0.936 40 G HN 0.864 nan 8.290 nan 0.000 0.571 41 Y N -0.027 120.268 120.300 -0.008 0.000 2.446 41 Y HA 0.706 5.256 4.550 -0.000 0.000 0.345 41 Y C 1.309 177.184 175.900 -0.042 0.000 0.984 41 Y CA -0.100 57.977 58.100 -0.038 0.000 1.058 41 Y CB 1.681 40.085 38.460 -0.094 0.000 1.220 41 Y HN 0.893 nan 8.280 nan 0.000 0.455 42 A N 0.679 123.524 122.820 0.042 0.000 1.930 42 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 42 A C 0.355 177.924 177.584 -0.024 0.000 1.176 42 A CA 1.336 53.247 52.037 -0.211 0.000 0.632 42 A CB -0.014 18.442 19.000 -0.907 0.000 0.819 42 A HN 0.669 nan 8.150 nan 0.000 0.445 43 D N -0.871 119.550 120.400 0.035 0.000 2.469 43 D HA 0.202 4.842 4.640 -0.000 0.000 0.251 43 D C 0.606 176.890 176.300 -0.028 0.000 1.173 43 D CA -0.348 53.706 54.000 0.089 0.000 0.882 43 D CB 1.279 42.111 40.800 0.053 0.000 1.129 43 D HN 0.203 nan 8.370 nan 0.000 0.549 44 K N 2.700 123.023 120.400 -0.129 0.000 2.074 44 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 44 K C 1.110 177.333 176.600 -0.628 0.000 1.048 44 K CA 1.573 57.498 56.287 -0.603 0.000 0.926 44 K CB 0.026 31.694 32.500 -1.386 0.000 0.713 44 K HN 0.356 nan 8.250 nan 0.000 0.444 45 F N 0.360 120.243 119.950 -0.111 0.000 2.569 45 F HA 0.063 4.590 4.527 -0.000 0.000 0.295 45 F C 1.817 177.545 175.800 -0.121 0.000 1.115 45 F CA -0.032 57.902 58.000 -0.110 0.000 1.450 45 F CB 0.015 38.989 39.000 -0.044 0.000 1.107 45 F HN 0.037 nan 8.300 nan 0.000 0.563 46 N N 0.855 119.571 118.700 0.025 0.000 2.457 46 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 46 N C 0.180 175.586 175.510 -0.173 0.000 1.050 46 N CA 0.551 53.577 53.050 -0.041 0.000 0.906 46 N CB -0.272 38.212 38.487 -0.006 0.000 0.968 46 N HN 0.108 nan 8.380 nan 0.000 0.445 47 K N -0.112 120.056 120.400 -0.387 0.000 3.077 47 K HA -0.213 4.107 4.320 -0.000 0.000 0.264 47 K C -0.153 176.205 176.600 -0.403 0.000 1.008 47 K CA 0.216 55.986 56.287 -0.861 0.000 0.740 47 K CB -1.541 30.439 32.500 -0.867 0.000 1.273 47 K HN 0.355 nan 8.250 nan 0.000 0.477 48 M N 1.594 121.107 119.600 -0.144 0.000 2.184 48 M HA 0.142 4.622 4.480 -0.000 0.000 0.351 48 M C -2.236 174.188 176.300 0.205 0.000 1.395 48 M CA -1.562 53.766 55.300 0.048 0.000 1.117 48 M CB 0.610 33.247 32.600 0.061 0.000 1.708 48 M HN -0.183 nan 8.290 nan 0.000 0.468 49 P HA 0.057 nan 4.420 nan 0.000 0.268 49 P C -0.735 176.705 177.300 0.233 0.000 1.205 49 P CA -0.181 63.087 63.100 0.280 0.000 0.771 49 P CB 0.455 32.274 31.700 0.197 0.000 0.858 50 M N 3.732 123.435 119.600 0.172 0.000 2.239 50 M HA 0.202 4.682 4.480 -0.000 0.000 0.348 50 M C 0.175 176.649 176.300 0.291 0.000 1.239 50 M CA 0.979 56.398 55.300 0.198 0.000 1.114 50 M CB -0.161 32.527 32.600 0.146 0.000 1.641 50 M HN 0.482 nan 8.290 nan 0.000 0.453 51 T N 1.058 115.901 114.554 0.482 0.000 2.883 51 T HA 0.695 5.045 4.350 -0.000 0.000 0.284 51 T C 0.835 175.650 174.700 0.191 0.000 1.041 51 T CA -0.498 61.734 62.100 0.220 0.000 1.007 51 T CB 1.233 70.134 68.868 0.055 0.000 1.220 51 T HN 0.659 nan 8.240 nan 0.000 0.552 52 G N -0.475 108.382 108.800 0.096 0.000 2.744 52 G HA2 0.056 4.016 3.960 -0.000 0.000 0.211 52 G HA3 0.056 4.016 3.960 -0.000 0.000 0.211 52 G C 0.705 175.650 174.900 0.075 0.000 1.143 52 G CA 0.157 45.312 45.100 0.093 0.000 0.788 52 G HN 0.764 nan 8.290 nan 0.000 0.534 53 D N -0.269 120.133 120.400 0.003 0.000 2.346 53 D HA 0.034 4.674 4.640 -0.000 0.000 0.206 53 D C 0.362 176.629 176.300 -0.054 0.000 1.001 53 D CA -0.035 53.941 54.000 -0.041 0.000 0.871 53 D CB -0.006 40.732 40.800 -0.103 0.000 0.943 53 D HN 0.252 nan 8.370 nan 0.000 0.518 54 H N 1.013 120.112 119.070 0.048 0.000 2.928 54 H HA 0.094 4.650 4.556 -0.000 0.000 0.338 54 H C 0.730 176.009 175.328 -0.080 0.000 1.047 54 H CA 0.395 56.412 56.048 -0.053 0.000 1.435 54 H CB 0.824 30.507 29.762 -0.132 0.000 1.428 54 H HN 0.008 nan 8.280 nan 0.000 0.590 55 L N 3.716 124.924 121.223 -0.025 0.000 2.379 55 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 55 L C -0.196 176.489 176.870 -0.307 0.000 1.084 55 L CA -0.251 54.580 54.840 -0.014 0.000 0.802 55 L CB 0.572 42.662 42.059 0.052 0.000 1.175 55 L HN 0.366 nan 8.230 nan 0.000 0.448 56 F N -0.446 119.461 119.950 -0.070 0.000 2.599 56 F HA 0.479 5.006 4.527 -0.000 0.000 0.311 56 F C -0.082 175.698 175.800 -0.033 0.000 1.076 56 F CA -0.938 56.959 58.000 -0.171 0.000 0.937 56 F CB 1.720 40.517 39.000 -0.338 0.000 1.282 56 F HN 0.254 nan 8.300 nan 0.000 0.460 57 R N 2.734 123.461 120.500 0.379 0.000 2.296 57 R HA 0.298 4.638 4.340 -0.000 0.000 0.323 57 R C 1.009 177.413 176.300 0.174 0.000 1.067 57 R CA -0.130 56.091 56.100 0.202 0.000 0.946 57 R CB 0.357 30.779 30.300 0.203 0.000 0.991 57 R HN 0.743 nan 8.270 nan 0.000 0.448 58 I N 0.191 120.809 120.570 0.079 0.000 3.578 58 I HA 0.214 4.384 4.170 -0.000 0.000 0.295 58 I C 0.972 177.113 176.117 0.040 0.000 1.280 58 I CA 0.278 61.608 61.300 0.050 0.000 1.347 58 I CB -0.166 37.853 38.000 0.031 0.000 1.051 58 I HN 0.734 nan 8.210 nan 0.000 0.460 59 A N 1.935 124.786 122.820 0.050 0.000 5.391 59 A HA -0.370 3.950 4.320 -0.000 0.000 0.315 59 A C 1.700 179.286 177.584 0.004 0.000 1.874 59 A CA 1.807 53.867 52.037 0.037 0.000 0.714 59 A CB -2.281 16.734 19.000 0.025 0.000 1.335 59 A HN 0.482 nan 8.150 nan 0.000 0.382 60 S N -1.095 114.597 115.700 -0.014 0.000 2.528 60 S HA -0.112 4.358 4.470 -0.000 0.000 0.244 60 S C 1.502 175.874 174.600 -0.381 0.000 0.982 60 S CA 1.315 59.449 58.200 -0.110 0.000 0.953 60 S CB -0.923 62.318 63.200 0.068 0.000 0.754 60 S HN 0.774 nan 8.310 nan 0.000 0.529 61 C N 1.360 120.563 119.300 -0.161 0.000 2.422 61 C HA -0.044 4.416 4.460 -0.000 0.000 0.286 61 C C 2.702 177.697 174.990 0.009 0.000 1.412 61 C CA 0.664 59.629 59.018 -0.089 0.000 1.786 61 C CB -1.739 26.047 27.740 0.077 0.000 1.835 61 C HN 0.594 nan 8.230 nan 0.000 0.533 62 T N 0.910 115.463 114.554 -0.002 0.000 2.759 62 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 62 T C 1.855 176.587 174.700 0.053 0.000 1.042 62 T CA 1.269 63.421 62.100 0.086 0.000 1.140 62 T CB -0.167 68.721 68.868 0.033 0.000 0.864 62 T HN 0.641 nan 8.240 nan 0.000 0.455 63 K N 0.994 121.258 120.400 -0.226 0.000 2.074 63 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 63 K C 2.718 179.291 176.600 -0.045 0.000 1.048 63 K CA 1.549 57.597 56.287 -0.399 0.000 0.926 63 K CB -0.250 31.659 32.500 -0.987 0.000 0.713 63 K HN 0.212 nan 8.250 nan 0.000 0.444 64 S N 0.661 116.344 115.700 -0.029 0.000 2.382 64 S HA -0.103 4.367 4.470 -0.000 0.000 0.228 64 S C 1.742 176.374 174.600 0.053 0.000 1.027 64 S CA 1.286 59.535 58.200 0.080 0.000 0.991 64 S CB -0.303 62.955 63.200 0.097 0.000 0.823 64 S HN 0.197 nan 8.310 nan 0.000 0.469 65 F N 1.416 121.364 119.950 -0.003 0.000 2.113 65 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 65 F C 2.206 178.037 175.800 0.053 0.000 1.103 65 F CA 0.615 58.577 58.000 -0.063 0.000 1.248 65 F CB -0.481 38.423 39.000 -0.161 0.000 0.999 65 F HN 0.150 nan 8.300 nan 0.000 0.475 66 I N 0.358 121.083 120.570 0.257 0.000 2.226 66 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 66 I C 2.660 178.859 176.117 0.136 0.000 1.100 66 I CA 1.566 62.970 61.300 0.173 0.000 1.374 66 I CB -1.748 36.349 38.000 0.162 0.000 1.057 66 I HN 0.111 nan 8.210 nan 0.000 0.413 67 A N 0.536 123.483 122.820 0.210 0.000 1.877 67 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 67 A C 2.422 180.055 177.584 0.083 0.000 1.186 67 A CA 2.526 54.614 52.037 0.085 0.000 0.620 67 A CB -1.156 17.998 19.000 0.256 0.000 0.822 67 A HN 0.414 nan 8.150 nan 0.000 0.443 68 T N -0.054 114.640 114.554 0.232 0.000 2.665 68 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 68 T C 1.972 176.793 174.700 0.202 0.000 1.035 68 T CA 1.703 63.956 62.100 0.254 0.000 1.151 68 T CB -0.842 68.192 68.868 0.275 0.000 0.862 68 T HN 0.624 nan 8.240 nan 0.000 0.438 69 G N 1.198 110.112 108.800 0.191 0.000 2.469 69 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 69 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 69 G C 1.503 176.552 174.900 0.248 0.000 1.150 69 G CA 0.820 46.094 45.100 0.289 0.000 0.763 69 G HN 0.395 nan 8.290 nan 0.000 0.561 70 L N -0.004 121.236 121.223 0.028 0.000 2.072 70 L HA 0.071 4.411 4.340 -0.000 0.000 0.205 70 L C 2.611 179.440 176.870 -0.068 0.000 1.079 70 L CA 1.517 56.291 54.840 -0.110 0.000 0.752 70 L CB -0.723 41.178 42.059 -0.264 0.000 0.906 70 L HN 0.263 nan 8.230 nan 0.000 0.436 71 H N -0.572 118.531 119.070 0.055 0.000 2.422 71 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 71 H C 2.300 177.668 175.328 0.067 0.000 1.098 71 H CA 1.781 57.859 56.048 0.050 0.000 1.315 71 H CB -0.238 29.551 29.762 0.045 0.000 1.382 71 H HN 0.338 nan 8.280 nan 0.000 0.523 72 L N 0.080 121.429 121.223 0.210 0.000 2.093 72 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 72 L C 2.593 179.557 176.870 0.157 0.000 1.085 72 L CA 0.692 55.635 54.840 0.172 0.000 0.755 72 L CB -0.397 41.766 42.059 0.174 0.000 0.904 72 L HN 0.161 nan 8.230 nan 0.000 0.435 73 L N -1.143 120.169 121.223 0.148 0.000 2.093 73 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 73 L C 2.508 179.428 176.870 0.085 0.000 1.085 73 L CA 0.668 55.561 54.840 0.088 0.000 0.755 73 L CB -0.496 41.566 42.059 0.005 0.000 0.904 73 L HN 0.069 nan 8.230 nan 0.000 0.435 74 V N 0.549 120.519 119.914 0.092 0.000 2.261 74 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 74 V C 2.582 178.731 176.094 0.091 0.000 1.047 74 V CA 2.268 64.628 62.300 0.100 0.000 1.015 74 V CB -0.772 31.129 31.823 0.131 0.000 0.642 74 V HN 0.668 nan 8.190 nan 0.000 0.446 75 Q N -0.454 119.402 119.800 0.094 0.000 2.291 75 Q HA -0.217 4.123 4.340 -0.000 0.000 0.205 75 Q C 1.454 177.491 176.000 0.061 0.000 0.970 75 Q CA 1.768 57.613 55.803 0.070 0.000 0.876 75 Q CB -0.433 28.342 28.738 0.061 0.000 0.935 75 Q HN 0.494 nan 8.270 nan 0.000 0.455 76 D N 0.780 121.222 120.400 0.071 0.000 2.264 76 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 76 D C 1.153 177.486 176.300 0.056 0.000 0.966 76 D CA 1.543 55.581 54.000 0.063 0.000 0.864 76 D CB 0.105 40.951 40.800 0.076 0.000 0.933 76 D HN 0.601 nan 8.370 nan 0.000 0.499 77 G N -0.340 108.497 108.800 0.061 0.000 2.176 77 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.232 77 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.232 77 G C 1.172 176.110 174.900 0.064 0.000 0.986 77 G CA 0.909 46.043 45.100 0.056 0.000 0.643 77 G HN 0.420 nan 8.290 nan 0.000 0.522 78 T N -2.297 112.304 114.554 0.077 0.000 3.065 78 T HA 0.565 4.915 4.350 -0.000 0.000 0.252 78 T C 0.647 175.436 174.700 0.148 0.000 1.099 78 T CA 0.774 62.931 62.100 0.094 0.000 1.063 78 T CB 0.874 69.796 68.868 0.090 0.000 0.948 78 T HN 0.779 nan 8.240 nan 0.000 0.506 79 V N 1.782 121.784 119.914 0.146 0.000 2.735 79 V HA 0.597 4.717 4.120 -0.000 0.000 0.310 79 V C -1.386 174.797 176.094 0.148 0.000 1.061 79 V CA -1.118 61.302 62.300 0.200 0.000 0.913 79 V CB 2.003 33.911 31.823 0.142 0.000 1.005 79 V HN 0.326 nan 8.190 nan 0.000 0.428 80 D N 2.698 123.201 120.400 0.172 0.000 2.391 80 D HA 0.403 5.043 4.640 -0.000 0.000 0.245 80 D C 0.793 177.172 176.300 0.131 0.000 1.069 80 D CA -0.460 53.616 54.000 0.127 0.000 0.831 80 D CB 1.997 42.862 40.800 0.109 0.000 1.204 80 D HN 0.368 nan 8.370 nan 0.000 0.503 81 L N 2.195 123.480 121.223 0.103 0.000 2.261 81 L HA -0.092 4.248 4.340 -0.000 0.000 0.216 81 L C 0.980 177.919 176.870 0.114 0.000 1.114 81 L CA 0.977 55.870 54.840 0.088 0.000 0.777 81 L CB 0.010 42.111 42.059 0.069 0.000 0.910 81 L HN 0.426 nan 8.230 nan 0.000 0.440 82 D N -0.545 119.928 120.400 0.122 0.000 2.369 82 D HA 0.016 4.656 4.640 -0.000 0.000 0.211 82 D C 0.557 176.940 176.300 0.137 0.000 1.077 82 D CA 0.100 54.181 54.000 0.136 0.000 0.842 82 D CB 0.310 41.177 40.800 0.111 0.000 0.947 82 D HN 0.547 nan 8.370 nan 0.000 0.509 83 E N 2.135 122.422 120.200 0.144 0.000 2.343 83 E HA 0.281 4.631 4.350 -0.000 0.000 0.269 83 E C -2.525 174.181 176.600 0.178 0.000 1.047 83 E CA -1.861 54.621 56.400 0.137 0.000 0.874 83 E CB 0.914 30.687 29.700 0.122 0.000 1.033 83 E HN -0.163 nan 8.360 nan 0.000 0.409 84 P HA -0.004 nan 4.420 nan 0.000 0.272 84 P C 0.736 178.169 177.300 0.223 0.000 1.223 84 P CA -0.101 63.094 63.100 0.158 0.000 0.784 84 P CB 0.622 32.383 31.700 0.101 0.000 0.923 85 I N -0.745 120.006 120.570 0.303 0.000 3.564 85 I HA -0.063 4.107 4.170 -0.000 0.000 0.294 85 I C 1.545 177.861 176.117 0.331 0.000 1.289 85 I CA 0.525 62.128 61.300 0.504 0.000 1.325 85 I CB -1.289 37.033 38.000 0.537 0.000 1.039 85 I HN 0.223 nan 8.210 nan 0.000 0.474 86 T N -0.072 114.576 114.554 0.157 0.000 2.721 86 T HA -0.306 4.044 4.350 -0.000 0.000 0.268 86 T C 1.970 176.596 174.700 -0.123 0.000 1.038 86 T CA 1.870 63.995 62.100 0.041 0.000 1.145 86 T CB -0.652 68.223 68.868 0.012 0.000 0.858 86 T HN 0.556 nan 8.240 nan 0.000 0.459 87 R N -0.210 120.115 120.500 -0.292 0.000 2.113 87 R HA -0.142 4.198 4.340 -0.000 0.000 0.244 87 R C 2.202 178.040 176.300 -0.769 0.000 1.142 87 R CA 2.277 57.974 56.100 -0.671 0.000 0.953 87 R CB -0.299 29.248 30.300 -1.255 0.000 0.860 87 R HN 0.625 nan 8.270 nan 0.000 0.438 88 W N -1.263 119.737 121.300 -0.499 0.000 2.640 88 W HA 0.147 4.807 4.660 -0.000 0.000 0.271 88 W C 0.061 176.031 176.519 -0.915 0.000 1.218 88 W CA -0.153 56.639 57.345 -0.923 0.000 1.382 88 W CB 0.159 28.756 29.460 -1.439 0.000 1.067 88 W HN -0.053 nan 8.180 nan 0.000 0.590 89 F N 1.398 121.439 119.950 0.152 0.000 2.471 89 F HA 0.322 4.849 4.527 -0.000 0.000 0.318 89 F C -1.600 174.213 175.800 0.022 0.000 1.308 89 F CA -2.721 55.322 58.000 0.072 0.000 1.162 89 F CB -0.409 38.641 39.000 0.083 0.000 1.383 89 F HN -0.315 nan 8.300 nan 0.000 0.552 90 P HA -0.153 nan 4.420 nan 0.000 0.218 90 P C 0.525 177.850 177.300 0.041 0.000 1.148 90 P CA 1.497 64.615 63.100 0.029 0.000 0.822 90 P CB 0.474 32.161 31.700 -0.020 0.000 0.784 91 D N -0.661 119.766 120.400 0.044 0.000 2.340 91 D HA 0.096 4.736 4.640 -0.000 0.000 0.217 91 D C 0.624 176.902 176.300 -0.037 0.000 1.081 91 D CA -0.172 53.830 54.000 0.004 0.000 0.842 91 D CB 0.071 40.866 40.800 -0.009 0.000 0.934 91 D HN 0.185 nan 8.370 nan 0.000 0.511 92 L N 2.023 123.246 121.223 0.001 0.000 2.319 92 L HA 0.289 4.629 4.340 -0.000 0.000 0.280 92 L C -2.437 174.401 176.870 -0.054 0.000 1.099 92 L CA -1.320 53.460 54.840 -0.099 0.000 0.828 92 L CB 0.784 42.834 42.059 -0.015 0.000 1.150 92 L HN -0.308 nan 8.230 nan 0.000 0.442 93 P HA 0.067 nan 4.420 nan 0.000 0.264 93 P C -0.674 176.690 177.300 0.107 0.000 1.193 93 P CA 0.124 63.239 63.100 0.024 0.000 0.763 93 P CB 0.344 32.089 31.700 0.074 0.000 0.810 94 K N 1.183 121.635 120.400 0.088 0.000 3.407 94 K HA -0.271 4.049 4.320 -0.000 0.000 0.312 94 K C 1.208 177.868 176.600 0.100 0.000 1.302 94 K CA 0.677 57.021 56.287 0.094 0.000 0.931 94 K CB -2.029 30.531 32.500 0.101 0.000 1.257 94 K HN 0.514 nan 8.250 nan 0.000 0.454 95 A N 0.937 123.818 122.820 0.102 0.000 1.940 95 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 95 A C 2.401 180.057 177.584 0.120 0.000 1.176 95 A CA 2.110 54.224 52.037 0.127 0.000 0.631 95 A CB -0.491 18.599 19.000 0.150 0.000 0.814 95 A HN 0.582 nan 8.150 nan 0.000 0.446 96 A N -1.064 121.813 122.820 0.095 0.000 2.070 96 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 96 A C 1.808 179.456 177.584 0.107 0.000 1.159 96 A CA 1.615 53.705 52.037 0.088 0.000 0.656 96 A CB -0.317 18.722 19.000 0.066 0.000 0.800 96 A HN 0.604 nan 8.150 nan 0.000 0.453 97 Q N -0.886 118.984 119.800 0.116 0.000 2.212 97 Q HA 0.385 4.725 4.340 -0.000 0.000 0.213 97 Q C -0.464 175.627 176.000 0.151 0.000 0.874 97 Q CA 0.180 56.072 55.803 0.149 0.000 0.965 97 Q CB 0.341 29.170 28.738 0.152 0.000 1.074 97 Q HN 0.595 nan 8.270 nan 0.000 0.473 98 M N 2.471 122.146 119.600 0.126 0.000 2.006 98 M HA 0.363 4.843 4.480 -0.000 0.000 0.314 98 M C -2.471 173.907 176.300 0.130 0.000 0.926 98 M CA -2.071 53.279 55.300 0.083 0.000 0.906 98 M CB 1.505 34.140 32.600 0.057 0.000 1.422 98 M HN -0.139 nan 8.290 nan 0.000 0.397 99 P HA 0.065 nan 4.420 nan 0.000 0.271 99 P C 0.842 178.214 177.300 0.120 0.000 1.233 99 P CA -0.299 62.909 63.100 0.181 0.000 0.789 99 P CB 1.246 33.101 31.700 0.259 0.000 0.951 100 V N 2.372 122.361 119.914 0.125 0.000 2.287 100 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 100 V C 2.888 178.969 176.094 -0.021 0.000 1.053 100 V CA 2.743 65.067 62.300 0.040 0.000 1.027 100 V CB -1.375 30.465 31.823 0.029 0.000 0.646 100 V HN 0.684 nan 8.190 nan 0.000 0.447 101 R N 0.703 121.229 120.500 0.043 0.000 2.133 101 R HA -0.222 4.118 4.340 -0.000 0.000 0.247 101 R C 2.201 178.542 176.300 0.069 0.000 1.151 101 R CA 2.415 58.574 56.100 0.099 0.000 0.971 101 R CB -0.921 29.467 30.300 0.148 0.000 0.866 101 R HN 0.475 nan 8.270 nan 0.000 0.447 102 I N 1.098 121.634 120.570 -0.058 0.000 2.614 102 I HA -0.174 3.996 4.170 -0.000 0.000 0.258 102 I C 1.824 177.778 176.117 -0.272 0.000 1.189 102 I CA 0.895 62.023 61.300 -0.288 0.000 1.462 102 I CB 0.091 37.806 38.000 -0.475 0.000 1.092 102 I HN 0.272 nan 8.210 nan 0.000 0.442 103 L N -0.206 120.876 121.223 -0.234 0.000 2.291 103 L HA -0.145 4.195 4.340 -0.000 0.000 0.214 103 L C 1.944 178.493 176.870 -0.535 0.000 1.120 103 L CA 0.880 55.525 54.840 -0.325 0.000 0.799 103 L CB -0.228 41.649 42.059 -0.303 0.000 0.925 103 L HN 0.285 nan 8.230 nan 0.000 0.446 104 L N -0.332 120.628 121.223 -0.438 0.000 2.609 104 L HA 0.071 4.411 4.340 -0.000 0.000 0.230 104 L C 1.437 178.113 176.870 -0.323 0.000 1.087 104 L CA 0.048 54.589 54.840 -0.497 0.000 0.874 104 L CB -0.098 41.821 42.059 -0.234 0.000 1.114 104 L HN 0.355 nan 8.230 nan 0.000 0.488 105 N N -2.028 116.479 118.700 -0.321 0.000 2.203 105 N HA -0.084 4.656 4.740 -0.000 0.000 0.207 105 N C 0.450 175.866 175.510 -0.156 0.000 1.130 105 N CA -0.224 52.644 53.050 -0.302 0.000 0.861 105 N CB -0.185 38.085 38.487 -0.361 0.000 1.005 105 N HN 0.186 nan 8.380 nan 0.000 0.507 106 H N -0.248 118.762 119.070 -0.099 0.000 2.958 106 H HA -0.120 4.436 4.556 -0.000 0.000 0.274 106 H C -0.147 175.121 175.328 -0.098 0.000 1.184 106 H CA 1.018 57.014 56.048 -0.086 0.000 1.143 106 H CB -1.420 28.309 29.762 -0.054 0.000 1.297 106 H HN 0.526 nan 8.280 nan 0.000 0.356 107 R N 0.301 120.719 120.500 -0.136 0.000 2.509 107 R HA 0.121 4.461 4.340 -0.000 0.000 0.300 107 R C 1.801 177.920 176.300 -0.302 0.000 0.985 107 R CA 0.720 56.680 56.100 -0.234 0.000 1.092 107 R CB 0.568 30.732 30.300 -0.227 0.000 1.237 107 R HN 0.312 nan 8.270 nan 0.000 0.546 108 S N -0.071 115.499 115.700 -0.218 0.000 2.383 108 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 108 S C 1.677 176.262 174.600 -0.026 0.000 1.026 108 S CA 1.081 59.164 58.200 -0.194 0.000 0.981 108 S CB -0.066 63.044 63.200 -0.151 0.000 0.818 108 S HN 0.468 nan 8.310 nan 0.000 0.472 109 G N 0.755 109.618 108.800 0.103 0.000 2.157 109 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 109 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 109 G C -0.025 174.826 174.900 -0.081 0.000 0.979 109 G CA 0.184 45.299 45.100 0.024 0.000 0.650 109 G HN 0.559 nan 8.290 nan 0.000 0.529 110 L N 2.603 123.784 121.223 -0.069 0.000 2.490 110 L HA 0.280 4.620 4.340 -0.000 0.000 0.274 110 L C -1.031 175.708 176.870 -0.218 0.000 1.201 110 L CA -1.374 53.379 54.840 -0.144 0.000 0.869 110 L CB 0.374 42.383 42.059 -0.083 0.000 1.123 110 L HN 0.044 nan 8.230 nan 0.000 0.484 111 P HA 0.066 nan 4.420 nan 0.000 0.271 111 P C -1.199 175.987 177.300 -0.191 0.000 1.216 111 P CA -0.249 62.645 63.100 -0.342 0.000 0.771 111 P CB 1.107 32.476 31.700 -0.552 0.000 0.864 112 D N 1.082 121.432 120.400 -0.084 0.000 2.228 112 D HA 0.355 4.995 4.640 -0.000 0.000 0.247 112 D C 0.654 176.995 176.300 0.068 0.000 0.995 112 D CA -0.554 53.433 54.000 -0.021 0.000 0.903 112 D CB 0.717 41.470 40.800 -0.078 0.000 1.205 112 D HN 0.328 nan 8.370 nan 0.000 0.459 113 F N 0.967 120.967 119.950 0.083 0.000 2.622 113 F HA 0.233 4.760 4.527 0.000 0.000 0.288 113 F C 1.924 177.824 175.800 0.167 0.000 1.120 113 F CA 0.075 58.181 58.000 0.176 0.000 1.423 113 F CB -0.614 38.530 39.000 0.241 0.000 1.127 113 F HN 0.362 nan 8.300 nan 0.000 0.588 114 E N 1.342 121.259 120.200 -0.470 0.000 2.097 114 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 114 E C 1.765 178.368 176.600 0.004 0.000 1.000 114 E CA 2.428 58.688 56.400 -0.233 0.000 0.804 114 E CB -1.391 28.102 29.700 -0.345 0.000 0.740 114 E HN 0.309 nan 8.360 nan 0.000 0.454 115 T N -0.467 114.087 114.554 0.000 0.000 2.833 115 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 115 T C 1.676 176.422 174.700 0.077 0.000 1.054 115 T CA 1.488 63.610 62.100 0.036 0.000 1.135 115 T CB -0.290 68.590 68.868 0.020 0.000 0.869 115 T HN 0.249 nan 8.240 nan 0.000 0.466 116 S N 0.376 116.156 115.700 0.134 0.000 2.528 116 S HA 0.296 4.766 4.470 -0.000 0.000 0.219 116 S C 0.734 175.516 174.600 0.304 0.000 0.985 116 S CA 0.043 58.326 58.200 0.139 0.000 0.914 116 S CB 0.003 63.196 63.200 -0.010 0.000 0.776 116 S HN 0.429 nan 8.310 nan 0.000 0.526 117 M N 2.701 122.509 119.600 0.347 0.000 2.238 117 M HA 0.209 4.689 4.480 -0.000 0.000 0.347 117 M C -2.510 173.931 176.300 0.235 0.000 1.173 117 M CA -1.514 53.964 55.300 0.297 0.000 1.147 117 M CB -0.240 32.549 32.600 0.314 0.000 1.547 117 M HN -0.126 nan 8.290 nan 0.000 0.455 118 P HA 0.078 nan 4.420 nan 0.000 0.271 118 P C 0.670 178.078 177.300 0.181 0.000 1.216 118 P CA -0.193 62.983 63.100 0.128 0.000 0.771 118 P CB 0.578 32.325 31.700 0.077 0.000 0.864 119 M N 1.863 121.531 119.600 0.113 0.000 2.080 119 M HA -0.072 4.408 4.480 -0.000 0.000 0.260 119 M C 0.738 177.120 176.300 0.137 0.000 1.068 119 M CA 1.840 57.233 55.300 0.154 0.000 1.109 119 M CB -0.331 32.284 32.600 0.024 0.000 1.342 119 M HN 0.309 nan 8.290 nan 0.000 0.405 120 I N -0.471 120.033 120.570 -0.110 0.000 2.354 120 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 120 I C -0.050 176.001 176.117 -0.110 0.000 0.989 120 I CA -0.377 60.797 61.300 -0.210 0.000 1.188 120 I CB 1.737 39.378 38.000 -0.597 0.000 1.342 120 I HN -0.010 nan 8.210 nan 0.000 0.457 121 S N 3.340 119.004 115.700 -0.060 0.000 2.558 121 S HA 0.287 4.757 4.470 -0.000 0.000 0.277 121 S C -0.740 173.829 174.600 -0.052 0.000 1.143 121 S CA -0.577 57.592 58.200 -0.053 0.000 0.865 121 S CB 1.717 64.904 63.200 -0.022 0.000 1.102 121 S HN 0.669 nan 8.310 nan 0.000 0.454 122 D N 1.308 121.669 120.400 -0.065 0.000 2.449 122 D HA 0.147 4.787 4.640 -0.000 0.000 0.210 122 D C 0.233 176.479 176.300 -0.090 0.000 1.094 122 D CA 0.026 53.987 54.000 -0.065 0.000 0.846 122 D CB 0.433 41.192 40.800 -0.067 0.000 1.003 122 D HN 0.474 nan 8.370 nan 0.000 0.504 123 K N 1.317 121.643 120.400 -0.123 0.000 2.489 123 K HA 0.029 4.349 4.320 -0.000 0.000 0.278 123 K C 0.059 176.536 176.600 -0.206 0.000 1.000 123 K CA 0.196 56.338 56.287 -0.242 0.000 1.012 123 K CB 0.651 32.902 32.500 -0.415 0.000 0.903 123 K HN -0.197 nan 8.250 nan 0.000 0.485 124 S N 3.365 118.918 115.700 -0.245 0.000 2.537 124 S HA 0.387 4.857 4.470 -0.000 0.000 0.275 124 S C -1.382 173.075 174.600 -0.238 0.000 1.272 124 S CA -0.690 57.424 58.200 -0.143 0.000 1.050 124 S CB 0.266 63.399 63.200 -0.112 0.000 0.961 124 S HN 0.496 nan 8.310 nan 0.000 0.496 125 W N 1.329 122.549 121.300 -0.134 0.000 2.882 125 W HA 0.519 5.179 4.660 -0.000 0.000 0.345 125 W C 0.163 176.625 176.519 -0.095 0.000 1.125 125 W CA -0.551 56.713 57.345 -0.135 0.000 1.167 125 W CB 1.653 31.001 29.460 -0.187 0.000 1.431 125 W HN 0.391 nan 8.180 nan 0.000 0.543 126 T N 0.750 115.433 114.554 0.215 0.000 2.912 126 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 126 T C 0.931 175.724 174.700 0.154 0.000 1.030 126 T CA 0.039 62.225 62.100 0.144 0.000 1.020 126 T CB 1.648 70.577 68.868 0.102 0.000 1.056 126 T HN 0.524 nan 8.240 nan 0.000 0.480 127 A N 1.885 124.794 122.820 0.147 0.000 1.865 127 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 127 A C 2.121 179.764 177.584 0.098 0.000 1.191 127 A CA 2.081 54.193 52.037 0.124 0.000 0.623 127 A CB -0.860 18.254 19.000 0.191 0.000 0.826 127 A HN 0.736 nan 8.150 nan 0.000 0.444 128 Q N 0.022 119.896 119.800 0.123 0.000 2.124 128 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 128 Q C 1.939 178.017 176.000 0.130 0.000 0.977 128 Q CA 2.345 58.217 55.803 0.114 0.000 0.850 128 Q CB -0.389 28.419 28.738 0.116 0.000 0.901 128 Q HN 0.807 nan 8.270 nan 0.000 0.429 129 E N -0.458 119.835 120.200 0.155 0.000 2.077 129 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 129 E C 1.860 178.654 176.600 0.323 0.000 0.989 129 E CA 1.400 57.935 56.400 0.224 0.000 0.800 129 E CB -0.290 29.528 29.700 0.197 0.000 0.746 129 E HN 0.542 nan 8.360 nan 0.000 0.452 130 I N 0.527 121.202 120.570 0.175 0.000 2.226 130 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 130 I C 2.376 178.506 176.117 0.021 0.000 1.100 130 I CA 0.814 62.031 61.300 -0.138 0.000 1.374 130 I CB -0.156 37.505 38.000 -0.564 0.000 1.057 130 I HN 0.104 nan 8.210 nan 0.000 0.413 131 V N 0.840 120.803 119.914 0.082 0.000 2.295 131 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 131 V C 2.086 178.373 176.094 0.321 0.000 1.049 131 V CA 2.090 64.505 62.300 0.191 0.000 1.024 131 V CB -0.698 31.188 31.823 0.106 0.000 0.648 131 V HN 0.403 nan 8.190 nan 0.000 0.447 132 D N -0.448 120.105 120.400 0.256 0.000 2.104 132 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 132 D C 1.898 178.394 176.300 0.327 0.000 0.994 132 D CA 1.352 55.504 54.000 0.253 0.000 0.830 132 D CB -0.476 40.435 40.800 0.186 0.000 0.959 132 D HN 0.410 nan 8.370 nan 0.000 0.452 133 F N 1.890 121.983 119.950 0.239 0.000 2.091 133 F HA -0.281 4.246 4.527 -0.000 0.000 0.299 133 F C 2.455 178.430 175.800 0.292 0.000 1.103 133 F CA 1.533 59.717 58.000 0.307 0.000 1.228 133 F CB -0.228 38.996 39.000 0.375 0.000 0.984 133 F HN -0.144 nan 8.300 nan 0.000 0.477 134 S N 0.100 116.015 115.700 0.358 0.000 2.359 134 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 134 S C 1.876 176.473 174.600 -0.006 0.000 1.035 134 S CA 1.686 60.011 58.200 0.207 0.000 1.018 134 S CB -0.896 62.450 63.200 0.242 0.000 0.876 134 S HN 0.364 nan 8.310 nan 0.000 0.448 135 F N 1.534 121.511 119.950 0.045 0.000 2.234 135 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 135 F C 2.566 178.323 175.800 -0.072 0.000 1.087 135 F CA 0.978 58.975 58.000 -0.005 0.000 1.340 135 F CB -0.225 38.778 39.000 0.005 0.000 1.031 135 F HN 0.062 nan 8.300 nan 0.000 0.500 136 R N -0.704 119.806 120.500 0.016 0.000 2.075 136 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 136 R C 1.772 177.819 176.300 -0.422 0.000 1.126 136 R CA 1.672 57.629 56.100 -0.239 0.000 0.963 136 R CB -0.230 29.850 30.300 -0.366 0.000 0.858 136 R HN 0.321 nan 8.270 nan 0.000 0.435 137 H N -1.840 117.105 119.070 -0.209 0.000 2.855 137 H HA 0.232 4.788 4.556 -0.000 0.000 0.259 137 H C 0.703 175.944 175.328 -0.144 0.000 0.972 137 H CA 0.588 56.502 56.048 -0.224 0.000 1.213 137 H CB 0.617 30.128 29.762 -0.418 0.000 1.451 137 H HN 0.233 nan 8.280 nan 0.000 0.484 138 G N 0.880 109.653 108.800 -0.044 0.000 2.522 138 G HA2 0.416 4.376 3.960 -0.000 0.000 0.304 138 G HA3 0.416 4.376 3.960 -0.000 0.000 0.304 138 G C -0.500 174.337 174.900 -0.105 0.000 1.210 138 G CA -0.323 44.734 45.100 -0.071 0.000 0.960 138 G HN -0.005 nan 8.290 nan 0.000 0.497 139 V N 0.237 120.087 119.914 -0.106 0.000 2.427 139 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 139 V C 0.140 176.140 176.094 -0.158 0.000 1.034 139 V CA -0.553 61.682 62.300 -0.109 0.000 0.893 139 V CB 1.338 33.112 31.823 -0.082 0.000 0.982 139 V HN 0.769 nan 8.190 nan 0.000 0.452 140 Q N 4.337 124.048 119.800 -0.148 0.000 2.278 140 Q HA 0.457 4.797 4.340 -0.000 0.000 0.257 140 Q C -0.642 175.287 176.000 -0.119 0.000 0.928 140 Q CA -0.505 55.205 55.803 -0.154 0.000 0.932 140 Q CB 1.179 29.849 28.738 -0.113 0.000 1.221 140 Q HN 0.690 nan 8.270 nan 0.000 0.434 141 K N 1.950 122.247 120.400 -0.171 0.000 2.245 141 K HA 0.343 4.663 4.320 -0.000 0.000 0.234 141 K C -0.613 175.943 176.600 -0.074 0.000 1.021 141 K CA -1.004 55.167 56.287 -0.193 0.000 0.898 141 K CB 0.944 33.135 32.500 -0.515 0.000 1.163 141 K HN 0.541 nan 8.250 nan 0.000 0.459 142 E N 2.007 122.207 120.200 0.001 0.000 2.392 142 E HA 0.095 4.445 4.350 -0.000 0.000 0.264 142 E C -2.362 174.334 176.600 0.159 0.000 1.024 142 E CA -1.833 54.623 56.400 0.094 0.000 0.903 142 E CB 0.118 29.893 29.700 0.126 0.000 0.963 142 E HN 0.215 nan 8.360 nan 0.000 0.432 143 P HA -0.151 nan 4.420 nan 0.000 0.261 143 P C -0.543 176.857 177.300 0.167 0.000 1.173 143 P CA 0.693 63.803 63.100 0.017 0.000 0.760 143 P CB 0.045 31.760 31.700 0.025 0.000 0.783 144 W N 0.124 121.475 121.300 0.085 0.000 3.160 144 W HA -0.262 4.398 4.660 -0.000 0.000 0.299 144 W C 1.420 177.926 176.519 -0.022 0.000 1.141 144 W CA 0.887 58.237 57.345 0.008 0.000 0.612 144 W CB -3.058 26.420 29.460 0.029 0.000 2.186 144 W HN 0.664 nan 8.180 nan 0.000 1.364 145 H N -0.478 118.690 119.070 0.163 0.000 2.518 145 H HA 0.360 4.916 4.556 -0.000 0.000 0.289 145 H C 1.461 176.850 175.328 0.101 0.000 1.051 145 H CA 1.623 57.738 56.048 0.111 0.000 1.280 145 H CB -0.141 29.656 29.762 0.059 0.000 1.380 145 H HN 0.402 nan 8.280 nan 0.000 0.566 146 G N -0.718 107.754 108.800 -0.547 0.000 2.346 146 G HA2 0.087 4.047 3.960 -0.000 0.000 0.294 146 G HA3 0.087 4.047 3.960 -0.000 0.000 0.294 146 G C -1.504 173.076 174.900 -0.535 0.000 1.294 146 G CA -0.430 44.441 45.100 -0.381 0.000 0.962 146 G HN 0.313 nan 8.290 nan 0.000 0.508 147 M N 1.326 120.820 119.600 -0.176 0.000 2.157 147 M HA 0.653 5.133 4.480 -0.000 0.000 0.354 147 M C -0.539 175.811 176.300 0.082 0.000 1.170 147 M CA -0.193 55.082 55.300 -0.042 0.000 1.060 147 M CB 0.733 33.357 32.600 0.040 0.000 1.615 147 M HN 0.703 nan 8.290 nan 0.000 0.460 148 E N 4.696 124.992 120.200 0.161 0.000 2.281 148 E HA 0.143 4.493 4.350 -0.000 0.000 0.266 148 E C -1.786 174.934 176.600 0.201 0.000 0.893 148 E CA -0.581 55.944 56.400 0.209 0.000 0.798 148 E CB 1.390 31.242 29.700 0.254 0.000 1.245 148 E HN 0.647 nan 8.360 nan 0.000 0.410 149 Y N 3.420 123.722 120.300 0.004 0.000 2.887 149 Y HA -0.097 4.453 4.550 -0.000 0.000 0.350 149 Y C -0.278 175.696 175.900 0.125 0.000 1.294 149 Y CA 1.186 59.251 58.100 -0.058 0.000 1.622 149 Y CB 0.441 38.776 38.460 -0.209 0.000 1.201 149 Y HN 0.292 nan 8.280 nan 0.000 0.546 150 S N 6.182 121.955 115.700 0.123 0.000 2.566 150 S HA 0.310 4.780 4.470 -0.000 0.000 0.324 150 S C 0.539 175.147 174.600 0.013 0.000 1.081 150 S CA -0.913 57.325 58.200 0.064 0.000 1.105 150 S CB 0.322 63.554 63.200 0.053 0.000 0.981 150 S HN 0.859 nan 8.310 nan 0.000 0.464 151 N N 3.163 121.855 118.700 -0.014 0.000 2.216 151 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 151 N C 1.412 177.072 175.510 0.249 0.000 1.017 151 N CA 1.332 54.402 53.050 0.033 0.000 0.861 151 N CB -0.379 37.912 38.487 -0.327 0.000 0.986 151 N HN 0.613 nan 8.380 nan 0.000 0.428 152 T N 0.388 115.080 114.554 0.231 0.000 2.759 152 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 152 T C 1.947 176.710 174.700 0.105 0.000 1.042 152 T CA 1.431 63.693 62.100 0.269 0.000 1.140 152 T CB -0.618 68.356 68.868 0.177 0.000 0.864 152 T HN 0.379 nan 8.240 nan 0.000 0.455 153 G N -0.279 108.541 108.800 0.032 0.000 2.422 153 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 153 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 153 G C 1.191 175.978 174.900 -0.188 0.000 1.146 153 G CA 0.371 45.404 45.100 -0.111 0.000 0.769 153 G HN 0.494 nan 8.290 nan 0.000 0.547 154 Y N 0.239 120.480 120.300 -0.098 0.000 2.395 154 Y HA 0.031 4.581 4.550 -0.000 0.000 0.293 154 Y C 2.897 178.745 175.900 -0.087 0.000 1.123 154 Y CA 0.405 58.445 58.100 -0.100 0.000 1.227 154 Y CB -0.021 38.390 38.460 -0.082 0.000 1.012 154 Y HN 0.048 nan 8.280 nan 0.000 0.552 155 V N -0.161 119.818 119.914 0.108 0.000 2.427 155 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 155 V C 2.134 178.211 176.094 -0.027 0.000 1.051 155 V CA 1.566 63.894 62.300 0.045 0.000 1.048 155 V CB -0.667 31.199 31.823 0.072 0.000 0.666 155 V HN 0.373 nan 8.190 nan 0.000 0.456 156 L N 0.085 121.245 121.223 -0.104 0.000 2.141 156 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 156 L C 2.658 179.495 176.870 -0.055 0.000 1.094 156 L CA 1.310 56.026 54.840 -0.206 0.000 0.763 156 L CB -0.678 41.114 42.059 -0.444 0.000 0.908 156 L HN 0.342 nan 8.230 nan 0.000 0.437 157 A N 0.210 122.937 122.820 -0.155 0.000 1.929 157 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 157 A C 2.404 179.891 177.584 -0.162 0.000 1.176 157 A CA 1.433 53.339 52.037 -0.218 0.000 0.628 157 A CB -1.101 17.686 19.000 -0.355 0.000 0.816 157 A HN 0.409 nan 8.150 nan 0.000 0.444 158 G N -0.568 108.145 108.800 -0.144 0.000 2.422 158 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 158 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 158 G C 1.609 176.561 174.900 0.086 0.000 1.146 158 G CA 1.196 46.200 45.100 -0.159 0.000 0.769 158 G HN 0.466 nan 8.290 nan 0.000 0.547 159 M N -0.078 119.592 119.600 0.116 0.000 2.132 159 M HA 0.110 4.590 4.480 -0.000 0.000 0.263 159 M C 2.502 178.865 176.300 0.105 0.000 1.065 159 M CA 1.074 56.502 55.300 0.213 0.000 1.122 159 M CB -0.259 32.553 32.600 0.355 0.000 1.365 159 M HN 0.181 nan 8.290 nan 0.000 0.411 160 I N 0.147 120.665 120.570 -0.088 0.000 2.226 160 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 160 I C 2.216 178.190 176.117 -0.238 0.000 1.100 160 I CA 1.391 62.396 61.300 -0.492 0.000 1.374 160 I CB -0.462 36.970 38.000 -0.946 0.000 1.057 160 I HN 0.260 nan 8.210 nan 0.000 0.413 161 I N 1.047 121.513 120.570 -0.173 0.000 2.163 161 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 161 I C 2.827 178.906 176.117 -0.063 0.000 1.085 161 I CA 1.592 62.797 61.300 -0.159 0.000 1.347 161 I CB -0.530 37.397 38.000 -0.122 0.000 1.044 161 I HN 0.191 nan 8.210 nan 0.000 0.408 162 A N -0.331 122.519 122.820 0.049 0.000 1.933 162 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 162 A C 2.349 179.973 177.584 0.067 0.000 1.175 162 A CA 1.670 53.745 52.037 0.064 0.000 0.628 162 A CB -0.995 18.077 19.000 0.120 0.000 0.814 162 A HN 0.540 nan 8.150 nan 0.000 0.444 163 H N -0.303 118.785 119.070 0.030 0.000 2.299 163 H HA -0.083 4.473 4.556 -0.000 0.000 0.302 163 H C 1.730 177.098 175.328 0.066 0.000 1.078 163 H CA 1.711 57.801 56.048 0.070 0.000 1.323 163 H CB 0.042 29.894 29.762 0.149 0.000 1.381 163 H HN 0.393 nan 8.280 nan 0.000 0.498 164 E N -0.099 120.154 120.200 0.087 0.000 2.153 164 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 164 E C 2.212 178.777 176.600 -0.058 0.000 0.988 164 E CA 1.651 58.072 56.400 0.035 0.000 0.811 164 E CB -0.319 29.427 29.700 0.077 0.000 0.746 164 E HN 0.705 nan 8.360 nan 0.000 0.466 165 T N -3.709 110.800 114.554 -0.074 0.000 3.037 165 T HA 0.251 4.601 4.350 -0.000 0.000 0.252 165 T C 1.585 176.250 174.700 -0.057 0.000 1.073 165 T CA 0.772 62.835 62.100 -0.060 0.000 1.091 165 T CB 0.293 69.125 68.868 -0.059 0.000 0.935 165 T HN 0.209 nan 8.240 nan 0.000 0.488 166 G N 1.599 110.353 108.800 -0.077 0.000 2.168 166 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.257 166 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.257 166 G C -0.127 174.746 174.900 -0.045 0.000 0.997 166 G CA 0.561 45.620 45.100 -0.069 0.000 0.708 166 G HN 0.738 nan 8.290 nan 0.000 0.520 167 K N -0.417 119.955 120.400 -0.047 0.000 2.482 167 K HA 0.522 4.842 4.320 -0.000 0.000 0.257 167 K C -2.894 173.638 176.600 -0.113 0.000 0.969 167 K CA -2.442 53.806 56.287 -0.064 0.000 0.842 167 K CB 2.187 34.660 32.500 -0.044 0.000 1.359 167 K HN -0.129 nan 8.250 nan 0.000 0.441 168 P HA -0.125 nan 4.420 nan 0.000 0.264 168 P C 0.032 177.138 177.300 -0.324 0.000 1.179 168 P CA 0.313 63.104 63.100 -0.515 0.000 0.763 168 P CB 0.101 31.299 31.700 -0.836 0.000 0.806 169 Y N 1.485 121.694 120.300 -0.151 0.000 2.298 169 Y HA -0.252 4.298 4.550 0.000 0.000 0.287 169 Y C 2.051 177.970 175.900 0.031 0.000 1.164 169 Y CA 1.544 59.638 58.100 -0.011 0.000 1.229 169 Y CB -2.158 36.334 38.460 0.054 0.000 0.977 169 Y HN 0.330 nan 8.280 nan 0.000 0.538 170 S N -0.068 115.546 115.700 -0.143 0.000 2.383 170 S HA -0.262 4.208 4.470 -0.000 0.000 0.229 170 S C 1.486 176.085 174.600 -0.001 0.000 1.030 170 S CA 1.444 59.657 58.200 0.021 0.000 1.002 170 S CB -0.727 62.473 63.200 0.000 0.000 0.829 170 S HN 0.518 nan 8.310 nan 0.000 0.467 171 D N 1.057 121.438 120.400 -0.031 0.000 2.104 171 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 171 D C 1.794 178.094 176.300 -0.001 0.000 0.994 171 D CA 1.690 55.683 54.000 -0.012 0.000 0.830 171 D CB -0.760 40.031 40.800 -0.015 0.000 0.959 171 D HN 0.659 nan 8.370 nan 0.000 0.452 172 H N 0.054 119.087 119.070 -0.063 0.000 2.290 172 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 172 H C 1.894 177.138 175.328 -0.139 0.000 1.087 172 H CA 1.240 57.252 56.048 -0.060 0.000 1.291 172 H CB -0.393 29.364 29.762 -0.009 0.000 1.369 172 H HN -0.029 nan 8.280 nan 0.000 0.492 173 L N 0.518 121.622 121.223 -0.198 0.000 2.042 173 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 173 L C 2.747 179.009 176.870 -1.012 0.000 1.076 173 L CA 1.901 56.402 54.840 -0.565 0.000 0.749 173 L CB -0.939 40.821 42.059 -0.498 0.000 0.893 173 L HN 0.284 nan 8.230 nan 0.000 0.432 174 R N -0.590 119.500 120.500 -0.684 0.000 2.062 174 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 174 R C 2.481 178.654 176.300 -0.212 0.000 1.136 174 R CA 1.659 57.507 56.100 -0.421 0.000 0.948 174 R CB -0.158 30.121 30.300 -0.035 0.000 0.845 174 R HN 0.503 nan 8.270 nan 0.000 0.430 175 S N -0.205 115.402 115.700 -0.156 0.000 2.428 175 S HA 0.020 4.490 4.470 -0.000 0.000 0.230 175 S C 1.785 176.314 174.600 -0.119 0.000 1.014 175 S CA 0.324 58.469 58.200 -0.091 0.000 0.957 175 S CB 0.034 63.205 63.200 -0.048 0.000 0.784 175 S HN 0.247 nan 8.310 nan 0.000 0.499 176 R N 0.307 120.675 120.500 -0.220 0.000 2.223 176 R HA 0.473 4.813 4.340 -0.000 0.000 0.198 176 R C 1.476 177.697 176.300 -0.131 0.000 0.984 176 R CA 0.501 56.473 56.100 -0.213 0.000 1.018 176 R CB -0.336 29.715 30.300 -0.415 0.000 0.945 176 R HN 0.522 nan 8.270 nan 0.000 0.479 177 I N -1.802 118.676 120.570 -0.153 0.000 3.685 177 I HA 0.043 4.213 4.170 -0.000 0.000 0.258 177 I C 1.173 177.389 176.117 0.165 0.000 1.135 177 I CA 0.063 61.380 61.300 0.028 0.000 1.436 177 I CB -0.194 37.861 38.000 0.091 0.000 1.670 177 I HN -0.213 nan 8.210 nan 0.000 0.424 178 F N 2.216 122.184 119.950 0.030 0.000 2.069 178 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 178 F C 2.728 178.516 175.800 -0.021 0.000 1.113 178 F CA 1.413 59.398 58.000 -0.024 0.000 1.214 178 F CB -1.559 37.367 39.000 -0.124 0.000 0.978 178 F HN 0.035 nan 8.300 nan 0.000 0.474 179 A N 0.423 123.334 122.820 0.151 0.000 1.873 179 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 179 A C 0.106 177.728 177.584 0.063 0.000 1.186 179 A CA 1.247 53.332 52.037 0.079 0.000 0.616 179 A CB -2.086 16.939 19.000 0.043 0.000 0.823 179 A HN 0.276 nan 8.150 nan 0.000 0.442 180 P HA -0.100 nan 4.420 nan 0.000 0.219 180 P C 0.962 178.304 177.300 0.070 0.000 1.146 180 P CA 0.856 63.987 63.100 0.051 0.000 0.808 180 P CB -0.051 31.673 31.700 0.040 0.000 0.779 181 L N -2.888 118.399 121.223 0.106 0.000 2.607 181 L HA 0.295 4.635 4.340 -0.000 0.000 0.228 181 L C 1.197 178.120 176.870 0.089 0.000 1.123 181 L CA 0.394 55.302 54.840 0.114 0.000 0.890 181 L CB -0.840 41.329 42.059 0.183 0.000 1.103 181 L HN 0.072 nan 8.230 nan 0.000 0.468 182 G N 1.287 110.130 108.800 0.071 0.000 2.273 182 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.280 182 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.280 182 G C 0.191 175.102 174.900 0.017 0.000 1.047 182 G CA -0.003 45.120 45.100 0.038 0.000 0.869 182 G HN 0.317 nan 8.290 nan 0.000 0.502 183 M N 0.429 120.043 119.600 0.023 0.000 2.557 183 M HA 0.211 4.691 4.480 -0.000 0.000 0.328 183 M C 1.574 177.755 176.300 -0.198 0.000 1.423 183 M CA 0.246 55.505 55.300 -0.068 0.000 1.418 183 M CB 0.426 32.990 32.600 -0.060 0.000 1.381 183 M HN 0.395 nan 8.290 nan 0.000 0.467 184 K N -0.183 120.108 120.400 -0.182 0.000 2.404 184 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 184 K C -0.436 175.922 176.600 -0.403 0.000 1.023 184 K CA 0.316 56.464 56.287 -0.232 0.000 1.094 184 K CB 0.508 32.954 32.500 -0.090 0.000 0.841 184 K HN 0.398 nan 8.250 nan 0.000 0.523 185 D N 1.515 121.636 120.400 -0.465 0.000 2.720 185 D HA 0.118 4.758 4.640 -0.000 0.000 0.285 185 D C -0.912 174.999 176.300 -0.647 0.000 1.359 185 D CA 0.029 53.762 54.000 -0.444 0.000 0.818 185 D CB 1.336 42.114 40.800 -0.037 0.000 1.108 185 D HN 0.019 nan 8.370 nan 0.000 0.474 186 T N 0.363 114.213 114.554 -1.174 0.000 2.841 186 T HA 0.402 4.752 4.350 -0.000 0.000 0.285 186 T C -0.626 173.334 174.700 -1.233 0.000 0.991 186 T CA -0.599 60.889 62.100 -1.020 0.000 0.966 186 T CB 1.748 69.900 68.868 -1.194 0.000 0.962 186 T HN -0.004 nan 8.240 nan 0.000 0.438 187 W N 1.431 122.487 121.300 -0.407 0.000 2.950 187 W HA 0.565 5.225 4.660 -0.000 0.000 0.340 187 W C -1.033 175.435 176.519 -0.084 0.000 1.139 187 W CA -0.973 56.274 57.345 -0.162 0.000 1.188 187 W CB 1.849 31.304 29.460 -0.007 0.000 1.426 187 W HN 0.235 nan 8.180 nan 0.000 0.531 188 V N 1.978 122.089 119.914 0.328 0.000 2.318 188 V HA 0.218 4.338 4.120 -0.000 0.000 0.271 188 V C 1.023 177.288 176.094 0.284 0.000 1.030 188 V CA 0.061 62.543 62.300 0.303 0.000 0.844 188 V CB 0.622 32.661 31.823 0.360 0.000 1.015 188 V HN 0.909 nan 8.190 nan 0.000 0.460 189 G N 3.133 112.075 108.800 0.237 0.000 2.443 189 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 189 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 189 G C 1.376 176.362 174.900 0.143 0.000 1.131 189 G CA 1.250 46.491 45.100 0.235 0.000 0.775 189 G HN 0.617 nan 8.290 nan 0.000 0.547 190 T N 0.017 114.614 114.554 0.071 0.000 2.788 190 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 190 T C 1.700 176.183 174.700 -0.361 0.000 1.044 190 T CA 1.143 63.141 62.100 -0.170 0.000 1.139 190 T CB -0.193 68.527 68.868 -0.246 0.000 0.867 190 T HN 0.442 nan 8.240 nan 0.000 0.454 191 H N -0.129 118.957 119.070 0.027 0.000 3.058 191 H HA 0.397 4.953 4.556 -0.000 0.000 0.266 191 H C 0.167 175.529 175.328 0.057 0.000 1.135 191 H CA 0.005 56.048 56.048 -0.009 0.000 1.174 191 H CB 1.157 30.844 29.762 -0.124 0.000 1.581 191 H HN 0.422 nan 8.280 nan 0.000 0.553 192 E N 1.057 121.384 120.200 0.212 0.000 2.293 192 E HA 0.317 4.667 4.350 -0.000 0.000 0.270 192 E C -0.687 176.029 176.600 0.193 0.000 0.879 192 E CA -0.592 55.955 56.400 0.245 0.000 0.756 192 E CB 2.492 32.423 29.700 0.385 0.000 1.208 192 E HN -0.105 nan 8.360 nan 0.000 0.428 193 T N 2.370 116.985 114.554 0.103 0.000 2.889 193 T HA 0.430 4.780 4.350 -0.000 0.000 0.291 193 T C -0.486 174.070 174.700 -0.240 0.000 0.995 193 T CA -0.326 61.733 62.100 -0.069 0.000 1.092 193 T CB 0.018 68.820 68.868 -0.110 0.000 0.954 193 T HN 0.341 nan 8.240 nan 0.000 0.506 194 F N 1.700 121.338 119.950 -0.519 0.000 2.593 194 F HA 0.752 5.279 4.527 -0.000 0.000 0.320 194 F C -2.669 172.735 175.800 -0.661 0.000 1.060 194 F CA -3.238 54.112 58.000 -1.083 0.000 0.940 194 F CB 0.475 38.786 39.000 -1.149 0.000 1.268 194 F HN 0.208 nan 8.300 nan 0.000 0.475 195 P HA 0.135 nan 4.420 nan 0.000 0.277 195 P C 0.729 177.891 177.300 -0.230 0.000 1.354 195 P CA 0.014 62.901 63.100 -0.355 0.000 0.891 195 P CB 1.105 32.675 31.700 -0.216 0.000 1.058 196 I N 4.127 124.464 120.570 -0.388 0.000 2.335 196 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 196 I C 2.023 178.114 176.117 -0.044 0.000 1.129 196 I CA 1.632 62.804 61.300 -0.214 0.000 1.402 196 I CB -0.523 37.299 38.000 -0.296 0.000 1.069 196 I HN 0.358 nan 8.210 nan 0.000 0.424 197 E N 0.794 120.955 120.200 -0.064 0.000 2.333 197 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 197 E C 1.895 178.514 176.600 0.031 0.000 1.007 197 E CA 1.178 57.569 56.400 -0.015 0.000 0.845 197 E CB -0.539 29.145 29.700 -0.026 0.000 0.766 197 E HN 0.558 nan 8.360 nan 0.000 0.507 198 R N 0.574 121.096 120.500 0.037 0.000 2.312 198 R HA 0.155 4.495 4.340 -0.000 0.000 0.205 198 R C 0.605 176.977 176.300 0.120 0.000 0.904 198 R CA -0.071 56.070 56.100 0.068 0.000 1.052 198 R CB 0.280 30.604 30.300 0.041 0.000 1.014 198 R HN 0.213 nan 8.270 nan 0.000 0.503 199 E N 1.416 121.682 120.200 0.109 0.000 2.316 199 E HA 0.236 4.586 4.350 -0.000 0.000 0.275 199 E C -0.683 175.904 176.600 -0.022 0.000 1.029 199 E CA -0.410 56.027 56.400 0.061 0.000 0.871 199 E CB 0.920 30.719 29.700 0.164 0.000 1.022 199 E HN 0.152 nan 8.360 nan 0.000 0.418 200 A N 5.252 127.913 122.820 -0.265 0.000 2.540 200 A HA 0.066 4.386 4.320 -0.000 0.000 0.239 200 A C 0.059 177.603 177.584 -0.066 0.000 1.061 200 A CA -0.265 51.551 52.037 -0.369 0.000 0.758 200 A CB 0.282 18.782 19.000 -0.834 0.000 0.991 200 A HN 0.598 nan 8.150 nan 0.000 0.502 201 R N 1.225 121.689 120.500 -0.061 0.000 2.734 201 R HA 0.307 4.647 4.340 -0.000 0.000 0.266 201 R C 0.609 176.780 176.300 -0.215 0.000 1.044 201 R CA 0.448 56.435 56.100 -0.189 0.000 1.128 201 R CB -0.154 29.979 30.300 -0.279 0.000 1.010 201 R HN 0.807 nan 8.270 nan 0.000 0.461 202 G N 1.269 109.737 108.800 -0.554 0.000 2.379 202 G HA2 0.523 4.483 3.960 -0.000 0.000 0.327 202 G HA3 0.523 4.483 3.960 -0.000 0.000 0.327 202 G C -1.336 173.115 174.900 -0.749 0.000 1.145 202 G CA -0.385 44.400 45.100 -0.525 0.000 0.905 202 G HN 0.398 nan 8.290 nan 0.000 0.466 203 Y N 1.637 121.896 120.300 -0.067 0.000 2.331 203 Y HA 0.404 4.954 4.550 -0.000 0.000 0.334 203 Y C 0.327 176.185 175.900 -0.070 0.000 0.960 203 Y CA -1.078 56.949 58.100 -0.121 0.000 1.130 203 Y CB 2.134 40.494 38.460 -0.166 0.000 1.164 203 Y HN 0.176 nan 8.280 nan 0.000 0.458 204 M N 4.244 123.844 119.600 0.000 0.000 2.120 204 M HA 0.199 4.679 4.480 -0.000 0.000 0.354 204 M C -0.404 175.995 176.300 0.164 0.000 1.287 204 M CA -0.023 55.356 55.300 0.133 0.000 1.103 204 M CB 0.241 32.908 32.600 0.112 0.000 1.623 204 M HN 0.662 nan 8.290 nan 0.000 0.471 205 H N 1.951 121.048 119.070 0.045 0.000 2.604 205 H HA 0.432 4.988 4.556 -0.000 0.000 0.306 205 H C -0.193 175.156 175.328 0.036 0.000 1.075 205 H CA -0.425 55.544 56.048 -0.131 0.000 1.357 205 H CB 1.038 30.470 29.762 -0.551 0.000 1.426 205 H HN 0.737 nan 8.280 nan 0.000 0.470 206 A N 3.182 126.000 122.820 -0.003 0.000 2.309 206 A HA 0.611 4.931 4.320 -0.000 0.000 0.290 206 A C -0.067 177.576 177.584 0.098 0.000 1.206 206 A CA -0.099 51.985 52.037 0.078 0.000 0.850 206 A CB 0.196 19.000 19.000 -0.327 0.000 1.118 206 A HN 0.806 nan 8.150 nan 0.000 0.523 221 G N -0.191 108.622 108.800 0.022 0.000 2.587 221 G HA2 0.083 4.043 3.960 -0.000 0.000 0.212 221 G HA3 0.083 4.043 3.960 -0.000 0.000 0.212 221 G C -1.303 173.877 174.900 0.466 0.000 1.327 221 G CA -0.040 45.182 45.100 0.204 0.000 0.898 221 G HN 0.485 nan 8.290 nan 0.000 0.551 222 D N 2.602 123.204 120.400 0.336 0.000 2.312 222 D HA 0.520 5.160 4.640 -0.000 0.000 0.252 222 D C -1.488 174.886 176.300 0.122 0.000 1.150 222 D CA -0.471 53.675 54.000 0.242 0.000 0.870 222 D CB 1.282 42.137 40.800 0.092 0.000 1.153 222 D HN 0.341 nan 8.370 nan 0.000 0.457 223 P HA 0.125 nan 4.420 nan 0.000 0.275 223 P C -0.628 176.475 177.300 -0.328 0.000 1.228 223 P CA -0.442 62.204 63.100 -0.757 0.000 0.786 223 P CB 0.957 31.902 31.700 -1.259 0.000 0.927 224 V N 2.243 122.009 119.914 -0.247 0.000 2.417 224 V HA 0.166 4.286 4.120 -0.000 0.000 0.291 224 V C 0.558 176.628 176.094 -0.040 0.000 1.024 224 V CA -0.137 62.085 62.300 -0.130 0.000 0.861 224 V CB 0.678 32.383 31.823 -0.196 0.000 0.985 224 V HN 0.769 nan 8.190 nan 0.000 0.436 225 D N 3.955 124.329 120.400 -0.042 0.000 2.708 225 D HA -0.182 4.458 4.640 -0.000 0.000 0.236 225 D C 1.222 177.448 176.300 -0.124 0.000 1.146 225 D CA 2.057 56.037 54.000 -0.033 0.000 0.662 225 D CB -1.097 39.736 40.800 0.055 0.000 1.059 225 D HN 1.528 nan 8.370 nan 0.000 0.428 226 G N -2.391 106.292 108.800 -0.195 0.000 2.199 226 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.254 226 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.254 226 G C 0.425 175.064 174.900 -0.435 0.000 0.982 226 G CA 0.705 45.647 45.100 -0.264 0.000 0.632 226 G HN 1.577 nan 8.290 nan 0.000 0.529 227 V N -3.926 115.726 119.914 -0.437 0.000 2.962 227 V HA 0.928 5.048 4.120 -0.000 0.000 0.313 227 V C -0.411 175.504 176.094 -0.300 0.000 1.099 227 V CA -1.841 60.212 62.300 -0.411 0.000 0.971 227 V CB 1.865 33.462 31.823 -0.377 0.000 1.028 227 V HN 0.409 nan 8.190 nan 0.000 0.430 228 W N 0.762 122.097 121.300 0.058 0.000 2.606 228 W HA 0.411 5.071 4.660 -0.000 0.000 0.332 228 W C -0.345 176.136 176.519 -0.064 0.000 1.052 228 W CA -0.446 56.952 57.345 0.090 0.000 1.223 228 W CB 1.786 31.367 29.460 0.201 0.000 1.383 228 W HN 0.765 nan 8.180 nan 0.000 0.524 229 D N 1.574 122.086 120.400 0.186 0.000 2.363 229 D HA 0.002 4.642 4.640 -0.000 0.000 0.263 229 D C 0.884 176.899 176.300 -0.474 0.000 1.258 229 D CA 0.565 54.429 54.000 -0.227 0.000 0.907 229 D CB 0.864 41.620 40.800 -0.074 0.000 1.107 229 D HN 0.292 nan 8.370 nan 0.000 0.495 230 S N 1.223 116.419 115.700 -0.840 0.000 2.593 230 S HA 0.021 4.491 4.470 -0.000 0.000 0.236 230 S C 1.499 175.634 174.600 -0.776 0.000 0.991 230 S CA -0.415 56.889 58.200 -1.494 0.000 0.963 230 S CB 0.315 62.491 63.200 -1.708 0.000 0.865 230 S HN 0.380 nan 8.310 nan 0.000 0.488 231 T N 3.041 117.287 114.554 -0.513 0.000 2.653 231 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 231 T C 1.043 175.669 174.700 -0.123 0.000 1.035 231 T CA 1.866 63.767 62.100 -0.333 0.000 1.154 231 T CB -0.300 68.416 68.868 -0.253 0.000 0.862 231 T HN 0.631 nan 8.240 nan 0.000 0.441 232 E N -0.960 119.223 120.200 -0.028 0.000 2.569 232 E HA 0.083 4.433 4.350 -0.000 0.000 0.205 232 E C 0.775 177.527 176.600 0.253 0.000 1.006 232 E CA -0.427 56.035 56.400 0.103 0.000 0.985 232 E CB 0.205 29.948 29.700 0.071 0.000 1.060 232 E HN 0.462 nan 8.360 nan 0.000 0.460 233 W N 0.291 121.605 121.300 0.024 0.000 2.379 233 W HA -0.009 4.651 4.660 -0.000 0.000 0.307 233 W C 0.781 177.359 176.519 0.098 0.000 1.200 233 W CA 0.308 57.676 57.345 0.038 0.000 1.297 233 W CB -0.344 29.134 29.460 0.029 0.000 1.140 233 W HN 0.020 nan 8.180 nan 0.000 0.507 234 F N 3.254 123.349 119.950 0.242 0.000 2.415 234 F HA 0.412 4.939 4.527 0.000 0.000 0.348 234 F C -1.947 173.933 175.800 0.134 0.000 1.119 234 F CA -3.328 54.770 58.000 0.162 0.000 1.069 234 F CB 0.871 39.955 39.000 0.140 0.000 1.124 234 F HN -0.356 nan 8.300 nan 0.000 0.472 235 P HA 0.154 nan 4.420 nan 0.000 0.282 235 P C 0.671 177.875 177.300 -0.161 0.000 1.262 235 P CA -0.104 62.881 63.100 -0.191 0.000 0.773 235 P CB 1.426 33.033 31.700 -0.155 0.000 0.879 236 L N 2.341 123.615 121.223 0.085 0.000 2.131 236 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 236 L C 2.496 179.446 176.870 0.134 0.000 1.092 236 L CA 2.076 57.031 54.840 0.191 0.000 0.759 236 L CB -0.822 41.365 42.059 0.215 0.000 0.903 236 L HN 0.448 nan 8.230 nan 0.000 0.435 237 S N -0.225 115.512 115.700 0.062 0.000 2.442 237 S HA -0.111 4.359 4.470 -0.000 0.000 0.236 237 S C 2.014 176.601 174.600 -0.021 0.000 1.007 237 S CA 0.865 59.094 58.200 0.048 0.000 0.965 237 S CB -0.767 62.467 63.200 0.057 0.000 0.773 237 S HN 0.450 nan 8.310 nan 0.000 0.504 238 G N 0.918 109.607 108.800 -0.185 0.000 2.448 238 G HA2 0.162 4.122 3.960 -0.000 0.000 0.219 238 G HA3 0.162 4.122 3.960 -0.000 0.000 0.219 238 G C 1.472 176.316 174.900 -0.093 0.000 1.127 238 G CA 0.635 45.376 45.100 -0.598 0.000 0.766 238 G HN 0.773 nan 8.290 nan 0.000 0.552 239 A N -0.544 122.443 122.820 0.278 0.000 1.956 239 A HA 0.212 4.532 4.320 -0.000 0.000 0.212 239 A C 1.364 179.107 177.584 0.265 0.000 1.188 239 A CA 1.221 53.511 52.037 0.421 0.000 0.675 239 A CB -0.191 19.068 19.000 0.431 0.000 0.845 239 A HN 0.437 nan 8.150 nan 0.000 0.455 240 N N -1.762 117.054 118.700 0.194 0.000 1.243 240 N HA -0.307 4.433 4.740 -0.000 0.000 0.121 240 N C 1.133 176.776 175.510 0.222 0.000 0.850 240 N CA 1.305 54.488 53.050 0.223 0.000 0.883 240 N CB -1.437 37.127 38.487 0.128 0.000 1.027 240 N HN 0.697 nan 8.380 nan 0.000 0.616 241 A N 0.002 122.859 122.820 0.061 0.000 2.172 241 A HA 0.316 4.636 4.320 -0.000 0.000 0.216 241 A C 2.222 179.825 177.584 0.031 0.000 1.154 241 A CA 2.295 54.224 52.037 -0.179 0.000 0.701 241 A CB -0.683 18.013 19.000 -0.507 0.000 0.789 241 A HN 0.846 nan 8.150 nan 0.000 0.465 242 A N -1.296 121.609 122.820 0.142 0.000 2.119 242 A HA 0.406 4.726 4.320 -0.000 0.000 0.216 242 A C 1.433 179.063 177.584 0.077 0.000 1.152 242 A CA 1.291 53.403 52.037 0.125 0.000 0.708 242 A CB -0.230 18.926 19.000 0.261 0.000 0.805 242 A HN 1.291 nan 8.150 nan 0.000 0.460 243 G N 0.189 109.065 108.800 0.127 0.000 5.473 243 G HA2 0.242 4.202 3.960 -0.000 0.000 0.206 243 G HA3 0.242 4.202 3.960 -0.000 0.000 0.206 243 G C -0.156 174.829 174.900 0.142 0.000 0.904 243 G CA 0.536 45.699 45.100 0.104 0.000 0.697 243 G HN 0.335 nan 8.290 nan 0.000 0.279 244 D N -0.320 120.180 120.400 0.167 0.000 2.349 244 D HA 0.162 4.802 4.640 -0.000 0.000 0.214 244 D C 1.040 177.419 176.300 0.131 0.000 1.063 244 D CA -0.319 53.792 54.000 0.187 0.000 0.847 244 D CB 0.076 41.017 40.800 0.235 0.000 0.933 244 D HN 0.350 nan 8.370 nan 0.000 0.513 245 M N 0.506 120.150 119.600 0.073 0.000 2.250 245 M HA 0.307 4.787 4.480 -0.000 0.000 0.344 245 M C -0.530 175.728 176.300 -0.070 0.000 1.150 245 M CA -0.473 54.819 55.300 -0.014 0.000 1.147 245 M CB 2.263 34.786 32.600 -0.127 0.000 1.498 245 M HN -0.269 nan 8.290 nan 0.000 0.461 246 V N 1.485 121.322 119.914 -0.130 0.000 2.555 246 V HA 0.700 4.820 4.120 -0.000 0.000 0.302 246 V C -0.334 175.706 176.094 -0.090 0.000 1.038 246 V CA -0.198 61.995 62.300 -0.178 0.000 0.887 246 V CB 1.929 33.410 31.823 -0.570 0.000 0.991 246 V HN 0.984 nan 8.190 nan 0.000 0.434 247 S N 2.238 117.920 115.700 -0.030 0.000 2.724 247 S HA 0.750 5.220 4.470 -0.000 0.000 0.278 247 S C -0.691 173.958 174.600 0.081 0.000 1.190 247 S CA 0.094 58.267 58.200 -0.045 0.000 0.860 247 S CB 2.183 65.294 63.200 -0.149 0.000 1.206 247 S HN 1.021 nan 8.310 nan 0.000 0.507 248 T N 0.105 114.696 114.554 0.062 0.000 2.908 248 T HA 0.623 4.973 4.350 -0.000 0.000 0.290 248 T C -2.453 172.295 174.700 0.080 0.000 1.034 248 T CA -1.806 60.371 62.100 0.130 0.000 1.010 248 T CB 1.269 70.202 68.868 0.108 0.000 1.068 248 T HN 0.265 nan 8.240 nan 0.000 0.481 249 P HA -0.158 nan 4.420 nan 0.000 0.216 249 P C 1.707 179.040 177.300 0.055 0.000 1.153 249 P CA 0.980 64.097 63.100 0.028 0.000 0.858 249 P CB 0.045 31.745 31.700 -0.000 0.000 0.789 250 R N 0.114 120.649 120.500 0.058 0.000 2.113 250 R HA -0.220 4.120 4.340 -0.000 0.000 0.244 250 R C 1.559 177.895 176.300 0.060 0.000 1.142 250 R CA 2.376 58.507 56.100 0.052 0.000 0.953 250 R CB -0.900 29.425 30.300 0.040 0.000 0.860 250 R HN 0.094 nan 8.270 nan 0.000 0.438 251 D N 0.234 120.664 120.400 0.050 0.000 2.117 251 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 251 D C 1.930 178.318 176.300 0.147 0.000 0.982 251 D CA 0.953 54.983 54.000 0.051 0.000 0.828 251 D CB -0.091 40.682 40.800 -0.045 0.000 0.967 251 D HN 0.201 nan 8.370 nan 0.000 0.464 252 I N 0.577 121.243 120.570 0.159 0.000 2.208 252 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 252 I C 2.330 178.618 176.117 0.285 0.000 1.097 252 I CA 0.806 62.272 61.300 0.278 0.000 1.363 252 I CB -0.970 37.153 38.000 0.206 0.000 1.051 252 I HN -0.036 nan 8.210 nan 0.000 0.413 253 V N 0.883 120.897 119.914 0.167 0.000 2.515 253 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 253 V C 2.465 178.634 176.094 0.126 0.000 1.058 253 V CA 1.433 63.805 62.300 0.120 0.000 1.064 253 V CB -0.640 31.223 31.823 0.067 0.000 0.675 253 V HN 0.409 nan 8.190 nan 0.000 0.461 254 K N -0.589 119.900 120.400 0.149 0.000 2.057 254 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 254 K C 2.075 178.794 176.600 0.199 0.000 1.049 254 K CA 1.850 58.224 56.287 0.145 0.000 0.931 254 K CB -0.331 32.254 32.500 0.140 0.000 0.714 254 K HN 0.470 nan 8.250 nan 0.000 0.440 255 F N 1.923 121.952 119.950 0.132 0.000 2.075 255 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 255 F C 1.759 177.606 175.800 0.079 0.000 1.113 255 F CA 1.311 59.389 58.000 0.129 0.000 1.218 255 F CB -0.349 38.775 39.000 0.206 0.000 0.984 255 F HN -0.129 nan 8.300 nan 0.000 0.472 256 L N 0.307 121.495 121.223 -0.059 0.000 2.042 256 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 256 L C 2.347 179.234 176.870 0.028 0.000 1.076 256 L CA 1.409 56.212 54.840 -0.061 0.000 0.749 256 L CB -0.989 41.123 42.059 0.088 0.000 0.893 256 L HN 0.213 nan 8.230 nan 0.000 0.432 257 N N 0.387 119.098 118.700 0.018 0.000 2.058 257 N HA -0.167 4.573 4.740 -0.000 0.000 0.191 257 N C 1.898 177.411 175.510 0.005 0.000 1.037 257 N CA 1.721 54.788 53.050 0.027 0.000 0.848 257 N CB -0.439 38.063 38.487 0.025 0.000 1.021 257 N HN 0.311 nan 8.380 nan 0.000 0.422 258 A N 0.922 123.721 122.820 -0.035 0.000 1.908 258 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 258 A C 2.292 179.794 177.584 -0.136 0.000 1.181 258 A CA 1.157 53.161 52.037 -0.056 0.000 0.627 258 A CB -0.753 18.236 19.000 -0.019 0.000 0.818 258 A HN 0.276 nan 8.150 nan 0.000 0.445 259 L N -1.842 119.199 121.223 -0.302 0.000 2.027 259 L HA 0.002 4.342 4.340 -0.000 0.000 0.206 259 L C 2.101 178.756 176.870 -0.358 0.000 1.074 259 L CA 1.932 56.504 54.840 -0.448 0.000 0.745 259 L CB -0.503 41.040 42.059 -0.859 0.000 0.898 259 L HN 0.335 nan 8.230 nan 0.000 0.433 260 F N -0.456 119.378 119.950 -0.193 0.000 2.558 260 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 260 F C 1.587 177.342 175.800 -0.075 0.000 1.119 260 F CA 0.609 58.539 58.000 -0.116 0.000 1.451 260 F CB -0.237 38.701 39.000 -0.103 0.000 1.091 260 F HN 0.143 nan 8.300 nan 0.000 0.563 261 D N -0.444 119.996 120.400 0.067 0.000 2.325 261 D HA 0.158 4.798 4.640 -0.000 0.000 0.225 261 D C 1.918 178.218 176.300 0.001 0.000 1.096 261 D CA 0.850 54.871 54.000 0.034 0.000 0.844 261 D CB -0.002 40.813 40.800 0.025 0.000 0.925 261 D HN 0.291 nan 8.370 nan 0.000 0.513 262 G N 1.367 110.150 108.800 -0.029 0.000 2.159 262 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.256 262 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.256 262 G C 1.168 176.049 174.900 -0.032 0.000 0.977 262 G CA -0.030 45.050 45.100 -0.034 0.000 0.652 262 G HN 0.373 nan 8.290 nan 0.000 0.531 263 R N -0.542 119.937 120.500 -0.036 0.000 2.310 263 R HA 0.414 4.754 4.340 -0.000 0.000 0.202 263 R C 2.046 178.334 176.300 -0.020 0.000 0.933 263 R CA 0.857 56.945 56.100 -0.020 0.000 1.054 263 R CB 0.091 30.386 30.300 -0.008 0.000 0.985 263 R HN 0.561 nan 8.270 nan 0.000 0.489 264 I N -0.236 120.307 120.570 -0.045 0.000 3.523 264 I HA 0.080 4.250 4.170 -0.000 0.000 0.244 264 I C 0.582 176.688 176.117 -0.019 0.000 1.110 264 I CA -0.006 61.279 61.300 -0.025 0.000 1.517 264 I CB 0.173 38.155 38.000 -0.030 0.000 1.505 264 I HN -0.093 nan 8.210 nan 0.000 0.460 265 L N 2.144 123.339 121.223 -0.047 0.000 2.343 265 L HA 0.236 4.576 4.340 -0.000 0.000 0.275 265 L C -0.540 176.306 176.870 -0.039 0.000 1.056 265 L CA -0.872 53.948 54.840 -0.034 0.000 0.804 265 L CB 0.946 42.965 42.059 -0.067 0.000 1.203 265 L HN 0.306 nan 8.230 nan 0.000 0.440 266 D N 0.688 121.077 120.400 -0.018 0.000 2.372 266 D HA -0.079 4.561 4.640 -0.000 0.000 0.243 266 D C 0.657 176.945 176.300 -0.019 0.000 1.297 266 D CA -0.182 53.809 54.000 -0.015 0.000 0.958 266 D CB 0.586 41.384 40.800 -0.003 0.000 1.114 266 D HN 0.528 nan 8.370 nan 0.000 0.496 267 Q N -0.855 118.939 119.800 -0.010 0.000 2.084 267 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 267 Q C 1.647 177.668 176.000 0.035 0.000 0.978 267 Q CA 1.454 57.260 55.803 0.005 0.000 0.844 267 Q CB -0.042 28.692 28.738 -0.007 0.000 0.898 267 Q HN 0.351 nan 8.270 nan 0.000 0.426 268 K N 0.474 120.880 120.400 0.010 0.000 2.057 268 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 268 K C 1.921 178.577 176.600 0.094 0.000 1.049 268 K CA 1.400 57.708 56.287 0.035 0.000 0.931 268 K CB -0.054 32.437 32.500 -0.015 0.000 0.714 268 K HN -0.019 nan 8.250 nan 0.000 0.440 269 R N -0.081 120.416 120.500 -0.004 0.000 2.090 269 R HA 0.053 4.393 4.340 -0.000 0.000 0.228 269 R C 2.088 178.241 176.300 -0.244 0.000 1.110 269 R CA 0.791 56.805 56.100 -0.142 0.000 0.973 269 R CB -0.875 29.365 30.300 -0.100 0.000 0.869 269 R HN 0.215 nan 8.270 nan 0.000 0.440 270 L N -0.529 120.618 121.223 -0.126 0.000 2.042 270 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 270 L C 1.849 178.684 176.870 -0.059 0.000 1.076 270 L CA 1.722 56.476 54.840 -0.144 0.000 0.749 270 L CB -0.659 41.326 42.059 -0.124 0.000 0.893 270 L HN 0.328 nan 8.230 nan 0.000 0.432 271 W N 0.561 121.785 121.300 -0.127 0.000 2.355 271 W HA -0.185 4.475 4.660 -0.000 0.000 0.309 271 W C 2.365 178.854 176.519 -0.049 0.000 1.206 271 W CA 1.817 59.123 57.345 -0.066 0.000 1.284 271 W CB -0.034 29.398 29.460 -0.046 0.000 1.145 271 W HN 0.127 nan 8.180 nan 0.000 0.502 272 E N 0.004 120.237 120.200 0.055 0.000 2.085 272 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 272 E C 2.129 178.665 176.600 -0.106 0.000 0.994 272 E CA 1.986 58.297 56.400 -0.148 0.000 0.801 272 E CB -0.884 28.749 29.700 -0.112 0.000 0.743 272 E HN 0.467 nan 8.360 nan 0.000 0.453 273 M N 0.586 120.075 119.600 -0.185 0.000 2.099 273 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 273 M C 2.212 178.493 176.300 -0.030 0.000 1.067 273 M CA 1.778 57.053 55.300 -0.042 0.000 1.124 273 M CB 0.057 32.568 32.600 -0.149 0.000 1.353 273 M HN -0.043 nan 8.290 nan 0.000 0.410 274 K N -2.441 117.891 120.400 -0.113 0.000 2.348 274 K HA 0.053 4.373 4.320 -0.000 0.000 0.194 274 K C 0.482 177.003 176.600 -0.132 0.000 1.052 274 K CA 0.745 56.995 56.287 -0.062 0.000 1.004 274 K CB 0.339 32.843 32.500 0.007 0.000 0.873 274 K HN 0.212 nan 8.250 nan 0.000 0.523 275 D N 0.472 120.659 120.400 -0.355 0.000 2.479 275 D HA -0.015 4.625 4.640 -0.000 0.000 0.221 275 D C -0.252 175.616 176.300 -0.721 0.000 1.104 275 D CA 0.074 53.786 54.000 -0.481 0.000 0.849 275 D CB 0.250 40.775 40.800 -0.459 0.000 1.072 275 D HN 0.067 nan 8.370 nan 0.000 0.502 276 N N 2.025 120.154 118.700 -0.953 0.000 2.895 276 N HA 0.116 4.856 4.740 -0.000 0.000 0.277 276 N C -0.328 175.071 175.510 -0.186 0.000 1.185 276 N CA -0.047 52.583 53.050 -0.702 0.000 1.106 276 N CB -0.513 37.483 38.487 -0.818 0.000 1.422 276 N HN 0.252 nan 8.380 nan 0.000 0.521 277 I N -1.638 118.844 120.570 -0.146 0.000 2.797 277 I HA 0.670 4.840 4.170 -0.000 0.000 0.307 277 I C -0.368 175.734 176.117 -0.025 0.000 1.033 277 I CA -0.886 60.368 61.300 -0.078 0.000 1.071 277 I CB 1.989 39.949 38.000 -0.066 0.000 1.255 277 I HN -0.057 nan 8.210 nan 0.000 0.445 278 K N 2.508 122.901 120.400 -0.011 0.000 2.495 278 K HA 0.565 4.885 4.320 -0.000 0.000 0.268 278 K C -2.826 173.783 176.600 0.015 0.000 1.008 278 K CA -1.687 54.609 56.287 0.015 0.000 0.882 278 K CB 2.104 34.630 32.500 0.044 0.000 1.443 278 K HN 0.351 nan 8.250 nan 0.000 0.447 279 P HA 0.099 nan 4.420 nan 0.000 0.269 279 P C -1.574 175.749 177.300 0.040 0.000 1.209 279 P CA -0.085 63.029 63.100 0.024 0.000 0.776 279 P CB 0.715 32.428 31.700 0.021 0.000 0.876 280 A N 2.552 125.401 122.820 0.049 0.000 2.520 280 A HA 0.636 4.956 4.320 -0.000 0.000 0.298 280 A C -1.770 175.884 177.584 0.116 0.000 1.051 280 A CA -0.438 51.642 52.037 0.073 0.000 0.690 280 A CB 0.845 19.871 19.000 0.044 0.000 1.281 280 A HN 0.421 nan 8.150 nan 0.000 0.402 281 F N 1.916 121.846 119.950 -0.033 0.000 2.436 281 F HA 0.778 5.304 4.527 -0.000 0.000 0.340 281 F C -1.275 174.480 175.800 -0.075 0.000 1.113 281 F CA -1.376 56.583 58.000 -0.068 0.000 1.022 281 F CB 1.202 40.144 39.000 -0.097 0.000 1.128 281 F HN 0.496 nan 8.300 nan 0.000 0.466 282 F N 8.658 127.990 119.950 -1.030 0.000 2.562 282 F HA 0.553 5.080 4.527 -0.000 0.000 0.319 282 F C -2.656 172.291 175.800 -1.423 0.000 1.154 282 F CA -2.328 54.974 58.000 -1.163 0.000 0.931 282 F CB 1.926 40.452 39.000 -0.791 0.000 1.198 282 F HN 0.300 nan 8.300 nan 0.000 0.444 283 P HA 0.337 nan 4.420 nan 0.000 0.285 283 P C -0.804 176.124 177.300 -0.619 0.000 1.259 283 P CA -0.144 62.273 63.100 -1.138 0.000 0.794 283 P CB 1.725 32.664 31.700 -1.268 0.000 0.940 284 G N 0.602 109.322 108.800 -0.134 0.000 2.470 284 G HA2 0.505 4.465 3.960 -0.000 0.000 0.320 284 G HA3 0.505 4.465 3.960 -0.000 0.000 0.320 284 G C -0.756 174.131 174.900 -0.022 0.000 1.245 284 G CA -0.833 44.203 45.100 -0.106 0.000 0.935 284 G HN 0.662 nan 8.290 nan 0.000 0.476 285 S N 0.906 116.560 115.700 -0.077 0.000 2.753 285 S HA -0.158 4.312 4.470 -0.000 0.000 0.856 285 S C 0.117 174.608 174.600 -0.180 0.000 0.814 285 S CA -0.353 57.753 58.200 -0.157 0.000 1.543 285 S CB -0.725 62.378 63.200 -0.161 0.000 1.109 285 S HN 0.731 nan 8.310 nan 0.000 0.287 286 N N 2.643 121.194 118.700 -0.249 0.000 2.295 286 N HA 0.170 4.910 4.740 -0.000 0.000 0.221 286 N C -0.047 175.300 175.510 -0.272 0.000 1.129 286 N CA 0.220 53.071 53.050 -0.332 0.000 0.836 286 N CB 0.680 38.752 38.487 -0.692 0.000 1.040 286 N HN 0.605 nan 8.380 nan 0.000 0.494 287 T N 0.329 114.757 114.554 -0.210 0.000 2.853 287 T HA 0.111 4.461 4.350 -0.000 0.000 0.298 287 T C 1.711 176.356 174.700 -0.090 0.000 0.978 287 T CA -0.073 61.931 62.100 -0.161 0.000 1.152 287 T CB 1.189 69.954 68.868 -0.172 0.000 0.914 287 T HN 0.120 nan 8.240 nan 0.000 0.539 288 V N 0.291 120.163 119.914 -0.070 0.000 3.572 288 V HA 0.779 4.898 4.120 -0.000 0.000 0.260 288 V C 0.462 176.549 176.094 -0.011 0.000 1.324 288 V CA 0.350 62.633 62.300 -0.030 0.000 1.068 288 V CB -0.361 31.438 31.823 -0.041 0.000 0.837 288 V HN 0.935 nan 8.190 nan 0.000 0.450 289 A N 1.558 124.365 122.820 -0.022 0.000 2.609 289 A HA 0.803 5.123 4.320 -0.000 0.000 0.291 289 A C -1.243 176.336 177.584 -0.010 0.000 1.096 289 A CA -0.205 51.826 52.037 -0.009 0.000 0.684 289 A CB 1.495 20.488 19.000 -0.012 0.000 1.282 289 A HN 0.654 nan 8.150 nan 0.000 0.412 290 N N 0.173 118.874 118.700 0.002 0.000 2.396 290 N HA 0.585 5.325 4.740 -0.000 0.000 0.275 290 N C 0.026 175.514 175.510 -0.036 0.000 1.218 290 N CA 0.053 53.111 53.050 0.013 0.000 0.812 290 N CB 1.729 40.267 38.487 0.085 0.000 1.592 290 N HN 0.850 nan 8.380 nan 0.000 0.480 291 G N 0.067 108.846 108.800 -0.034 0.000 3.434 291 G HA2 0.210 4.170 3.960 -0.000 0.000 0.192 291 G HA3 0.210 4.170 3.960 -0.000 0.000 0.192 291 G C -0.752 173.982 174.900 -0.277 0.000 1.704 291 G CA 0.008 45.045 45.100 -0.106 0.000 0.936 291 G HN 0.678 nan 8.290 nan 0.000 0.623 292 H N -0.994 118.129 119.070 0.088 0.000 2.386 292 H HA 0.498 5.054 4.556 -0.000 0.000 0.232 292 H C 0.703 176.188 175.328 0.263 0.000 1.416 292 H CA 0.170 56.313 56.048 0.158 0.000 1.285 292 H CB 0.706 30.586 29.762 0.196 0.000 1.625 292 H HN 0.859 nan 8.280 nan 0.000 0.521 293 G N 0.511 109.499 108.800 0.313 0.000 2.273 293 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.162 293 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.162 293 G C -0.410 174.669 174.900 0.299 0.000 1.006 293 G CA -0.550 44.764 45.100 0.356 0.000 0.704 293 G HN 0.339 nan 8.290 nan 0.000 0.487 294 L N 1.148 122.515 121.223 0.240 0.000 2.401 294 L HA 0.705 5.045 4.340 -0.000 0.000 0.266 294 L C 0.163 177.107 176.870 0.124 0.000 0.991 294 L CA -1.080 53.886 54.840 0.209 0.000 0.818 294 L CB 2.153 44.314 42.059 0.170 0.000 1.321 294 L HN -0.012 nan 8.230 nan 0.000 0.413 295 L N 2.891 124.129 121.223 0.025 0.000 2.360 295 L HA 0.486 4.826 4.340 -0.000 0.000 0.271 295 L C -0.622 176.225 176.870 -0.037 0.000 1.057 295 L CA -0.737 54.056 54.840 -0.077 0.000 0.803 295 L CB 1.674 43.558 42.059 -0.293 0.000 1.207 295 L HN 0.367 nan 8.230 nan 0.000 0.445 296 L N 3.380 124.580 121.223 -0.040 0.000 2.272 296 L HA 0.511 4.851 4.340 -0.000 0.000 0.289 296 L C -0.653 176.178 176.870 -0.065 0.000 1.032 296 L CA 0.113 54.936 54.840 -0.029 0.000 0.810 296 L CB 0.993 43.042 42.059 -0.016 0.000 1.205 296 L HN 0.510 nan 8.230 nan 0.000 0.422 297 M N 5.593 125.160 119.600 -0.055 0.000 2.190 297 M HA 0.527 5.007 4.480 -0.000 0.000 0.312 297 M C -0.484 175.699 176.300 -0.194 0.000 0.990 297 M CA -0.600 54.618 55.300 -0.137 0.000 0.927 297 M CB 1.850 34.413 32.600 -0.062 0.000 1.571 297 M HN 0.406 nan 8.290 nan 0.000 0.427 298 R N 2.242 122.533 120.500 -0.349 0.000 2.349 298 R HA 0.402 4.742 4.340 -0.000 0.000 0.299 298 R C -1.489 174.471 176.300 -0.567 0.000 1.027 298 R CA -0.258 55.670 56.100 -0.286 0.000 0.958 298 R CB 1.030 31.222 30.300 -0.180 0.000 1.047 298 R HN 0.616 nan 8.270 nan 0.000 0.468 299 Y N 1.021 121.289 120.300 -0.054 0.000 2.705 299 Y HA 0.205 4.755 4.550 -0.000 0.000 0.355 299 Y C 1.093 176.966 175.900 -0.046 0.000 1.039 299 Y CA 0.201 58.268 58.100 -0.055 0.000 1.233 299 Y CB 1.310 39.730 38.460 -0.068 0.000 1.103 299 Y HN 1.058 nan 8.280 nan 0.000 0.624 300 G N 1.367 110.188 108.800 0.034 0.000 2.596 300 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.304 300 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.304 300 G C 1.241 176.149 174.900 0.012 0.000 1.189 300 G CA 0.736 45.847 45.100 0.019 0.000 0.986 300 G HN 0.876 nan 8.290 nan 0.000 0.548 301 S N -0.098 115.611 115.700 0.014 0.000 2.631 301 S HA 0.579 5.048 4.470 -0.000 0.000 0.217 301 S C 0.795 175.403 174.600 0.013 0.000 0.958 301 S CA 1.044 59.249 58.200 0.007 0.000 0.920 301 S CB 0.269 63.469 63.200 0.000 0.000 0.776 301 S HN 0.970 nan 8.310 nan 0.000 0.517 302 S N 1.246 116.968 115.700 0.036 0.000 2.664 302 S HA 0.609 5.079 4.470 -0.000 0.000 0.304 302 S C -0.605 174.043 174.600 0.079 0.000 1.099 302 S CA -0.863 57.360 58.200 0.039 0.000 1.003 302 S CB 1.539 64.752 63.200 0.021 0.000 1.092 302 S HN 0.464 nan 8.310 nan 0.000 0.525 303 E N 0.816 121.052 120.200 0.060 0.000 2.308 303 E HA 0.417 4.767 4.350 -0.000 0.000 0.275 303 E C -1.489 175.142 176.600 0.052 0.000 0.890 303 E CA -0.471 55.973 56.400 0.074 0.000 0.754 303 E CB 1.853 31.564 29.700 0.017 0.000 1.207 303 E HN 0.352 nan 8.360 nan 0.000 0.426 304 L N 2.560 123.847 121.223 0.107 0.000 2.317 304 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 304 L C -0.203 176.676 176.870 0.014 0.000 1.024 304 L CA -0.830 54.024 54.840 0.025 0.000 0.810 304 L CB 1.194 43.287 42.059 0.055 0.000 1.240 304 L HN 0.275 nan 8.230 nan 0.000 0.427 305 K N 2.721 123.104 120.400 -0.029 0.000 2.316 305 K HA 0.646 4.966 4.320 -0.000 0.000 0.267 305 K C -0.027 176.647 176.600 0.124 0.000 1.025 305 K CA -0.251 56.078 56.287 0.069 0.000 0.896 305 K CB 2.151 34.752 32.500 0.168 0.000 1.124 305 K HN 0.898 nan 8.250 nan 0.000 0.451 306 G N 1.869 110.744 108.800 0.124 0.000 2.724 306 G HA2 0.104 4.064 3.960 -0.000 0.000 0.087 306 G HA3 0.104 4.064 3.960 -0.000 0.000 0.087 306 G C -1.503 173.490 174.900 0.154 0.000 1.160 306 G CA -0.240 44.960 45.100 0.166 0.000 1.298 306 G HN 0.587 nan 8.290 nan 0.000 0.610 307 H N -1.571 117.508 119.070 0.016 0.000 2.981 307 H HA 0.637 5.193 4.556 -0.000 0.000 0.327 307 H C -1.224 174.036 175.328 -0.113 0.000 1.342 307 H CA -0.412 55.607 56.048 -0.049 0.000 1.123 307 H CB 2.018 31.768 29.762 -0.019 0.000 1.851 307 H HN 0.727 nan 8.280 nan 0.000 0.531 308 L N 0.044 121.182 121.223 -0.142 0.000 2.333 308 L HA 0.967 5.307 4.340 -0.000 0.000 0.269 308 L C -0.321 176.491 176.870 -0.098 0.000 1.010 308 L CA -0.508 54.230 54.840 -0.170 0.000 0.818 308 L CB 2.008 43.845 42.059 -0.370 0.000 1.306 308 L HN 0.616 nan 8.230 nan 0.000 0.430 309 G N 1.180 109.934 108.800 -0.077 0.000 2.566 309 G HA2 0.673 4.633 3.960 -0.000 0.000 0.311 309 G HA3 0.673 4.633 3.960 -0.000 0.000 0.311 309 G C -1.451 173.437 174.900 -0.020 0.000 1.322 309 G CA -0.494 44.584 45.100 -0.036 0.000 0.969 309 G HN 0.652 nan 8.290 nan 0.000 0.490 310 Q N 1.055 120.861 119.800 0.009 0.000 2.294 310 Q HA 0.555 4.895 4.340 -0.000 0.000 0.264 310 Q C -1.294 174.700 176.000 -0.009 0.000 0.992 310 Q CA -0.389 55.436 55.803 0.037 0.000 0.747 310 Q CB 2.844 31.650 28.738 0.113 0.000 1.262 310 Q HN 0.576 nan 8.270 nan 0.000 0.452 311 I N 1.990 122.551 120.570 -0.014 0.000 2.802 311 I HA 0.462 4.632 4.170 -0.000 0.000 0.298 311 I C -2.573 173.515 176.117 -0.048 0.000 1.176 311 I CA -2.617 58.632 61.300 -0.085 0.000 1.025 311 I CB 2.570 40.544 38.000 -0.043 0.000 1.243 311 I HN 0.346 nan 8.210 nan 0.000 0.424 312 P HA 0.065 nan 4.420 nan 0.000 0.253 312 P C 0.532 177.729 177.300 -0.172 0.000 1.159 312 P CA 1.581 64.638 63.100 -0.071 0.000 0.779 312 P CB 0.027 31.732 31.700 0.007 0.000 0.745 313 G N 2.282 111.027 108.800 -0.091 0.000 2.267 313 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 313 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 313 G C 0.011 174.986 174.900 0.125 0.000 0.998 313 G CA -0.199 44.866 45.100 -0.058 0.000 0.620 313 G HN 0.672 nan 8.290 nan 0.000 0.529 314 H N 0.677 119.783 119.070 0.060 0.000 2.511 314 H HA 0.561 5.117 4.556 -0.000 0.000 0.328 314 H C -0.721 174.642 175.328 0.058 0.000 1.044 314 H CA -0.257 55.866 56.048 0.126 0.000 1.212 314 H CB 1.565 31.446 29.762 0.199 0.000 1.428 314 H HN 0.132 nan 8.280 nan 0.000 0.483 315 T N 2.756 117.393 114.554 0.139 0.000 2.840 315 T HA 0.286 4.636 4.350 -0.000 0.000 0.287 315 T C -0.429 174.242 174.700 -0.048 0.000 0.991 315 T CA -0.945 61.178 62.100 0.039 0.000 0.964 315 T CB 1.028 69.916 68.868 0.034 0.000 0.954 315 T HN 0.631 nan 8.240 nan 0.000 0.438 316 S N 3.194 118.857 115.700 -0.061 0.000 2.536 316 S HA 0.838 5.308 4.470 -0.000 0.000 0.298 316 S C -0.880 173.668 174.600 -0.086 0.000 1.083 316 S CA -0.974 57.163 58.200 -0.105 0.000 0.995 316 S CB 1.316 64.462 63.200 -0.091 0.000 1.058 316 S HN 0.516 nan 8.310 nan 0.000 0.488 317 I N 3.150 123.661 120.570 -0.099 0.000 2.478 317 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 317 I C -0.390 175.689 176.117 -0.063 0.000 1.042 317 I CA -0.660 60.594 61.300 -0.076 0.000 1.067 317 I CB 1.649 39.591 38.000 -0.097 0.000 1.233 317 I HN 0.989 nan 8.210 nan 0.000 0.431 318 M N 5.144 124.740 119.600 -0.007 0.000 2.535 318 M HA 0.987 5.467 4.480 -0.000 0.000 0.314 318 M C -0.445 175.867 176.300 0.020 0.000 1.153 318 M CA -0.244 55.067 55.300 0.018 0.000 0.924 318 M CB 2.963 35.618 32.600 0.092 0.000 1.710 318 M HN 0.551 nan 8.290 nan 0.000 0.451 319 G N 1.469 110.260 108.800 -0.015 0.000 2.387 319 G HA2 0.497 4.457 3.960 -0.000 0.000 0.294 319 G HA3 0.497 4.457 3.960 -0.000 0.000 0.294 319 G C -2.509 172.291 174.900 -0.166 0.000 1.509 319 G CA -1.142 43.929 45.100 -0.049 0.000 0.806 319 G HN 0.963 nan 8.290 nan 0.000 0.546 320 R N 0.262 120.558 120.500 -0.339 0.000 2.514 320 R HA 0.601 4.941 4.340 -0.000 0.000 0.301 320 R C -1.358 174.689 176.300 -0.420 0.000 0.962 320 R CA -0.650 55.113 56.100 -0.562 0.000 0.882 320 R CB 1.704 31.152 30.300 -1.420 0.000 1.143 320 R HN 0.385 nan 8.270 nan 0.000 0.452 321 D N 2.872 123.094 120.400 -0.297 0.000 2.443 321 D HA 0.109 4.749 4.640 -0.000 0.000 0.221 321 D C -0.002 176.187 176.300 -0.186 0.000 1.097 321 D CA -0.062 53.824 54.000 -0.191 0.000 0.865 321 D CB 1.059 41.779 40.800 -0.134 0.000 1.034 321 D HN 0.678 nan 8.370 nan 0.000 0.511 322 E N 1.994 122.094 120.200 -0.167 0.000 2.268 322 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 322 E C 1.087 177.654 176.600 -0.056 0.000 0.995 322 E CA 0.732 57.067 56.400 -0.109 0.000 0.836 322 E CB 0.458 30.134 29.700 -0.039 0.000 0.763 322 E HN 0.626 nan 8.360 nan 0.000 0.491 323 E N -0.087 120.083 120.200 -0.050 0.000 2.072 323 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 323 E C 2.194 178.772 176.600 -0.037 0.000 0.982 323 E CA 1.717 58.098 56.400 -0.032 0.000 0.803 323 E CB 0.044 29.728 29.700 -0.026 0.000 0.755 323 E HN 0.305 nan 8.360 nan 0.000 0.453 324 T N -3.648 110.874 114.554 -0.053 0.000 3.037 324 T HA 0.247 4.597 4.350 -0.000 0.000 0.252 324 T C 1.580 176.245 174.700 -0.058 0.000 1.073 324 T CA 0.568 62.637 62.100 -0.051 0.000 1.091 324 T CB 0.731 69.566 68.868 -0.056 0.000 0.935 324 T HN 0.271 nan 8.240 nan 0.000 0.488 325 G N 1.698 110.449 108.800 -0.082 0.000 2.162 325 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.260 325 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.260 325 G C 0.338 175.174 174.900 -0.106 0.000 0.976 325 G CA 0.038 45.082 45.100 -0.093 0.000 0.655 325 G HN 1.224 nan 8.290 nan 0.000 0.533 326 A N -0.272 122.482 122.820 -0.109 0.000 2.462 326 A HA 0.782 5.102 4.320 -0.000 0.000 0.243 326 A C 0.740 178.236 177.584 -0.145 0.000 1.076 326 A CA 1.203 53.176 52.037 -0.106 0.000 0.773 326 A CB 0.625 19.565 19.000 -0.101 0.000 1.010 326 A HN 2.140 nan 8.150 nan 0.000 0.493 327 A N 1.643 124.396 122.820 -0.111 0.000 2.386 327 A HA 0.757 5.077 4.320 -0.000 0.000 0.311 327 A C -0.688 176.850 177.584 -0.076 0.000 1.068 327 A CA -0.451 51.517 52.037 -0.114 0.000 0.743 327 A CB 0.905 19.857 19.000 -0.081 0.000 1.258 327 A HN 2.065 nan 8.150 nan 0.000 0.429 328 L N -0.445 120.731 121.223 -0.079 0.000 2.469 328 L HA 1.015 5.355 4.340 -0.000 0.000 0.256 328 L C -0.978 175.864 176.870 -0.047 0.000 1.006 328 L CA -0.829 53.971 54.840 -0.066 0.000 0.832 328 L CB 2.043 44.035 42.059 -0.111 0.000 1.421 328 L HN 0.633 nan 8.230 nan 0.000 0.410 329 M N 2.748 122.323 119.600 -0.043 0.000 2.183 329 M HA 0.650 5.130 4.480 -0.000 0.000 0.277 329 M C -2.289 173.951 176.300 -0.100 0.000 0.995 329 M CA -0.630 54.639 55.300 -0.052 0.000 0.969 329 M CB 1.693 34.289 32.600 -0.008 0.000 1.659 329 M HN 0.800 nan 8.290 nan 0.000 0.462 330 L N 6.434 127.571 121.223 -0.144 0.000 2.333 330 L HA 0.820 5.160 4.340 -0.000 0.000 0.280 330 L C -1.691 175.031 176.870 -0.246 0.000 1.004 330 L CA -0.392 54.337 54.840 -0.185 0.000 0.820 330 L CB 0.971 42.913 42.059 -0.195 0.000 1.247 330 L HN 0.817 nan 8.230 nan 0.000 0.416 331 I N 4.664 125.015 120.570 -0.365 0.000 2.534 331 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 331 I C -0.898 174.941 176.117 -0.463 0.000 1.077 331 I CA -0.618 60.355 61.300 -0.545 0.000 1.051 331 I CB 2.047 39.377 38.000 -1.117 0.000 1.234 331 I HN 0.592 nan 8.210 nan 0.000 0.425 332 Q N 4.066 123.743 119.800 -0.204 0.000 2.306 332 Q HA 0.429 4.769 4.340 -0.000 0.000 0.265 332 Q C -0.606 175.499 176.000 0.175 0.000 1.022 332 Q CA -0.927 54.887 55.803 0.017 0.000 0.853 332 Q CB 1.844 30.639 28.738 0.095 0.000 1.327 332 Q HN 0.655 nan 8.270 nan 0.000 0.449 333 N N 0.587 119.497 118.700 0.350 0.000 2.389 333 N HA 0.080 4.820 4.740 -0.000 0.000 0.237 333 N C -1.036 174.738 175.510 0.439 0.000 1.148 333 N CA -0.319 53.038 53.050 0.512 0.000 0.854 333 N CB 0.605 39.416 38.487 0.541 0.000 1.115 333 N HN 0.325 nan 8.380 nan 0.000 0.492 334 S N -0.977 114.919 115.700 0.327 0.000 2.503 334 S HA 0.867 5.337 4.470 -0.000 0.000 0.301 334 S C 0.159 174.895 174.600 0.226 0.000 1.087 334 S CA -0.623 57.778 58.200 0.334 0.000 1.042 334 S CB 1.881 65.210 63.200 0.215 0.000 1.043 334 S HN 0.556 nan 8.310 nan 0.000 0.489 335 G N 0.477 109.430 108.800 0.254 0.000 2.866 335 G HA2 0.874 4.834 3.960 -0.000 0.000 0.289 335 G HA3 0.874 4.834 3.960 -0.000 0.000 0.289 335 G C -1.637 173.385 174.900 0.205 0.000 1.396 335 G CA -0.430 44.769 45.100 0.166 0.000 0.848 335 G HN 1.016 nan 8.290 nan 0.000 0.515 336 A N -1.977 120.929 122.820 0.144 0.000 2.601 336 A HA 0.715 5.035 4.320 -0.000 0.000 0.291 336 A C 0.747 178.370 177.584 0.064 0.000 1.075 336 A CA 0.444 52.578 52.037 0.162 0.000 0.671 336 A CB 0.901 20.024 19.000 0.206 0.000 1.277 336 A HN 1.873 nan 8.150 nan 0.000 0.417 337 G N -0.650 108.194 108.800 0.073 0.000 2.650 337 G HA2 0.239 4.199 3.960 -0.000 0.000 0.214 337 G HA3 0.239 4.199 3.960 -0.000 0.000 0.214 337 G C 0.027 174.833 174.900 -0.156 0.000 1.136 337 G CA 1.204 46.287 45.100 -0.028 0.000 0.789 337 G HN 0.700 nan 8.290 nan 0.000 0.536 338 D N -1.123 119.227 120.400 -0.084 0.000 2.344 338 D HA 0.380 5.020 4.640 -0.000 0.000 0.239 338 D C 0.710 176.975 176.300 -0.058 0.000 1.064 338 D CA -1.027 52.917 54.000 -0.093 0.000 0.829 338 D CB 0.842 41.661 40.800 0.032 0.000 1.129 338 D HN -0.084 nan 8.370 nan 0.000 0.506 339 F N 1.354 121.324 119.950 0.033 0.000 2.287 339 F HA -0.090 4.437 4.527 -0.000 0.000 0.301 339 F C 2.186 178.003 175.800 0.028 0.000 1.069 339 F CA 0.852 58.861 58.000 0.016 0.000 1.372 339 F CB -0.044 38.944 39.000 -0.019 0.000 1.056 339 F HN 0.483 nan 8.300 nan 0.000 0.523 340 E N -0.320 120.004 120.200 0.206 0.000 2.442 340 E HA 0.001 4.351 4.350 -0.000 0.000 0.195 340 E C 0.978 177.649 176.600 0.119 0.000 1.030 340 E CA 0.096 56.583 56.400 0.145 0.000 0.869 340 E CB -0.103 29.671 29.700 0.124 0.000 0.857 340 E HN 0.150 nan 8.360 nan 0.000 0.505 341 S N 0.247 116.017 115.700 0.116 0.000 2.560 341 S HA -0.052 4.418 4.470 -0.000 0.000 0.284 341 S C 1.001 175.647 174.600 0.076 0.000 1.327 341 S CA -0.467 57.809 58.200 0.127 0.000 1.055 341 S CB 0.236 63.536 63.200 0.168 0.000 0.868 341 S HN 0.190 nan 8.310 nan 0.000 0.506 342 F N 5.337 125.217 119.950 -0.117 0.000 2.192 342 F HA -0.117 4.410 4.527 -0.000 0.000 0.301 342 F C 1.072 176.653 175.800 -0.365 0.000 1.079 342 F CA 1.633 59.460 58.000 -0.288 0.000 1.303 342 F CB -0.540 38.171 39.000 -0.482 0.000 1.024 342 F HN 0.798 nan 8.300 nan 0.000 0.494 343 Y N -0.961 119.170 120.300 -0.281 0.000 2.583 343 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 343 Y C 1.772 177.525 175.900 -0.245 0.000 1.157 343 Y CA 0.382 58.229 58.100 -0.422 0.000 1.315 343 Y CB -0.435 37.783 38.460 -0.404 0.000 1.021 343 Y HN 0.200 nan 8.280 nan 0.000 0.536 344 L N 0.618 121.815 121.223 -0.044 0.000 2.471 344 L HA 0.066 4.406 4.340 -0.000 0.000 0.186 344 L C 2.234 179.080 176.870 -0.040 0.000 1.191 344 L CA 1.352 56.192 54.840 0.000 0.000 0.835 344 L CB -0.823 41.279 42.059 0.070 0.000 1.092 344 L HN 0.110 nan 8.230 nan 0.000 0.495 345 K N -0.956 119.438 120.400 -0.010 0.000 2.365 345 K HA 0.041 4.361 4.320 -0.000 0.000 0.199 345 K C 1.551 178.126 176.600 -0.043 0.000 1.045 345 K CA 1.196 57.484 56.287 0.002 0.000 0.962 345 K CB -0.720 31.809 32.500 0.049 0.000 0.759 345 K HN 0.328 nan 8.250 nan 0.000 0.469 346 G N 1.169 109.867 108.800 -0.170 0.000 2.679 346 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.212 346 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.212 346 G C 1.314 176.147 174.900 -0.112 0.000 1.137 346 G CA 0.285 45.271 45.100 -0.191 0.000 0.787 346 G HN 0.207 nan 8.290 nan 0.000 0.534 347 V N 1.224 121.063 119.914 -0.125 0.000 2.469 347 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 347 V C 2.282 178.305 176.094 -0.119 0.000 1.064 347 V CA 2.117 64.354 62.300 -0.106 0.000 1.066 347 V CB -0.345 31.432 31.823 -0.076 0.000 0.667 347 V HN 0.431 nan 8.190 nan 0.000 0.461 348 N N -0.152 118.538 118.700 -0.017 0.000 2.381 348 N HA -0.139 4.601 4.740 -0.000 0.000 0.182 348 N C 1.620 177.181 175.510 0.085 0.000 1.025 348 N CA 1.422 54.542 53.050 0.116 0.000 0.888 348 N CB -0.068 38.521 38.487 0.170 0.000 0.965 348 N HN 0.683 nan 8.380 nan 0.000 0.438 349 E N 0.790 120.996 120.200 0.009 0.000 2.028 349 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 349 E C -0.750 175.793 176.600 -0.095 0.000 0.988 349 E CA 0.867 57.275 56.400 0.013 0.000 0.799 349 E CB -0.776 28.989 29.700 0.107 0.000 0.755 349 E HN 0.382 nan 8.360 nan 0.000 0.447 350 P HA -0.077 nan 4.420 nan 0.000 0.221 350 P C 1.627 178.767 177.300 -0.267 0.000 1.150 350 P CA 0.898 63.822 63.100 -0.294 0.000 0.800 350 P CB 0.067 31.461 31.700 -0.509 0.000 0.787 351 V N 1.385 121.121 119.914 -0.298 0.000 2.255 351 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 351 V C 2.533 178.394 176.094 -0.390 0.000 1.051 351 V CA 2.400 64.453 62.300 -0.412 0.000 1.018 351 V CB -1.401 30.052 31.823 -0.617 0.000 0.641 351 V HN 0.114 nan 8.190 nan 0.000 0.445 352 D N -0.030 120.246 120.400 -0.208 0.000 2.106 352 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 352 D C 2.404 178.661 176.300 -0.071 0.000 0.997 352 D CA 1.352 55.341 54.000 -0.019 0.000 0.834 352 D CB -0.137 40.746 40.800 0.138 0.000 0.956 352 D HN 0.192 nan 8.370 nan 0.000 0.448 353 R N 0.248 120.698 120.500 -0.084 0.000 2.105 353 R HA -0.083 4.257 4.340 -0.000 0.000 0.239 353 R C 2.484 178.714 176.300 -0.117 0.000 1.135 353 R CA 0.431 56.480 56.100 -0.085 0.000 0.967 353 R CB -1.130 29.122 30.300 -0.080 0.000 0.861 353 R HN 0.240 nan 8.270 nan 0.000 0.442 354 V N 1.563 121.377 119.914 -0.166 0.000 2.307 354 V HA -0.189 3.930 4.120 -0.000 0.000 0.245 354 V C 2.534 178.534 176.094 -0.157 0.000 1.045 354 V CA 1.449 63.639 62.300 -0.184 0.000 1.024 354 V CB -0.484 31.199 31.823 -0.233 0.000 0.651 354 V HN 0.169 nan 8.190 nan 0.000 0.449 355 L N -0.400 120.723 121.223 -0.167 0.000 2.046 355 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 355 L C 2.546 179.366 176.870 -0.083 0.000 1.077 355 L CA 1.722 56.484 54.840 -0.131 0.000 0.747 355 L CB -0.553 41.419 42.059 -0.145 0.000 0.896 355 L HN 0.358 nan 8.230 nan 0.000 0.432 356 E N -0.161 119.998 120.200 -0.068 0.000 2.110 356 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 356 E C 2.277 178.846 176.600 -0.052 0.000 0.988 356 E CA 1.092 57.464 56.400 -0.046 0.000 0.804 356 E CB -0.082 29.598 29.700 -0.034 0.000 0.745 356 E HN 0.494 nan 8.360 nan 0.000 0.458 357 A N 0.742 123.521 122.820 -0.068 0.000 1.898 357 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 357 A C 2.115 179.663 177.584 -0.060 0.000 1.181 357 A CA 1.028 53.026 52.037 -0.066 0.000 0.620 357 A CB -0.534 18.414 19.000 -0.085 0.000 0.819 357 A HN 0.166 nan 8.150 nan 0.000 0.442 358 I N -0.360 120.167 120.570 -0.071 0.000 2.163 358 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 358 I C 2.528 178.618 176.117 -0.044 0.000 1.085 358 I CA 2.041 63.305 61.300 -0.059 0.000 1.347 358 I CB -0.239 37.719 38.000 -0.070 0.000 1.044 358 I HN 0.377 nan 8.210 nan 0.000 0.408 359 K N 1.297 121.671 120.400 -0.043 0.000 2.032 359 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 359 K C 1.736 178.320 176.600 -0.027 0.000 1.048 359 K CA 2.172 58.440 56.287 -0.032 0.000 0.927 359 K CB -0.175 32.308 32.500 -0.029 0.000 0.712 359 K HN 0.339 nan 8.250 nan 0.000 0.441 360 N N -0.289 118.394 118.700 -0.028 0.000 2.453 360 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 360 N C 1.508 177.005 175.510 -0.021 0.000 1.041 360 N CA 1.073 54.109 53.050 -0.023 0.000 0.900 360 N CB 0.120 38.592 38.487 -0.024 0.000 0.961 360 N HN 0.302 nan 8.380 nan 0.000 0.443 361 S N 0.411 116.097 115.700 -0.024 0.000 2.446 361 S HA 0.044 4.514 4.470 -0.000 0.000 0.225 361 S C 1.614 176.204 174.600 -0.016 0.000 1.016 361 S CA 0.267 58.456 58.200 -0.019 0.000 0.943 361 S CB 0.031 63.219 63.200 -0.020 0.000 0.786 361 S HN 0.163 nan 8.310 nan 0.000 0.508 362 R N 1.906 122.395 120.500 -0.018 0.000 2.328 362 R HA 0.229 4.569 4.340 -0.000 0.000 0.200 362 R C 0.713 177.005 176.300 -0.013 0.000 0.983 362 R CA 0.443 56.534 56.100 -0.015 0.000 1.062 362 R CB 0.037 30.326 30.300 -0.018 0.000 0.956 362 R HN 0.628 nan 8.270 nan 0.000 0.479 363 S N 0.000 115.692 115.700 -0.013 0.000 2.498 363 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 363 S CA 0.000 58.194 58.200 -0.011 0.000 1.107 363 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517