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 3ept_1_A DATA FIRST_RESID 3 DATA SEQUENCE APIETDVLIL GGGPVGMALA LDLAHRQVGH LVVEQTDGTI THPRVGTIGP DATA SEQUENCE RSMELFRRWG VAKQIRTAGW PGDHPLDAAW VTRVGGHEVY RIPLGTADTR DATA SEQUENCE ATPEHTPEPD AICPQHWLAP LLAEAVGERL RTRSRLDSFE QRDDHVRATI DATA SEQUENCE TDLRTGATRA VHARYLVACD GASSPTRKAL GIDAPPRHRT QVFRNILFRA DATA SEQUENCE PELRSLLGER AALFFFLMLS SSLRFPLRAL DGRGLYRLTV GVDDXXXXTM DATA SEQUENCE DSFELVRRAV AFDTEIEVLS DSEWHLTHRV ADSFSAGRVF LTGDAAHTLS DATA SEQUENCE PSGGFGMNTG IGSAADLGWK LAATLRGWAG PGLLATYEEE RRPVAITSLE DATA SEQUENCE EANVNLRRTM DRELPPGLHD DGPRGERIRA AVAEKLERSG ARREFDAPGI DATA SEQUENCE HFGHTYRSSI VCGEXXXXXX XGGWRPSARP GARAPHAWLT PTTSTLDLFG DATA SEQUENCE RGFVLLSFGT TDGVEAVTRA FADRHVPLET VTCHAPEIHA LYERAHVLVR DATA SEQUENCE PDGHVAWRGD HLPAELGGLV DKVRGAA 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.524 177.584 -0.100 0.000 1.274 3 A CA 0.000 52.000 52.037 -0.061 0.000 0.836 3 A CB 0.000 18.970 19.000 -0.051 0.000 0.831 4 P HA 0.315 nan 4.420 nan 0.000 0.261 4 P C -0.722 176.441 177.300 -0.229 0.000 1.183 4 P CA 0.390 63.306 63.100 -0.307 0.000 0.761 4 P CB 0.072 31.450 31.700 -0.537 0.000 0.785 5 I N 3.876 124.334 120.570 -0.187 0.000 2.337 5 I HA 0.113 4.283 4.170 0.000 0.000 0.291 5 I C 0.942 177.005 176.117 -0.089 0.000 1.046 5 I CA -0.290 60.947 61.300 -0.105 0.000 1.324 5 I CB 0.445 38.406 38.000 -0.065 0.000 1.409 5 I HN 0.443 nan 8.210 nan 0.000 0.494 6 E N 4.751 124.918 120.200 -0.055 0.000 2.145 6 E HA 0.537 4.887 4.350 0.000 0.000 0.270 6 E C -0.833 175.772 176.600 0.007 0.000 0.906 6 E CA -0.707 55.694 56.400 0.002 0.000 0.761 6 E CB 2.323 32.028 29.700 0.010 0.000 1.116 6 E HN 0.391 nan 8.360 nan 0.000 0.408 7 T N 1.261 115.832 114.554 0.028 0.000 2.907 7 T HA 0.159 4.509 4.350 0.000 0.000 0.290 7 T C -0.041 174.689 174.700 0.049 0.000 1.066 7 T CA -0.471 61.644 62.100 0.026 0.000 1.012 7 T CB 1.771 70.648 68.868 0.015 0.000 1.184 7 T HN 0.430 nan 8.240 nan 0.000 0.522 8 D N 0.269 120.706 120.400 0.061 0.000 2.120 8 D HA 0.129 4.769 4.640 0.000 0.000 0.202 8 D C 0.249 176.627 176.300 0.129 0.000 0.972 8 D CA 1.220 55.274 54.000 0.089 0.000 0.837 8 D CB 0.255 41.113 40.800 0.095 0.000 0.989 8 D HN 0.264 nan 8.370 nan 0.000 0.469 9 V N 1.770 121.759 119.914 0.125 0.000 2.482 9 V HA 0.230 4.350 4.120 0.000 0.000 0.295 9 V C -0.712 175.446 176.094 0.106 0.000 1.026 9 V CA -0.940 61.436 62.300 0.127 0.000 0.856 9 V CB 2.198 34.071 31.823 0.082 0.000 1.001 9 V HN -0.033 nan 8.190 nan 0.000 0.424 10 L N 7.134 128.408 121.223 0.085 0.000 2.260 10 L HA 0.583 4.923 4.340 0.000 0.000 0.289 10 L C -0.354 176.536 176.870 0.034 0.000 1.057 10 L CA 0.380 55.254 54.840 0.057 0.000 0.811 10 L CB 0.635 42.725 42.059 0.053 0.000 1.184 10 L HN 0.551 nan 8.230 nan 0.000 0.429 11 I N 6.441 127.031 120.570 0.033 0.000 2.291 11 I HA 0.142 4.312 4.170 0.000 0.000 0.290 11 I C -0.421 175.691 176.117 -0.009 0.000 1.050 11 I CA -0.698 60.603 61.300 0.003 0.000 1.245 11 I CB 1.177 39.182 38.000 0.009 0.000 1.405 11 I HN 0.507 nan 8.210 nan 0.000 0.478 12 L N 8.145 129.348 121.223 -0.034 0.000 2.433 12 L HA 0.617 4.957 4.340 0.000 0.000 0.284 12 L C 0.335 177.183 176.870 -0.036 0.000 1.120 12 L CA 0.431 55.246 54.840 -0.041 0.000 0.879 12 L CB -0.385 41.624 42.059 -0.082 0.000 1.232 12 L HN 0.742 nan 8.230 nan 0.000 0.454 13 G N 2.822 111.611 108.800 -0.019 0.000 2.931 13 G HA2 0.217 4.177 3.960 0.000 0.000 0.675 13 G HA3 0.217 4.177 3.960 0.000 0.000 0.675 13 G C 0.037 174.934 174.900 -0.006 0.000 1.339 13 G CA -0.490 44.601 45.100 -0.015 0.000 0.866 13 G HN 0.946 nan 8.290 nan 0.000 0.616 14 G N 0.257 109.057 108.800 0.001 0.000 3.502 14 G HA2 0.621 4.581 3.960 0.000 0.000 0.267 14 G HA3 0.621 4.581 3.960 0.000 0.000 0.267 14 G C 1.003 175.910 174.900 0.012 0.000 1.090 14 G CA 1.047 46.152 45.100 0.008 0.000 0.795 14 G HN 1.351 nan 8.290 nan 0.000 0.535 15 G N 0.695 109.500 108.800 0.009 0.000 2.683 15 G HA2 0.361 4.321 3.960 0.000 0.000 0.260 15 G HA3 0.361 4.321 3.960 0.000 0.000 0.260 15 G C -0.889 174.030 174.900 0.031 0.000 1.238 15 G CA -0.682 44.428 45.100 0.016 0.000 0.934 15 G HN -0.025 nan 8.290 nan 0.000 0.534 16 P HA -0.134 nan 4.420 nan 0.000 0.215 16 P C 2.094 179.448 177.300 0.091 0.000 1.157 16 P CA 1.125 64.279 63.100 0.091 0.000 0.874 16 P CB 0.001 31.764 31.700 0.105 0.000 0.790 17 V N -0.022 119.929 119.914 0.062 0.000 2.261 17 V HA -0.183 3.937 4.120 0.000 0.000 0.246 17 V C 2.659 178.755 176.094 0.003 0.000 1.047 17 V CA 2.541 64.867 62.300 0.044 0.000 1.015 17 V CB -2.093 29.747 31.823 0.029 0.000 0.642 17 V HN 0.173 nan 8.190 nan 0.000 0.446 18 G N -0.496 108.298 108.800 -0.010 0.000 2.475 18 G HA2 -0.260 3.700 3.960 0.000 0.000 0.220 18 G HA3 -0.260 3.700 3.960 0.000 0.000 0.220 18 G C 1.517 176.395 174.900 -0.036 0.000 1.125 18 G CA 1.182 46.264 45.100 -0.030 0.000 0.755 18 G HN 0.328 nan 8.290 nan 0.000 0.565 19 M N 0.732 120.326 119.600 -0.011 0.000 2.193 19 M HA 0.190 4.670 4.480 0.000 0.000 0.265 19 M C 3.064 179.320 176.300 -0.073 0.000 1.071 19 M CA 1.094 56.385 55.300 -0.015 0.000 1.140 19 M CB -1.181 31.437 32.600 0.030 0.000 1.369 19 M HN 0.295 nan 8.290 nan 0.000 0.423 20 A N 0.640 123.441 122.820 -0.032 0.000 1.908 20 A HA -0.177 4.143 4.320 0.000 0.000 0.218 20 A C 2.303 179.662 177.584 -0.375 0.000 1.181 20 A CA 1.379 53.334 52.037 -0.138 0.000 0.627 20 A CB -1.051 17.978 19.000 0.048 0.000 0.818 20 A HN 0.471 nan 8.150 nan 0.000 0.445 21 L N -0.785 120.308 121.223 -0.217 0.000 1.989 21 L HA -0.225 4.116 4.340 0.000 0.000 0.211 21 L C 2.968 179.614 176.870 -0.374 0.000 1.071 21 L CA 1.694 56.386 54.840 -0.247 0.000 0.749 21 L CB -0.615 41.339 42.059 -0.176 0.000 0.890 21 L HN 0.453 nan 8.230 nan 0.000 0.431 22 A N 0.008 122.628 122.820 -0.334 0.000 1.892 22 A HA -0.260 4.061 4.320 0.000 0.000 0.218 22 A C 2.180 179.453 177.584 -0.518 0.000 1.188 22 A CA 1.872 53.632 52.037 -0.463 0.000 0.631 22 A CB -0.886 18.053 19.000 -0.102 0.000 0.822 22 A HN 0.500 nan 8.150 nan 0.000 0.447 23 L N -0.835 120.098 121.223 -0.483 0.000 2.012 23 L HA -0.254 4.086 4.340 0.000 0.000 0.210 23 L C 2.461 178.809 176.870 -0.869 0.000 1.073 23 L CA 2.032 56.494 54.840 -0.630 0.000 0.748 23 L CB -0.581 40.975 42.059 -0.839 0.000 0.891 23 L HN 0.556 nan 8.230 nan 0.000 0.431 24 D N 0.009 119.777 120.400 -1.054 0.000 2.078 24 D HA -0.196 4.444 4.640 0.000 0.000 0.193 24 D C 2.325 178.527 176.300 -0.162 0.000 0.990 24 D CA 1.201 54.918 54.000 -0.472 0.000 0.827 24 D CB -0.069 40.680 40.800 -0.085 0.000 0.975 24 D HN 0.150 nan 8.370 nan 0.000 0.451 25 L N 0.190 121.247 121.223 -0.277 0.000 2.089 25 L HA -0.263 4.077 4.340 0.000 0.000 0.213 25 L C 2.603 179.398 176.870 -0.124 0.000 1.079 25 L CA 1.290 55.990 54.840 -0.233 0.000 0.758 25 L CB -0.682 41.093 42.059 -0.474 0.000 0.891 25 L HN 0.142 nan 8.230 nan 0.000 0.433 26 A N -0.411 122.310 122.820 -0.165 0.000 1.865 26 A HA -0.265 4.055 4.320 0.000 0.000 0.217 26 A C 1.962 179.568 177.584 0.037 0.000 1.191 26 A CA 1.944 53.992 52.037 0.018 0.000 0.623 26 A CB -0.903 18.116 19.000 0.031 0.000 0.826 26 A HN 0.448 nan 8.150 nan 0.000 0.444 27 H N -0.709 118.367 119.070 0.010 0.000 2.518 27 H HA 0.044 4.600 4.556 0.000 0.000 0.289 27 H C 1.536 176.934 175.328 0.117 0.000 1.051 27 H CA 1.232 57.346 56.048 0.110 0.000 1.280 27 H CB -0.004 29.900 29.762 0.236 0.000 1.380 27 H HN 0.425 nan 8.280 nan 0.000 0.566 28 R N 1.035 121.651 120.500 0.194 0.000 2.426 28 R HA 0.024 4.364 4.340 0.000 0.000 0.263 28 R C -0.047 176.329 176.300 0.128 0.000 0.961 28 R CA 0.029 56.232 56.100 0.171 0.000 1.086 28 R CB 0.457 30.861 30.300 0.173 0.000 1.186 28 R HN 0.247 nan 8.270 nan 0.000 0.537 29 Q N -1.110 118.749 119.800 0.099 0.000 2.457 29 Q HA -0.151 4.189 4.340 0.000 0.000 0.283 29 Q C -0.507 175.550 176.000 0.094 0.000 1.234 29 Q CA 0.728 56.583 55.803 0.086 0.000 0.877 29 Q CB -2.667 26.121 28.738 0.083 0.000 1.250 29 Q HN 0.143 nan 8.270 nan 0.000 0.481 30 V N 0.301 120.275 119.914 0.100 0.000 2.407 30 V HA 0.578 4.698 4.120 0.000 0.000 0.278 30 V C 1.310 177.509 176.094 0.175 0.000 1.037 30 V CA -0.074 62.288 62.300 0.103 0.000 0.900 30 V CB 1.748 33.602 31.823 0.053 0.000 0.983 30 V HN 0.422 nan 8.190 nan 0.000 0.459 31 G N 5.290 114.164 108.800 0.124 0.000 2.299 31 G HA2 0.397 4.357 3.960 0.000 0.000 0.256 31 G HA3 0.397 4.357 3.960 0.000 0.000 0.256 31 G C -0.144 174.842 174.900 0.144 0.000 1.259 31 G CA 0.087 45.246 45.100 0.099 0.000 0.943 31 G HN 0.980 nan 8.290 nan 0.000 0.479 32 H N 0.670 119.738 119.070 -0.004 0.000 2.990 32 H HA 0.732 5.288 4.556 0.000 0.000 0.343 32 H C -1.943 173.377 175.328 -0.013 0.000 1.270 32 H CA -1.266 54.776 56.048 -0.010 0.000 1.118 32 H CB 1.907 31.652 29.762 -0.028 0.000 1.861 32 H HN 0.576 nan 8.280 nan 0.000 0.544 33 L N 1.261 122.447 121.223 -0.062 0.000 2.505 33 L HA 0.555 4.895 4.340 0.000 0.000 0.259 33 L C -1.743 175.139 176.870 0.020 0.000 0.952 33 L CA -0.856 53.925 54.840 -0.100 0.000 0.840 33 L CB 2.110 44.129 42.059 -0.067 0.000 1.358 33 L HN 0.492 nan 8.230 nan 0.000 0.409 34 V N 4.498 124.422 119.914 0.017 0.000 2.448 34 V HA 0.484 4.604 4.120 0.000 0.000 0.295 34 V C -0.321 175.779 176.094 0.011 0.000 1.025 34 V CA -0.628 61.693 62.300 0.034 0.000 0.859 34 V CB 1.855 33.710 31.823 0.053 0.000 0.988 34 V HN 0.524 nan 8.190 nan 0.000 0.431 35 V N 1.653 121.572 119.914 0.008 0.000 2.398 35 V HA 0.889 5.010 4.120 0.000 0.000 0.286 35 V C -0.595 175.502 176.094 0.005 0.000 1.026 35 V CA -0.566 61.737 62.300 0.005 0.000 0.868 35 V CB 1.607 33.433 31.823 0.006 0.000 0.982 35 V HN 0.872 nan 8.190 nan 0.000 0.443 36 E N 3.826 124.029 120.200 0.006 0.000 2.218 36 E HA 0.347 4.697 4.350 0.000 0.000 0.263 36 E C 0.831 177.436 176.600 0.008 0.000 0.879 36 E CA -0.353 56.051 56.400 0.006 0.000 0.762 36 E CB 2.248 31.953 29.700 0.008 0.000 1.166 36 E HN 0.851 nan 8.360 nan 0.000 0.415 37 Q N 2.666 122.471 119.800 0.008 0.000 2.020 37 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 37 Q C 0.674 176.680 176.000 0.010 0.000 0.982 37 Q CA 1.461 57.270 55.803 0.010 0.000 0.838 37 Q CB -0.855 27.889 28.738 0.011 0.000 0.899 37 Q HN 0.595 nan 8.270 nan 0.000 0.423 38 T N 0.607 115.167 114.554 0.010 0.000 2.734 38 T HA -0.072 4.278 4.350 0.000 0.000 0.314 38 T C 0.915 175.622 174.700 0.012 0.000 1.057 38 T CA 0.019 62.126 62.100 0.012 0.000 1.047 38 T CB 0.630 69.506 68.868 0.013 0.000 0.991 38 T HN 0.471 nan 8.240 nan 0.000 0.540 39 D N -0.543 119.865 120.400 0.013 0.000 2.348 39 D HA 0.065 4.705 4.640 0.000 0.000 0.216 39 D C 1.502 177.811 176.300 0.016 0.000 0.970 39 D CA 0.938 54.946 54.000 0.013 0.000 0.889 39 D CB -0.730 40.078 40.800 0.013 0.000 0.912 39 D HN 1.205 nan 8.370 nan 0.000 0.524 40 G N -0.152 108.659 108.800 0.018 0.000 2.192 40 G HA2 -0.185 3.775 3.960 0.000 0.000 0.193 40 G HA3 -0.185 3.775 3.960 0.000 0.000 0.193 40 G C 0.331 175.249 174.900 0.029 0.000 0.999 40 G CA 0.224 45.337 45.100 0.021 0.000 0.659 40 G HN 0.722 nan 8.290 nan 0.000 0.503 41 T N -0.216 114.356 114.554 0.030 0.000 2.895 41 T HA 0.758 5.108 4.350 0.000 0.000 0.283 41 T C 0.109 174.831 174.700 0.038 0.000 1.014 41 T CA -0.995 61.129 62.100 0.040 0.000 1.037 41 T CB 2.352 71.242 68.868 0.038 0.000 1.006 41 T HN 0.291 nan 8.240 nan 0.000 0.468 42 I N 3.601 124.200 120.570 0.049 0.000 2.371 42 I HA 0.202 4.372 4.170 0.000 0.000 0.290 42 I C 1.808 177.932 176.117 0.011 0.000 1.028 42 I CA -0.423 60.900 61.300 0.038 0.000 1.345 42 I CB 0.751 38.786 38.000 0.058 0.000 1.407 42 I HN 1.085 nan 8.210 nan 0.000 0.501 43 T N 2.088 116.653 114.554 0.018 0.000 2.904 43 T HA -0.028 4.322 4.350 0.000 0.000 0.243 43 T C 0.794 175.499 174.700 0.009 0.000 1.024 43 T CA 0.686 62.793 62.100 0.013 0.000 1.158 43 T CB -0.037 68.854 68.868 0.039 0.000 0.867 43 T HN 0.576 nan 8.240 nan 0.000 0.429 44 H N 2.944 121.984 119.070 -0.050 0.000 2.725 44 H HA 0.476 5.032 4.556 0.000 0.000 0.283 44 H C -3.098 172.182 175.328 -0.081 0.000 1.110 44 H CA -2.683 53.325 56.048 -0.066 0.000 1.289 44 H CB 0.965 30.698 29.762 -0.048 0.000 1.400 44 H HN 0.149 nan 8.280 nan 0.000 0.493 45 P HA 0.094 nan 4.420 nan 0.000 0.262 45 P C 0.652 177.908 177.300 -0.073 0.000 1.199 45 P CA 0.156 63.188 63.100 -0.113 0.000 0.763 45 P CB 1.144 32.771 31.700 -0.122 0.000 0.790 46 R N 2.279 122.780 120.500 0.000 0.000 2.038 46 R HA 0.098 4.438 4.340 0.000 0.000 0.214 46 R C 0.372 176.615 176.300 -0.094 0.000 1.249 46 R CA 0.358 56.435 56.100 -0.037 0.000 1.025 46 R CB -0.443 29.811 30.300 -0.076 0.000 0.911 46 R HN 0.397 nan 8.270 nan 0.000 0.456 47 V N -0.256 119.614 119.914 -0.073 0.000 2.673 47 V HA 0.303 4.423 4.120 0.000 0.000 0.303 47 V C 0.659 176.688 176.094 -0.107 0.000 1.046 47 V CA 0.611 62.870 62.300 -0.068 0.000 1.126 47 V CB 1.278 33.086 31.823 -0.026 0.000 0.934 47 V HN 0.516 nan 8.190 nan 0.000 0.487 48 G N 3.087 111.819 108.800 -0.114 0.000 2.633 48 G HA2 0.234 4.194 3.960 0.000 0.000 0.198 48 G HA3 0.234 4.194 3.960 0.000 0.000 0.198 48 G C 0.449 175.248 174.900 -0.169 0.000 1.198 48 G CA 0.412 45.402 45.100 -0.184 0.000 0.685 48 G HN 0.745 nan 8.290 nan 0.000 0.868 49 T N 2.116 116.620 114.554 -0.083 0.000 2.749 49 T HA 0.592 4.942 4.350 0.000 0.000 0.287 49 T C -0.344 174.353 174.700 -0.005 0.000 0.970 49 T CA -0.101 61.968 62.100 -0.053 0.000 0.980 49 T CB 1.955 70.843 68.868 0.033 0.000 0.924 49 T HN 0.055 nan 8.240 nan 0.000 0.456 50 I N 2.726 123.284 120.570 -0.020 0.000 2.315 50 I HA 0.372 4.542 4.170 0.000 0.000 0.291 50 I C 1.279 177.374 176.117 -0.036 0.000 1.006 50 I CA -0.803 60.515 61.300 0.029 0.000 1.265 50 I CB 1.051 39.096 38.000 0.075 0.000 1.387 50 I HN 0.702 nan 8.210 nan 0.000 0.475 51 G N 7.423 116.177 108.800 -0.077 0.000 2.432 51 G HA2 0.106 4.066 3.960 0.000 0.000 0.239 51 G HA3 0.106 4.066 3.960 0.000 0.000 0.239 51 G C -1.181 173.498 174.900 -0.368 0.000 1.291 51 G CA -0.768 44.114 45.100 -0.363 0.000 0.863 51 G HN 0.484 nan 8.290 nan 0.000 0.560 52 P HA -0.216 nan 4.420 nan 0.000 0.216 52 P C 1.599 178.760 177.300 -0.232 0.000 1.150 52 P CA 0.938 63.868 63.100 -0.284 0.000 0.843 52 P CB 0.308 31.861 31.700 -0.246 0.000 0.787 53 R N 0.569 120.809 120.500 -0.434 0.000 2.115 53 R HA 0.038 4.378 4.340 0.000 0.000 0.226 53 R C 2.283 178.458 176.300 -0.208 0.000 1.100 53 R CA 1.741 57.695 56.100 -0.244 0.000 0.980 53 R CB -1.438 28.685 30.300 -0.294 0.000 0.875 53 R HN 0.024 nan 8.270 nan 0.000 0.445 54 S N 0.104 115.676 115.700 -0.214 0.000 2.428 54 S HA -0.016 4.454 4.470 0.000 0.000 0.230 54 S C 1.583 176.057 174.600 -0.210 0.000 1.014 54 S CA 1.082 59.137 58.200 -0.241 0.000 0.957 54 S CB -0.075 63.068 63.200 -0.095 0.000 0.784 54 S HN 0.242 nan 8.310 nan 0.000 0.499 55 M N 1.277 120.849 119.600 -0.047 0.000 2.349 55 M HA 0.058 4.538 4.480 0.000 0.000 0.266 55 M C 1.781 178.067 176.300 -0.024 0.000 1.076 55 M CA 1.035 56.380 55.300 0.076 0.000 1.126 55 M CB -1.100 31.527 32.600 0.045 0.000 1.392 55 M HN 0.360 nan 8.290 nan 0.000 0.440 56 E N 0.166 120.298 120.200 -0.114 0.000 2.107 56 E HA -0.092 4.258 4.350 0.000 0.000 0.191 56 E C 2.150 178.576 176.600 -0.290 0.000 0.982 56 E CA 0.804 57.116 56.400 -0.148 0.000 0.809 56 E CB -0.029 29.611 29.700 -0.100 0.000 0.756 56 E HN 0.428 nan 8.360 nan 0.000 0.459 57 L N -0.075 120.866 121.223 -0.470 0.000 2.027 57 L HA -0.128 4.212 4.340 0.000 0.000 0.206 57 L C 2.200 178.507 176.870 -0.939 0.000 1.074 57 L CA 0.836 55.099 54.840 -0.962 0.000 0.745 57 L CB -0.294 41.024 42.059 -1.235 0.000 0.898 57 L HN 0.100 nan 8.230 nan 0.000 0.433 58 F N 0.111 119.858 119.950 -0.337 0.000 2.333 58 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 58 F C 2.702 178.469 175.800 -0.054 0.000 1.083 58 F CA 1.010 58.996 58.000 -0.022 0.000 1.395 58 F CB -0.646 38.396 39.000 0.069 0.000 1.056 58 F HN 0.020 nan 8.300 nan 0.000 0.529 59 R N 0.554 121.068 120.500 0.024 0.000 2.075 59 R HA -0.156 4.184 4.340 0.000 0.000 0.232 59 R C 2.514 178.790 176.300 -0.039 0.000 1.126 59 R CA 1.394 57.497 56.100 0.004 0.000 0.963 59 R CB -0.225 30.049 30.300 -0.043 0.000 0.858 59 R HN 0.197 nan 8.270 nan 0.000 0.435 60 R N -0.269 120.107 120.500 -0.206 0.000 2.066 60 R HA -0.128 4.212 4.340 0.000 0.000 0.232 60 R C 1.261 177.479 176.300 -0.137 0.000 1.131 60 R CA 1.468 57.427 56.100 -0.236 0.000 0.955 60 R CB -0.207 29.804 30.300 -0.481 0.000 0.851 60 R HN 0.327 nan 8.270 nan 0.000 0.432 61 W N 0.785 121.953 121.300 -0.219 0.000 3.204 61 W HA 0.255 4.915 4.660 -0.000 0.000 0.249 61 W C 0.717 177.302 176.519 0.109 0.000 1.322 61 W CA 0.705 57.860 57.345 -0.317 0.000 1.593 61 W CB -0.925 28.447 29.460 -0.148 0.000 1.122 61 W HN 0.470 nan 8.180 nan 0.000 0.710 62 G N 1.357 110.329 108.800 0.287 0.000 2.350 62 G HA2 -0.172 3.788 3.960 0.000 0.000 0.298 62 G HA3 -0.172 3.788 3.960 0.000 0.000 0.298 62 G C 0.301 175.318 174.900 0.195 0.000 1.037 62 G CA 0.584 45.822 45.100 0.229 0.000 1.074 62 G HN 0.699 nan 8.290 nan 0.000 0.511 63 V N -4.741 115.286 119.914 0.188 0.000 3.415 63 V HA 0.728 4.848 4.120 0.000 0.000 0.315 63 V C 1.770 177.870 176.094 0.011 0.000 1.516 63 V CA 0.882 63.229 62.300 0.078 0.000 1.122 63 V CB -0.277 31.565 31.823 0.032 0.000 0.988 63 V HN 1.257 nan 8.190 nan 0.000 0.474 64 A N 1.713 124.583 122.820 0.083 0.000 1.841 64 A HA -0.048 4.272 4.320 0.000 0.000 0.214 64 A C 2.144 179.744 177.584 0.027 0.000 1.195 64 A CA 2.142 54.218 52.037 0.066 0.000 0.611 64 A CB -0.494 18.566 19.000 0.100 0.000 0.835 64 A HN 0.505 nan 8.150 nan 0.000 0.443 65 K N -0.264 120.157 120.400 0.035 0.000 2.089 65 K HA -0.279 4.041 4.320 0.000 0.000 0.210 65 K C 2.338 178.940 176.600 0.003 0.000 1.048 65 K CA 2.138 58.439 56.287 0.023 0.000 0.926 65 K CB -0.301 32.214 32.500 0.025 0.000 0.714 65 K HN 0.682 nan 8.250 nan 0.000 0.448 66 Q N 0.505 120.300 119.800 -0.010 0.000 2.020 66 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 66 Q C 2.238 178.212 176.000 -0.043 0.000 0.982 66 Q CA 1.547 57.331 55.803 -0.033 0.000 0.838 66 Q CB -0.285 28.429 28.738 -0.040 0.000 0.899 66 Q HN 0.334 nan 8.270 nan 0.000 0.423 67 I N 0.729 121.261 120.570 -0.062 0.000 2.194 67 I HA -0.318 3.852 4.170 0.000 0.000 0.246 67 I C 2.470 178.589 176.117 0.004 0.000 1.093 67 I CA 1.357 62.621 61.300 -0.059 0.000 1.355 67 I CB -0.367 37.561 38.000 -0.120 0.000 1.046 67 I HN 0.209 nan 8.210 nan 0.000 0.413 68 R N 0.247 120.755 120.500 0.013 0.000 2.096 68 R HA -0.120 4.220 4.340 0.000 0.000 0.235 68 R C 1.708 178.042 176.300 0.056 0.000 1.127 68 R CA 1.897 58.025 56.100 0.045 0.000 0.968 68 R CB -0.548 29.777 30.300 0.042 0.000 0.861 68 R HN 0.474 nan 8.270 nan 0.000 0.440 69 T N -2.785 111.778 114.554 0.014 0.000 3.251 69 T HA 0.396 4.746 4.350 0.000 0.000 0.259 69 T C 1.164 175.818 174.700 -0.076 0.000 0.998 69 T CA 0.139 62.229 62.100 -0.016 0.000 0.905 69 T CB 0.971 69.822 68.868 -0.030 0.000 1.067 69 T HN 0.121 nan 8.240 nan 0.000 0.569 70 A N 0.715 123.502 122.820 -0.054 0.000 2.167 70 A HA 0.620 4.940 4.320 0.000 0.000 0.214 70 A C 1.976 179.267 177.584 -0.488 0.000 1.151 70 A CA 0.658 52.597 52.037 -0.162 0.000 0.735 70 A CB -0.614 18.402 19.000 0.028 0.000 0.802 70 A HN 1.182 nan 8.150 nan 0.000 0.467 71 G N -3.162 105.469 108.800 -0.282 0.000 2.672 71 G HA2 -0.151 3.809 3.960 0.000 0.000 0.197 71 G HA3 -0.151 3.809 3.960 0.000 0.000 0.197 71 G C -0.004 174.976 174.900 0.134 0.000 0.995 71 G CA -0.122 44.687 45.100 -0.485 0.000 0.754 71 G HN 0.525 nan 8.290 nan 0.000 0.505 72 W N 3.336 124.795 121.300 0.264 0.000 2.381 72 W HA 0.480 5.140 4.660 -0.000 0.000 0.321 72 W C -2.284 174.280 176.519 0.076 0.000 1.407 72 W CA -1.440 56.021 57.345 0.193 0.000 1.274 72 W CB 0.497 30.011 29.460 0.090 0.000 1.310 72 W HN 0.035 nan 8.180 nan 0.000 0.551 73 P HA -0.032 nan 4.420 nan 0.000 0.256 73 P C 1.000 178.102 177.300 -0.330 0.000 1.173 73 P CA 0.808 63.629 63.100 -0.465 0.000 0.768 73 P CB 0.405 31.806 31.700 -0.498 0.000 0.758 74 G N 3.484 112.236 108.800 -0.081 0.000 2.450 74 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 74 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 74 G C 0.849 175.773 174.900 0.040 0.000 1.130 74 G CA 0.771 45.895 45.100 0.040 0.000 0.760 74 G HN 0.556 nan 8.290 nan 0.000 0.557 75 D N -1.289 119.095 120.400 -0.025 0.000 2.339 75 D HA -0.009 4.631 4.640 0.000 0.000 0.217 75 D C 0.813 177.103 176.300 -0.017 0.000 1.050 75 D CA -0.432 53.560 54.000 -0.013 0.000 0.856 75 D CB -0.530 40.246 40.800 -0.041 0.000 0.922 75 D HN 0.265 nan 8.370 nan 0.000 0.518 76 H N 1.419 120.380 119.070 -0.181 0.000 2.764 76 H HA 0.235 4.791 4.556 0.000 0.000 0.341 76 H C -2.281 173.086 175.328 0.064 0.000 1.072 76 H CA -1.703 54.227 56.048 -0.196 0.000 1.444 76 H CB 0.818 30.173 29.762 -0.679 0.000 1.458 76 H HN -0.067 nan 8.280 nan 0.000 0.572 77 P HA -0.002 nan 4.420 nan 0.000 0.270 77 P C 0.256 177.807 177.300 0.418 0.000 1.227 77 P CA 0.202 63.445 63.100 0.238 0.000 0.788 77 P CB 0.756 32.496 31.700 0.066 0.000 0.926 78 L N -0.526 120.833 121.223 0.226 0.000 3.069 78 L HA 0.264 4.605 4.340 0.000 0.000 0.271 78 L C 0.033 176.934 176.870 0.051 0.000 1.201 78 L CA -0.206 54.730 54.840 0.161 0.000 1.015 78 L CB -0.074 42.058 42.059 0.122 0.000 1.371 78 L HN 0.232 nan 8.230 nan 0.000 0.574 79 D N 1.815 122.228 120.400 0.021 0.000 2.419 79 D HA 0.300 4.940 4.640 0.000 0.000 0.236 79 D C 0.340 176.541 176.300 -0.166 0.000 1.165 79 D CA 0.553 54.507 54.000 -0.077 0.000 0.882 79 D CB 1.010 41.769 40.800 -0.067 0.000 1.201 79 D HN 0.163 nan 8.370 nan 0.000 0.443 80 A N 0.856 123.524 122.820 -0.253 0.000 2.323 80 A HA 0.680 5.000 4.320 0.000 0.000 0.305 80 A C -0.635 176.830 177.584 -0.199 0.000 1.275 80 A CA -0.573 51.256 52.037 -0.346 0.000 0.804 80 A CB 0.796 19.293 19.000 -0.838 0.000 1.152 80 A HN 0.522 nan 8.150 nan 0.000 0.487 81 A N 2.435 125.117 122.820 -0.230 0.000 2.340 81 A HA 0.743 5.063 4.320 0.000 0.000 0.331 81 A C -0.841 176.830 177.584 0.144 0.000 1.140 81 A CA -0.497 51.575 52.037 0.058 0.000 0.801 81 A CB 0.865 19.904 19.000 0.065 0.000 1.234 81 A HN 0.838 nan 8.150 nan 0.000 0.469 82 W N 2.830 124.284 121.300 0.257 0.000 2.294 82 W HA 0.494 5.154 4.660 -0.000 0.000 0.314 82 W C -0.516 176.188 176.519 0.309 0.000 1.044 82 W CA -0.335 57.205 57.345 0.325 0.000 1.284 82 W CB 1.743 31.365 29.460 0.270 0.000 1.231 82 W HN 0.740 nan 8.180 nan 0.000 0.419 83 V N 0.337 120.514 119.914 0.438 0.000 3.001 83 V HA 0.497 4.617 4.120 0.000 0.000 0.314 83 V C 0.857 177.094 176.094 0.238 0.000 1.099 83 V CA -0.615 61.877 62.300 0.321 0.000 0.989 83 V CB 1.485 33.461 31.823 0.256 0.000 1.040 83 V HN 0.567 nan 8.190 nan 0.000 0.434 84 T N -0.829 113.842 114.554 0.195 0.000 2.951 84 T HA 0.150 4.500 4.350 0.000 0.000 0.268 84 T C 0.763 175.458 174.700 -0.009 0.000 1.073 84 T CA 1.169 63.358 62.100 0.149 0.000 1.134 84 T CB -0.141 68.842 68.868 0.193 0.000 0.884 84 T HN 0.868 nan 8.240 nan 0.000 0.479 85 R N -0.160 120.315 120.500 -0.042 0.000 2.633 85 R HA 0.447 4.787 4.340 0.000 0.000 0.256 85 R C -1.863 174.331 176.300 -0.176 0.000 1.131 85 R CA -0.568 55.453 56.100 -0.131 0.000 0.994 85 R CB 1.891 32.071 30.300 -0.201 0.000 1.261 85 R HN 0.060 nan 8.270 nan 0.000 0.446 86 V N 4.316 124.079 119.914 -0.251 0.000 2.452 86 V HA 0.223 4.343 4.120 0.000 0.000 0.286 86 V C 1.346 177.247 176.094 -0.321 0.000 0.995 86 V CA 2.004 64.024 62.300 -0.466 0.000 1.116 86 V CB 0.649 32.129 31.823 -0.571 0.000 0.954 86 V HN 1.101 nan 8.190 nan 0.000 0.473 87 G N 3.489 112.131 108.800 -0.263 0.000 2.159 87 G HA2 -0.105 3.855 3.960 0.000 0.000 0.227 87 G HA3 -0.105 3.855 3.960 0.000 0.000 0.227 87 G C 0.391 175.043 174.900 -0.413 0.000 0.986 87 G CA 0.050 44.954 45.100 -0.327 0.000 0.651 87 G HN 1.226 nan 8.290 nan 0.000 0.523 88 G N -1.188 107.455 108.800 -0.262 0.000 3.099 88 G HA2 0.559 4.519 3.960 0.000 0.000 0.151 88 G HA3 0.559 4.519 3.960 0.000 0.000 0.151 88 G C -0.456 174.361 174.900 -0.137 0.000 1.265 88 G CA -0.618 44.320 45.100 -0.270 0.000 0.981 88 G HN 0.429 nan 8.290 nan 0.000 0.601 89 H N 0.882 119.950 119.070 -0.002 0.000 3.015 89 H HA 0.257 4.813 4.556 -0.000 0.000 0.268 89 H C -0.042 175.353 175.328 0.112 0.000 1.113 89 H CA -0.046 56.036 56.048 0.058 0.000 1.479 89 H CB 0.841 30.646 29.762 0.073 0.000 1.493 89 H HN 0.425 nan 8.280 nan 0.000 0.486 90 E N 3.351 123.711 120.200 0.266 0.000 2.290 90 E HA 0.031 4.381 4.350 0.000 0.000 0.277 90 E C 0.025 176.781 176.600 0.261 0.000 1.035 90 E CA -0.314 56.246 56.400 0.268 0.000 0.873 90 E CB 0.820 30.668 29.700 0.247 0.000 1.029 90 E HN 0.437 nan 8.360 nan 0.000 0.419 91 V N 4.959 125.058 119.914 0.308 0.000 2.581 91 V HA 0.076 4.196 4.120 0.000 0.000 0.240 91 V C -0.314 175.983 176.094 0.338 0.000 1.054 91 V CA 0.492 62.961 62.300 0.281 0.000 1.076 91 V CB -0.027 31.969 31.823 0.289 0.000 0.748 91 V HN 0.701 nan 8.190 nan 0.000 0.474 92 Y N 0.368 120.814 120.300 0.243 0.000 2.581 92 Y HA 0.680 5.230 4.550 -0.000 0.000 0.337 92 Y C -0.776 175.324 175.900 0.334 0.000 1.108 92 Y CA -1.940 56.265 58.100 0.175 0.000 1.033 92 Y CB 1.389 39.828 38.460 -0.034 0.000 1.318 92 Y HN 0.097 nan 8.280 nan 0.000 0.459 93 R N 6.058 126.357 120.500 -0.335 0.000 2.584 93 R HA 0.636 4.976 4.340 0.000 0.000 0.276 93 R C -2.077 173.962 176.300 -0.436 0.000 1.046 93 R CA -0.623 55.339 56.100 -0.231 0.000 0.906 93 R CB 1.338 31.631 30.300 -0.012 0.000 1.215 93 R HN 0.782 nan 8.270 nan 0.000 0.449 94 I N 6.303 126.725 120.570 -0.246 0.000 2.337 94 I HA 0.322 4.492 4.170 0.000 0.000 0.285 94 I C -1.998 174.069 176.117 -0.083 0.000 1.041 94 I CA -2.244 58.959 61.300 -0.163 0.000 1.199 94 I CB 1.681 39.649 38.000 -0.053 0.000 1.370 94 I HN 0.342 nan 8.210 nan 0.000 0.470 95 P HA 0.162 nan 4.420 nan 0.000 0.276 95 P C -0.217 177.089 177.300 0.010 0.000 1.235 95 P CA -0.063 63.031 63.100 -0.011 0.000 0.772 95 P CB 1.387 33.093 31.700 0.010 0.000 0.871 96 L N 2.331 123.564 121.223 0.016 0.000 3.366 96 L HA 0.316 4.656 4.340 0.000 0.000 0.304 96 L C 1.344 178.254 176.870 0.066 0.000 1.292 96 L CA -0.383 54.482 54.840 0.042 0.000 1.012 96 L CB 0.051 42.126 42.059 0.026 0.000 1.414 96 L HN 0.607 nan 8.230 nan 0.000 0.603 97 G N 1.527 110.365 108.800 0.064 0.000 2.581 97 G HA2 -0.300 3.660 3.960 0.000 0.000 0.289 97 G HA3 -0.300 3.660 3.960 0.000 0.000 0.289 97 G C 0.056 175.020 174.900 0.107 0.000 1.303 97 G CA 0.274 45.419 45.100 0.075 0.000 0.931 97 G HN 0.424 nan 8.290 nan 0.000 0.555 98 T N -3.842 110.781 114.554 0.114 0.000 2.916 98 T HA 0.836 5.186 4.350 0.000 0.000 0.292 98 T C 1.507 176.303 174.700 0.160 0.000 1.064 98 T CA 0.576 62.774 62.100 0.163 0.000 1.011 98 T CB 1.578 70.526 68.868 0.133 0.000 1.152 98 T HN 2.239 nan 8.240 nan 0.000 0.510 99 A N 1.337 124.290 122.820 0.221 0.000 1.870 99 A HA -0.155 4.165 4.320 0.000 0.000 0.219 99 A C 1.784 179.442 177.584 0.123 0.000 1.224 99 A CA 2.273 54.421 52.037 0.185 0.000 0.650 99 A CB -1.382 17.776 19.000 0.263 0.000 0.836 99 A HN 0.907 nan 8.150 nan 0.000 0.454 100 D N -1.675 118.790 120.400 0.108 0.000 2.392 100 D HA -0.002 4.639 4.640 0.000 0.000 0.228 100 D C 1.396 177.733 176.300 0.061 0.000 1.003 100 D CA 1.369 55.412 54.000 0.072 0.000 0.917 100 D CB -0.049 40.782 40.800 0.052 0.000 0.890 100 D HN 0.454 nan 8.370 nan 0.000 0.532 101 T N -0.594 114.003 114.554 0.071 0.000 2.987 101 T HA 0.037 4.387 4.350 0.000 0.000 0.248 101 T C 0.656 175.394 174.700 0.064 0.000 0.997 101 T CA -0.423 61.713 62.100 0.060 0.000 1.013 101 T CB 0.764 69.666 68.868 0.056 0.000 1.077 101 T HN 0.203 nan 8.240 nan 0.000 0.483 102 R N 1.546 122.092 120.500 0.076 0.000 2.679 102 R HA 0.584 4.924 4.340 0.000 0.000 0.268 102 R C 0.123 176.468 176.300 0.076 0.000 1.044 102 R CA -0.187 55.960 56.100 0.078 0.000 1.105 102 R CB 0.258 30.611 30.300 0.088 0.000 0.989 102 R HN 0.117 nan 8.270 nan 0.000 0.447 103 A N 2.915 125.782 122.820 0.078 0.000 2.546 103 A HA 0.094 4.414 4.320 0.000 0.000 0.243 103 A C 0.698 178.338 177.584 0.093 0.000 1.063 103 A CA 0.228 52.313 52.037 0.081 0.000 0.757 103 A CB -0.187 18.863 19.000 0.084 0.000 0.991 103 A HN 0.864 nan 8.150 nan 0.000 0.503 104 T N 2.403 117.011 114.554 0.090 0.000 2.908 104 T HA 0.336 4.686 4.350 0.000 0.000 0.325 104 T C -1.179 173.595 174.700 0.123 0.000 1.092 104 T CA -0.512 61.648 62.100 0.100 0.000 1.125 104 T CB -0.129 68.799 68.868 0.101 0.000 1.016 104 T HN 0.651 nan 8.240 nan 0.000 0.550 105 P HA 0.246 nan 4.420 nan 0.000 0.296 105 P C 0.359 177.753 177.300 0.157 0.000 1.295 105 P CA -0.050 63.111 63.100 0.101 0.000 0.754 105 P CB 0.657 32.340 31.700 -0.027 0.000 1.311 106 E N -1.988 118.314 120.200 0.170 0.000 2.820 106 E HA -0.049 4.301 4.350 0.000 0.000 0.210 106 E C 1.306 178.071 176.600 0.274 0.000 1.005 106 E CA 0.273 56.835 56.400 0.270 0.000 1.678 106 E CB -0.297 29.571 29.700 0.281 0.000 2.013 106 E HN 0.597 nan 8.360 nan 0.000 1.011 107 H N 0.168 119.288 119.070 0.084 0.000 2.524 107 H HA 0.308 4.864 4.556 0.000 0.000 0.280 107 H C -0.007 175.226 175.328 -0.160 0.000 1.018 107 H CA 0.675 56.724 56.048 0.001 0.000 1.165 107 H CB -0.019 29.754 29.762 0.017 0.000 1.411 107 H HN -0.009 nan 8.280 nan 0.000 0.569 108 T N 0.780 115.096 114.554 -0.396 0.000 2.977 108 T HA 0.196 4.546 4.350 0.000 0.000 0.345 108 T C -2.671 171.668 174.700 -0.601 0.000 1.562 108 T CA -1.078 60.672 62.100 -0.584 0.000 1.090 108 T CB 2.444 71.028 68.868 -0.474 0.000 1.383 108 T HN -0.045 nan 8.240 nan 0.000 0.484 109 P HA 0.296 nan 4.420 nan 0.000 0.261 109 P C -0.299 176.936 177.300 -0.108 0.000 1.268 109 P CA 0.211 63.062 63.100 -0.415 0.000 0.833 109 P CB 0.455 31.789 31.700 -0.610 0.000 1.231 110 E N 1.882 122.011 120.200 -0.118 0.000 2.437 110 E HA 0.299 4.649 4.350 0.000 0.000 0.238 110 E C -2.507 174.089 176.600 -0.007 0.000 0.969 110 E CA -2.227 54.155 56.400 -0.030 0.000 0.759 110 E CB 1.733 31.416 29.700 -0.028 0.000 1.283 110 E HN 0.301 nan 8.360 nan 0.000 0.416 111 P HA -0.024 nan 4.420 nan 0.000 0.272 111 P C -0.004 177.293 177.300 -0.006 0.000 1.223 111 P CA -0.299 62.811 63.100 0.017 0.000 0.784 111 P CB 0.876 32.600 31.700 0.040 0.000 0.923 112 D N 0.842 121.222 120.400 -0.033 0.000 2.478 112 D HA 0.102 4.742 4.640 0.000 0.000 0.234 112 D C -0.403 175.870 176.300 -0.045 0.000 1.154 112 D CA 0.020 53.978 54.000 -0.070 0.000 0.874 112 D CB 0.444 41.192 40.800 -0.086 0.000 1.198 112 D HN 0.399 nan 8.370 nan 0.000 0.455 113 A N 2.332 125.120 122.820 -0.053 0.000 2.350 113 A HA 0.648 4.968 4.320 0.000 0.000 0.318 113 A C -0.217 177.276 177.584 -0.152 0.000 1.132 113 A CA -0.958 51.036 52.037 -0.071 0.000 0.811 113 A CB 1.199 20.186 19.000 -0.021 0.000 1.313 113 A HN 0.618 nan 8.150 nan 0.000 0.454 114 I N 0.331 120.742 120.570 -0.264 0.000 2.378 114 I HA 0.445 4.615 4.170 0.000 0.000 0.291 114 I C -0.798 175.183 176.117 -0.225 0.000 0.992 114 I CA -0.177 60.860 61.300 -0.438 0.000 1.154 114 I CB 1.632 38.971 38.000 -1.102 0.000 1.315 114 I HN 0.586 nan 8.210 nan 0.000 0.448 115 C N 9.311 128.503 119.300 -0.181 0.000 3.309 115 C HA 0.336 4.796 4.460 0.000 0.000 0.335 115 C C -2.546 172.327 174.990 -0.195 0.000 1.018 115 C CA -1.497 57.481 59.018 -0.066 0.000 1.326 115 C CB 0.451 28.190 27.740 -0.002 0.000 1.752 115 C HN 0.518 nan 8.230 nan 0.000 0.567 116 P HA -0.084 nan 4.420 nan 0.000 0.264 116 P C 0.708 177.780 177.300 -0.380 0.000 1.173 116 P CA 0.963 63.781 63.100 -0.469 0.000 0.761 116 P CB 0.682 31.930 31.700 -0.754 0.000 0.794 117 Q N 2.247 121.927 119.800 -0.201 0.000 2.173 117 Q HA -0.256 4.084 4.340 0.000 0.000 0.208 117 Q C 2.078 178.040 176.000 -0.063 0.000 0.989 117 Q CA 1.790 57.535 55.803 -0.096 0.000 0.872 117 Q CB -0.298 28.416 28.738 -0.041 0.000 0.909 117 Q HN 0.631 nan 8.270 nan 0.000 0.420 118 H N -2.489 116.493 119.070 -0.147 0.000 2.491 118 H HA -0.133 4.423 4.556 0.000 0.000 0.290 118 H C 0.901 176.300 175.328 0.119 0.000 1.050 118 H CA 1.015 57.032 56.048 -0.051 0.000 1.309 118 H CB -0.426 29.282 29.762 -0.090 0.000 1.392 118 H HN 0.415 nan 8.280 nan 0.000 0.554 119 W N 0.704 121.725 121.300 -0.465 0.000 2.704 119 W HA 0.137 4.798 4.660 0.001 0.000 0.266 119 W C 2.263 178.677 176.519 -0.175 0.000 1.266 119 W CA -0.369 56.798 57.345 -0.296 0.000 1.377 119 W CB -0.823 28.440 29.460 -0.328 0.000 1.082 119 W HN 0.207 nan 8.180 nan 0.000 0.608 120 L N 1.590 122.835 121.223 0.037 0.000 1.988 120 L HA 0.007 4.347 4.340 0.000 0.000 0.207 120 L C 2.496 179.361 176.870 -0.009 0.000 1.071 120 L CA 2.783 57.615 54.840 -0.014 0.000 0.744 120 L CB -1.333 40.700 42.059 -0.044 0.000 0.893 120 L HN -0.112 nan 8.230 nan 0.000 0.433 121 A N 0.265 123.092 122.820 0.012 0.000 1.881 121 A HA -0.235 4.085 4.320 0.000 0.000 0.219 121 A C 0.199 177.797 177.584 0.023 0.000 1.215 121 A CA 2.634 54.686 52.037 0.024 0.000 0.648 121 A CB -2.349 16.675 19.000 0.040 0.000 0.832 121 A HN 0.478 nan 8.150 nan 0.000 0.455 122 P HA -0.149 nan 4.420 nan 0.000 0.214 122 P C 1.562 178.865 177.300 0.005 0.000 1.163 122 P CA 0.945 64.062 63.100 0.028 0.000 0.889 122 P CB -0.130 31.595 31.700 0.042 0.000 0.790 123 L N -1.264 119.953 121.223 -0.009 0.000 1.997 123 L HA -0.216 4.124 4.340 0.000 0.000 0.216 123 L C 2.442 179.291 176.870 -0.035 0.000 1.074 123 L CA 1.904 56.723 54.840 -0.035 0.000 0.763 123 L CB -1.462 40.556 42.059 -0.068 0.000 0.890 123 L HN -0.085 nan 8.230 nan 0.000 0.434 124 L N -1.727 119.474 121.223 -0.037 0.000 2.027 124 L HA -0.192 4.148 4.340 0.000 0.000 0.206 124 L C 2.657 179.533 176.870 0.009 0.000 1.074 124 L CA 1.174 56.005 54.840 -0.014 0.000 0.745 124 L CB -0.980 41.081 42.059 0.003 0.000 0.898 124 L HN 0.295 nan 8.230 nan 0.000 0.433 125 A N -0.065 122.761 122.820 0.010 0.000 1.927 125 A HA -0.318 4.002 4.320 0.000 0.000 0.220 125 A C 2.260 179.851 177.584 0.013 0.000 1.185 125 A CA 2.297 54.342 52.037 0.014 0.000 0.639 125 A CB -0.627 18.381 19.000 0.014 0.000 0.820 125 A HN 0.521 nan 8.150 nan 0.000 0.451 126 E N -0.487 119.718 120.200 0.008 0.000 2.017 126 E HA -0.102 4.248 4.350 0.000 0.000 0.193 126 E C 2.270 178.881 176.600 0.018 0.000 0.997 126 E CA 1.075 57.480 56.400 0.009 0.000 0.804 126 E CB -0.322 29.379 29.700 0.002 0.000 0.757 126 E HN 0.524 nan 8.360 nan 0.000 0.448 127 A N 0.516 123.351 122.820 0.025 0.000 1.927 127 A HA -0.208 4.112 4.320 0.000 0.000 0.220 127 A C 2.391 180.003 177.584 0.046 0.000 1.185 127 A CA 1.826 53.891 52.037 0.048 0.000 0.639 127 A CB -0.812 18.230 19.000 0.069 0.000 0.820 127 A HN 0.267 nan 8.150 nan 0.000 0.451 128 V N -0.987 118.950 119.914 0.038 0.000 2.667 128 V HA 0.144 4.264 4.120 0.000 0.000 0.252 128 V C 1.926 178.041 176.094 0.035 0.000 1.065 128 V CA 1.006 63.335 62.300 0.049 0.000 1.083 128 V CB -1.850 30.002 31.823 0.047 0.000 0.692 128 V HN 1.155 nan 8.190 nan 0.000 0.468 129 G N 0.505 109.316 108.800 0.019 0.000 2.574 129 G HA2 -0.409 3.551 3.960 0.000 0.000 0.282 129 G HA3 -0.409 3.551 3.960 0.000 0.000 0.282 129 G C 0.995 175.890 174.900 -0.008 0.000 1.257 129 G CA 0.504 45.607 45.100 0.005 0.000 0.956 129 G HN 0.322 nan 8.290 nan 0.000 0.560 130 E N 0.438 120.627 120.200 -0.019 0.000 2.171 130 E HA -0.200 4.150 4.350 0.000 0.000 0.197 130 E C 2.562 179.133 176.600 -0.049 0.000 0.997 130 E CA 1.907 58.288 56.400 -0.031 0.000 0.810 130 E CB -0.199 29.480 29.700 -0.035 0.000 0.738 130 E HN 0.451 nan 8.360 nan 0.000 0.467 131 R N 0.010 120.466 120.500 -0.074 0.000 2.355 131 R HA -0.026 4.314 4.340 0.000 0.000 0.219 131 R C 0.551 176.813 176.300 -0.064 0.000 1.107 131 R CA 0.156 56.180 56.100 -0.126 0.000 1.021 131 R CB -0.468 29.667 30.300 -0.275 0.000 0.852 131 R HN 0.069 nan 8.270 nan 0.000 0.475 132 L N 1.199 122.408 121.223 -0.025 0.000 2.264 132 L HA 0.311 4.651 4.340 0.000 0.000 0.289 132 L C -0.772 176.093 176.870 -0.009 0.000 1.044 132 L CA -0.337 54.500 54.840 -0.005 0.000 0.807 132 L CB 0.955 43.020 42.059 0.008 0.000 1.192 132 L HN -0.116 nan 8.230 nan 0.000 0.425 133 R N 3.822 124.318 120.500 -0.007 0.000 2.278 133 R HA 0.361 4.701 4.340 0.000 0.000 0.322 133 R C -0.316 175.984 176.300 0.000 0.000 1.058 133 R CA -0.372 55.724 56.100 -0.006 0.000 0.991 133 R CB 0.291 30.586 30.300 -0.009 0.000 1.140 133 R HN 0.787 nan 8.270 nan 0.000 0.518 134 T N -0.877 113.678 114.554 0.002 0.000 2.882 134 T HA 0.307 4.658 4.350 0.000 0.000 0.287 134 T C 0.658 175.361 174.700 0.005 0.000 1.014 134 T CA -0.774 61.329 62.100 0.005 0.000 1.049 134 T CB 1.288 70.160 68.868 0.007 0.000 1.001 134 T HN 0.596 nan 8.240 nan 0.000 0.525 135 R N -0.084 120.420 120.500 0.007 0.000 3.422 135 R HA -0.129 4.211 4.340 0.000 0.000 0.267 135 R C -0.877 175.427 176.300 0.007 0.000 1.074 135 R CA 0.432 56.536 56.100 0.007 0.000 0.718 135 R CB -2.058 28.246 30.300 0.006 0.000 1.157 135 R HN 0.764 nan 8.270 nan 0.000 0.440 136 S N 0.184 115.888 115.700 0.007 0.000 2.707 136 S HA 0.410 4.880 4.470 0.000 0.000 0.303 136 S C -0.351 174.256 174.600 0.012 0.000 1.132 136 S CA -0.856 57.349 58.200 0.008 0.000 1.046 136 S CB 2.386 65.590 63.200 0.006 0.000 1.004 136 S HN 0.319 nan 8.310 nan 0.000 0.483 137 R N 2.755 123.264 120.500 0.015 0.000 2.445 137 R HA 0.518 4.858 4.340 0.000 0.000 0.308 137 R C -1.258 175.059 176.300 0.029 0.000 0.961 137 R CA -0.831 55.281 56.100 0.020 0.000 0.862 137 R CB 0.705 31.017 30.300 0.020 0.000 1.144 137 R HN 0.521 nan 8.270 nan 0.000 0.447 138 L N 4.618 125.861 121.223 0.033 0.000 2.313 138 L HA 0.166 4.506 4.340 0.000 0.000 0.282 138 L C 0.311 177.223 176.870 0.069 0.000 1.092 138 L CA 0.554 55.426 54.840 0.053 0.000 0.831 138 L CB 1.155 43.242 42.059 0.046 0.000 1.159 138 L HN 0.758 nan 8.230 nan 0.000 0.442 139 D N 1.410 121.856 120.400 0.076 0.000 2.323 139 D HA 0.094 4.734 4.640 0.000 0.000 0.218 139 D C 0.176 176.532 176.300 0.094 0.000 0.973 139 D CA 0.908 54.950 54.000 0.070 0.000 0.890 139 D CB 0.552 41.381 40.800 0.047 0.000 1.011 139 D HN 0.583 nan 8.370 nan 0.000 0.499 140 S N -0.424 115.354 115.700 0.129 0.000 2.611 140 S HA 0.600 5.070 4.470 0.000 0.000 0.268 140 S C -1.375 173.370 174.600 0.241 0.000 1.156 140 S CA -1.054 57.228 58.200 0.136 0.000 0.817 140 S CB 1.626 64.833 63.200 0.012 0.000 1.122 140 S HN 0.120 nan 8.310 nan 0.000 0.466 141 F N -1.145 118.808 119.950 0.005 0.000 2.668 141 F HA 0.907 5.433 4.527 -0.000 0.000 0.309 141 F C -1.386 174.403 175.800 -0.018 0.000 1.117 141 F CA -0.737 57.264 58.000 0.002 0.000 0.951 141 F CB 1.296 40.300 39.000 0.006 0.000 1.323 141 F HN 0.967 nan 8.300 nan 0.000 0.451 142 E N 0.975 121.158 120.200 -0.028 0.000 2.311 142 E HA 0.326 4.676 4.350 0.000 0.000 0.281 142 E C -1.947 174.619 176.600 -0.057 0.000 0.905 142 E CA -0.989 55.327 56.400 -0.140 0.000 0.778 142 E CB 2.024 31.637 29.700 -0.143 0.000 1.240 142 E HN 0.762 nan 8.360 nan 0.000 0.410 143 Q N 2.720 122.490 119.800 -0.050 0.000 2.327 143 Q HA 0.314 4.654 4.340 0.000 0.000 0.254 143 Q C -0.195 175.688 176.000 -0.196 0.000 0.952 143 Q CA -0.489 55.261 55.803 -0.088 0.000 0.884 143 Q CB 0.960 29.679 28.738 -0.031 0.000 1.224 143 Q HN 0.364 nan 8.270 nan 0.000 0.422 144 R N 1.500 121.792 120.500 -0.347 0.000 2.893 144 R HA 0.162 4.502 4.340 0.000 0.000 0.245 144 R C 0.319 176.473 176.300 -0.243 0.000 1.192 144 R CA -0.793 55.075 56.100 -0.388 0.000 1.077 144 R CB 0.222 30.017 30.300 -0.841 0.000 1.253 144 R HN 0.587 nan 8.270 nan 0.000 0.505 145 D N 0.731 121.043 120.400 -0.146 0.000 2.190 145 D HA -0.171 4.469 4.640 0.000 0.000 0.200 145 D C 0.495 176.763 176.300 -0.053 0.000 0.992 145 D CA 1.812 55.770 54.000 -0.071 0.000 0.854 145 D CB 0.177 40.959 40.800 -0.031 0.000 0.936 145 D HN 0.552 nan 8.370 nan 0.000 0.462 146 D N -1.395 118.986 120.400 -0.030 0.000 2.740 146 D HA -0.021 4.619 4.640 0.000 0.000 0.305 146 D C -0.142 176.180 176.300 0.037 0.000 1.583 146 D CA -0.382 53.617 54.000 -0.001 0.000 0.790 146 D CB -0.442 40.378 40.800 0.032 0.000 1.187 146 D HN 0.403 nan 8.370 nan 0.000 0.447 147 H N -2.481 116.505 119.070 -0.141 0.000 2.951 147 H HA 0.433 4.989 4.556 0.000 0.000 0.292 147 H C -2.091 173.175 175.328 -0.103 0.000 1.412 147 H CA -0.678 55.278 56.048 -0.154 0.000 1.206 147 H CB 0.669 30.349 29.762 -0.138 0.000 1.862 147 H HN -0.170 nan 8.280 nan 0.000 0.502 148 V N 1.799 121.684 119.914 -0.049 0.000 2.581 148 V HA 0.540 4.660 4.120 0.000 0.000 0.303 148 V C 0.211 176.349 176.094 0.073 0.000 1.041 148 V CA -0.816 61.465 62.300 -0.032 0.000 0.907 148 V CB 1.693 33.553 31.823 0.062 0.000 0.994 148 V HN 0.606 nan 8.190 nan 0.000 0.442 149 R N 2.406 122.937 120.500 0.052 0.000 2.494 149 R HA 0.835 5.175 4.340 0.000 0.000 0.305 149 R C -0.684 175.726 176.300 0.183 0.000 0.959 149 R CA -0.408 55.774 56.100 0.136 0.000 0.864 149 R CB 2.132 32.452 30.300 0.033 0.000 1.159 149 R HN 0.837 nan 8.270 nan 0.000 0.446 150 A N 1.535 124.481 122.820 0.209 0.000 2.469 150 A HA 0.681 5.001 4.320 0.000 0.000 0.299 150 A C -0.790 176.879 177.584 0.141 0.000 1.098 150 A CA -0.693 51.457 52.037 0.189 0.000 0.737 150 A CB 1.983 21.085 19.000 0.169 0.000 1.312 150 A HN 0.551 nan 8.150 nan 0.000 0.414 151 T N 1.420 116.044 114.554 0.116 0.000 2.770 151 T HA 0.593 4.943 4.350 0.000 0.000 0.283 151 T C -0.688 174.050 174.700 0.064 0.000 0.988 151 T CA 0.056 62.203 62.100 0.078 0.000 0.957 151 T CB 0.459 69.365 68.868 0.063 0.000 0.930 151 T HN 0.361 nan 8.240 nan 0.000 0.443 152 I N 2.463 123.060 120.570 0.045 0.000 2.433 152 I HA 0.350 4.521 4.170 0.000 0.000 0.292 152 I C 0.449 176.579 176.117 0.022 0.000 1.001 152 I CA -0.288 61.032 61.300 0.033 0.000 1.119 152 I CB 2.122 40.138 38.000 0.026 0.000 1.289 152 I HN 0.525 nan 8.210 nan 0.000 0.438 153 T N 4.142 118.709 114.554 0.021 0.000 2.767 153 T HA 0.141 4.491 4.350 0.000 0.000 0.288 153 T C -0.066 174.641 174.700 0.011 0.000 0.963 153 T CA -0.281 61.828 62.100 0.015 0.000 1.019 153 T CB 0.604 69.482 68.868 0.016 0.000 0.923 153 T HN 0.440 nan 8.240 nan 0.000 0.468 154 D N 3.975 124.379 120.400 0.007 0.000 2.713 154 D HA 0.106 4.746 4.640 0.000 0.000 0.229 154 D C 1.595 177.898 176.300 0.005 0.000 1.136 154 D CA -0.216 53.787 54.000 0.004 0.000 1.010 154 D CB -0.148 40.653 40.800 0.001 0.000 1.084 154 D HN 0.533 nan 8.370 nan 0.000 0.495 155 L N 0.821 122.048 121.223 0.007 0.000 2.326 155 L HA -0.263 4.077 4.340 0.000 0.000 0.218 155 L C 2.451 179.324 176.870 0.006 0.000 1.098 155 L CA 1.215 56.059 54.840 0.007 0.000 0.778 155 L CB -0.429 41.635 42.059 0.008 0.000 0.893 155 L HN 0.250 nan 8.230 nan 0.000 0.440 156 R N -0.137 120.366 120.500 0.004 0.000 2.156 156 R HA -0.069 4.271 4.340 0.000 0.000 0.207 156 R C 2.084 178.385 176.300 0.002 0.000 1.040 156 R CA 1.483 57.585 56.100 0.003 0.000 1.013 156 R CB 0.149 30.451 30.300 0.003 0.000 0.931 156 R HN 0.440 nan 8.270 nan 0.000 0.465 157 T N -4.728 109.827 114.554 0.001 0.000 3.003 157 T HA 0.279 4.629 4.350 0.000 0.000 0.261 157 T C 1.207 175.907 174.700 0.001 0.000 1.003 157 T CA 0.463 62.563 62.100 0.000 0.000 0.917 157 T CB 1.117 69.984 68.868 -0.002 0.000 1.084 157 T HN 0.347 nan 8.240 nan 0.000 0.522 158 G N 1.667 110.468 108.800 0.002 0.000 2.234 158 G HA2 -0.114 3.846 3.960 0.000 0.000 0.260 158 G HA3 -0.114 3.846 3.960 0.000 0.000 0.260 158 G C 0.435 175.337 174.900 0.003 0.000 0.987 158 G CA -0.024 45.077 45.100 0.003 0.000 0.625 158 G HN 1.306 nan 8.290 nan 0.000 0.532 159 A N 0.511 123.332 122.820 0.001 0.000 2.407 159 A HA 0.689 5.009 4.320 0.000 0.000 0.248 159 A C 0.779 178.364 177.584 0.001 0.000 1.082 159 A CA 1.251 53.288 52.037 -0.000 0.000 0.785 159 A CB 0.363 19.361 19.000 -0.003 0.000 1.020 159 A HN 1.798 nan 8.150 nan 0.000 0.489 160 T N -0.956 113.599 114.554 0.002 0.000 2.791 160 T HA 0.737 5.087 4.350 0.000 0.000 0.288 160 T C -0.099 174.603 174.700 0.002 0.000 0.999 160 T CA -0.015 62.088 62.100 0.006 0.000 0.952 160 T CB 1.000 69.874 68.868 0.011 0.000 0.938 160 T HN 1.289 nan 8.240 nan 0.000 0.444 161 R N 1.754 122.254 120.500 -0.000 0.000 2.787 161 R HA 0.981 5.321 4.340 0.000 0.000 0.271 161 R C 0.091 176.389 176.300 -0.004 0.000 0.993 161 R CA -0.665 55.428 56.100 -0.011 0.000 0.993 161 R CB 0.678 30.965 30.300 -0.022 0.000 1.155 161 R HN 1.317 nan 8.270 nan 0.000 0.486 162 A N 0.487 123.292 122.820 -0.026 0.000 2.312 162 A HA 0.703 5.023 4.320 0.000 0.000 0.328 162 A C -0.708 176.845 177.584 -0.052 0.000 1.158 162 A CA -0.537 51.494 52.037 -0.009 0.000 0.821 162 A CB 1.391 20.386 19.000 -0.008 0.000 1.170 162 A HN 0.825 nan 8.150 nan 0.000 0.490 163 V N 2.798 122.742 119.914 0.050 0.000 2.444 163 V HA 0.296 4.416 4.120 0.000 0.000 0.294 163 V C -0.609 175.628 176.094 0.239 0.000 1.022 163 V CA -0.357 61.980 62.300 0.061 0.000 0.850 163 V CB 1.268 33.131 31.823 0.066 0.000 0.992 163 V HN 0.956 nan 8.190 nan 0.000 0.426 164 H N 3.684 122.778 119.070 0.040 0.000 2.683 164 H HA 0.669 5.225 4.556 0.000 0.000 0.270 164 H C 0.164 175.516 175.328 0.041 0.000 1.201 164 H CA -0.348 55.737 56.048 0.061 0.000 1.277 164 H CB 1.344 31.105 29.762 -0.002 0.000 1.400 164 H HN 0.783 nan 8.280 nan 0.000 0.504 165 A N 2.326 125.252 122.820 0.176 0.000 2.294 165 A HA 0.334 4.654 4.320 0.000 0.000 0.330 165 A C 1.057 178.680 177.584 0.064 0.000 1.133 165 A CA -0.823 51.276 52.037 0.103 0.000 0.836 165 A CB 1.152 20.210 19.000 0.096 0.000 1.190 165 A HN 0.786 nan 8.150 nan 0.000 0.492 166 R N -0.845 119.655 120.500 -0.000 0.000 2.200 166 R HA 0.079 4.420 4.340 0.000 0.000 0.208 166 R C -0.851 175.155 176.300 -0.490 0.000 1.033 166 R CA 1.065 57.047 56.100 -0.198 0.000 1.000 166 R CB -0.014 30.173 30.300 -0.189 0.000 0.906 166 R HN 0.688 nan 8.270 nan 0.000 0.462 167 Y N -0.792 119.548 120.300 0.066 0.000 2.534 167 Y HA 0.388 4.938 4.550 -0.000 0.000 0.345 167 Y C -0.786 175.147 175.900 0.055 0.000 1.031 167 Y CA -0.913 57.233 58.100 0.077 0.000 1.022 167 Y CB 1.892 40.373 38.460 0.036 0.000 1.292 167 Y HN -0.188 nan 8.280 nan 0.000 0.459 168 L N 3.679 125.042 121.223 0.233 0.000 2.345 168 L HA 0.634 4.974 4.340 0.000 0.000 0.274 168 L C -1.558 175.365 176.870 0.088 0.000 0.999 168 L CA -0.874 54.017 54.840 0.085 0.000 0.849 168 L CB 0.752 42.792 42.059 -0.033 0.000 1.220 168 L HN 0.484 nan 8.230 nan 0.000 0.422 169 V N 4.551 124.485 119.914 0.034 0.000 2.348 169 V HA 0.393 4.513 4.120 0.000 0.000 0.270 169 V C 0.680 176.746 176.094 -0.047 0.000 1.037 169 V CA -0.466 61.833 62.300 -0.001 0.000 0.872 169 V CB 1.209 32.977 31.823 -0.090 0.000 1.002 169 V HN 0.820 nan 8.190 nan 0.000 0.464 170 A N 4.293 127.078 122.820 -0.058 0.000 2.279 170 A HA 0.416 4.736 4.320 0.000 0.000 0.306 170 A C 0.353 177.890 177.584 -0.079 0.000 1.300 170 A CA -0.261 51.718 52.037 -0.097 0.000 0.925 170 A CB -0.019 18.899 19.000 -0.137 0.000 1.152 170 A HN 0.916 nan 8.150 nan 0.000 0.544 171 C N 2.684 121.942 119.300 -0.070 0.000 2.624 171 C HA 0.189 4.649 4.460 0.000 0.000 0.263 171 C C 0.938 175.897 174.990 -0.052 0.000 1.587 171 C CA -0.512 58.468 59.018 -0.065 0.000 1.718 171 C CB -1.258 26.451 27.740 -0.052 0.000 3.050 171 C HN 0.898 nan 8.230 nan 0.000 0.517 172 D N 0.459 120.825 120.400 -0.055 0.000 2.358 172 D HA 0.301 4.941 4.640 0.000 0.000 0.241 172 D C 1.142 177.423 176.300 -0.031 0.000 1.094 172 D CA 0.976 54.953 54.000 -0.038 0.000 0.907 172 D CB -0.143 40.635 40.800 -0.037 0.000 0.893 172 D HN 0.629 nan 8.370 nan 0.000 0.528 173 G N -0.387 108.389 108.800 -0.040 0.000 2.660 173 G HA2 -0.007 3.953 3.960 0.000 0.000 0.247 173 G HA3 -0.007 3.953 3.960 0.000 0.000 0.247 173 G C 0.825 175.707 174.900 -0.030 0.000 1.328 173 G CA 0.408 45.490 45.100 -0.031 0.000 0.884 173 G HN 0.632 nan 8.290 nan 0.000 0.531 174 A N -0.487 122.326 122.820 -0.012 0.000 1.902 174 A HA 0.177 4.498 4.320 0.000 0.000 0.217 174 A C 2.784 180.373 177.584 0.009 0.000 1.181 174 A CA 3.354 55.393 52.037 0.003 0.000 0.623 174 A CB -0.910 18.108 19.000 0.030 0.000 0.818 174 A HN 2.415 nan 8.150 nan 0.000 0.443 175 S N -0.123 115.582 115.700 0.009 0.000 2.603 175 S HA 0.013 4.483 4.470 0.000 0.000 0.229 175 S C 0.934 175.539 174.600 0.009 0.000 0.972 175 S CA 0.788 58.995 58.200 0.013 0.000 0.935 175 S CB -1.044 62.161 63.200 0.008 0.000 0.769 175 S HN 0.945 nan 8.310 nan 0.000 0.536 176 S N 3.334 119.031 115.700 -0.004 0.000 4.268 176 S HA -0.063 4.407 4.470 0.000 0.000 0.291 176 S C -1.337 173.268 174.600 0.008 0.000 0.440 176 S CA -0.084 58.109 58.200 -0.011 0.000 1.363 176 S CB -0.200 62.980 63.200 -0.032 0.000 1.853 176 S HN 0.368 nan 8.310 nan 0.000 0.331 177 P HA -0.048 nan 4.420 nan 0.000 0.217 177 P C 1.688 179.032 177.300 0.073 0.000 1.150 177 P CA 1.189 64.317 63.100 0.045 0.000 0.832 177 P CB -0.054 31.676 31.700 0.050 0.000 0.787 178 T N -0.555 114.030 114.554 0.052 0.000 2.665 178 T HA -0.224 4.126 4.350 0.000 0.000 0.268 178 T C 1.865 176.612 174.700 0.078 0.000 1.035 178 T CA 1.408 63.545 62.100 0.062 0.000 1.151 178 T CB -0.554 68.244 68.868 -0.117 0.000 0.862 178 T HN 0.132 nan 8.240 nan 0.000 0.438 179 R N 1.082 121.597 120.500 0.025 0.000 2.083 179 R HA -0.136 4.204 4.340 0.000 0.000 0.237 179 R C 2.366 178.694 176.300 0.046 0.000 1.137 179 R CA 1.676 57.789 56.100 0.023 0.000 0.951 179 R CB -0.105 30.193 30.300 -0.004 0.000 0.851 179 R HN 0.359 nan 8.270 nan 0.000 0.434 180 K N -0.139 120.289 120.400 0.048 0.000 2.057 180 K HA -0.116 4.204 4.320 0.000 0.000 0.207 180 K C 2.151 178.785 176.600 0.057 0.000 1.049 180 K CA 1.422 57.736 56.287 0.046 0.000 0.931 180 K CB -0.224 32.300 32.500 0.041 0.000 0.714 180 K HN 0.237 nan 8.250 nan 0.000 0.440 181 A N 1.738 124.612 122.820 0.090 0.000 1.873 181 A HA -0.186 4.134 4.320 0.000 0.000 0.218 181 A C 2.095 179.728 177.584 0.082 0.000 1.193 181 A CA 1.553 53.648 52.037 0.097 0.000 0.629 181 A CB -0.919 18.204 19.000 0.204 0.000 0.826 181 A HN 0.215 nan 8.150 nan 0.000 0.447 182 L N -1.042 120.258 121.223 0.129 0.000 2.450 182 L HA 0.021 4.361 4.340 0.000 0.000 0.224 182 L C 1.681 178.578 176.870 0.045 0.000 1.149 182 L CA 0.585 55.480 54.840 0.091 0.000 0.816 182 L CB -0.790 41.324 42.059 0.092 0.000 0.932 182 L HN 0.695 nan 8.230 nan 0.000 0.449 183 G N 0.884 109.709 108.800 0.041 0.000 2.160 183 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 183 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 183 G C 0.079 174.995 174.900 0.028 0.000 1.022 183 G CA -0.205 44.911 45.100 0.027 0.000 0.741 183 G HN 0.310 nan 8.290 nan 0.000 0.508 184 I N 0.606 121.196 120.570 0.033 0.000 2.331 184 I HA 0.352 4.522 4.170 0.000 0.000 0.292 184 I C 0.078 176.217 176.117 0.037 0.000 0.998 184 I CA -0.647 60.674 61.300 0.035 0.000 1.267 184 I CB 1.400 39.423 38.000 0.038 0.000 1.386 184 I HN 0.138 nan 8.210 nan 0.000 0.476 185 D N 5.136 125.560 120.400 0.040 0.000 2.193 185 D HA 0.541 5.181 4.640 0.000 0.000 0.249 185 D C -0.436 175.896 176.300 0.053 0.000 1.034 185 D CA -0.339 53.686 54.000 0.042 0.000 0.902 185 D CB 1.696 42.518 40.800 0.037 0.000 1.182 185 D HN 0.588 nan 8.370 nan 0.000 0.436 186 A N 4.108 126.960 122.820 0.054 0.000 3.047 186 A HA 0.398 4.718 4.320 0.000 0.000 0.337 186 A C -2.431 175.196 177.584 0.071 0.000 1.143 186 A CA -1.301 50.777 52.037 0.069 0.000 0.905 186 A CB 0.192 19.228 19.000 0.061 0.000 1.088 186 A HN 0.476 nan 8.150 nan 0.000 0.488 187 P HA 0.156 nan 4.420 nan 0.000 0.265 187 P C -2.765 174.575 177.300 0.067 0.000 1.193 187 P CA -0.681 62.452 63.100 0.056 0.000 0.765 187 P CB 0.034 31.758 31.700 0.040 0.000 0.823 188 P HA 0.156 nan 4.420 nan 0.000 0.268 188 P C 0.576 177.896 177.300 0.033 0.000 1.204 188 P CA 0.262 63.414 63.100 0.086 0.000 0.768 188 P CB 0.383 32.131 31.700 0.080 0.000 0.842 189 R N 1.115 121.634 120.500 0.032 0.000 2.437 189 R HA 0.225 4.565 4.340 0.000 0.000 0.257 189 R C 0.121 176.103 176.300 -0.530 0.000 0.927 189 R CA 0.009 56.010 56.100 -0.164 0.000 1.078 189 R CB 0.262 30.517 30.300 -0.074 0.000 1.161 189 R HN 0.621 nan 8.270 nan 0.000 0.529 190 H N -0.857 118.168 119.070 -0.074 0.000 3.060 190 H HA 0.193 4.749 4.556 -0.000 0.000 0.330 190 H C -0.506 174.759 175.328 -0.105 0.000 1.305 190 H CA -0.813 55.083 56.048 -0.254 0.000 1.209 190 H CB 0.968 30.230 29.762 -0.833 0.000 1.913 190 H HN 0.091 nan 8.280 nan 0.000 0.534 191 R N 1.306 121.843 120.500 0.062 0.000 2.485 191 R HA 0.165 4.505 4.340 0.000 0.000 0.304 191 R C 0.077 176.462 176.300 0.142 0.000 0.934 191 R CA 0.482 56.627 56.100 0.075 0.000 1.102 191 R CB -1.344 28.983 30.300 0.045 0.000 0.906 191 R HN 0.511 nan 8.270 nan 0.000 0.407 192 T N 3.863 118.483 114.554 0.110 0.000 2.853 192 T HA 0.164 4.514 4.350 0.000 0.000 0.298 192 T C 0.140 174.824 174.700 -0.026 0.000 0.978 192 T CA 0.428 62.580 62.100 0.087 0.000 1.152 192 T CB 0.254 69.134 68.868 0.019 0.000 0.914 192 T HN 0.695 nan 8.240 nan 0.000 0.539 193 Q N 1.447 121.230 119.800 -0.028 0.000 2.297 193 Q HA 0.704 5.044 4.340 0.000 0.000 0.269 193 Q C -0.963 174.808 176.000 -0.381 0.000 1.051 193 Q CA -1.026 54.660 55.803 -0.195 0.000 0.869 193 Q CB 2.192 30.874 28.738 -0.093 0.000 1.346 193 Q HN 0.382 nan 8.270 nan 0.000 0.457 194 V N 1.805 121.337 119.914 -0.637 0.000 2.540 194 V HA 0.574 4.694 4.120 0.000 0.000 0.302 194 V C -1.145 174.354 176.094 -0.992 0.000 1.035 194 V CA -0.477 61.449 62.300 -0.624 0.000 0.873 194 V CB 0.999 32.566 31.823 -0.428 0.000 0.992 194 V HN 0.566 nan 8.190 nan 0.000 0.428 195 F N 2.661 122.165 119.950 -0.743 0.000 2.650 195 F HA 0.730 5.258 4.527 0.002 0.000 0.320 195 F C 0.178 175.740 175.800 -0.395 0.000 1.091 195 F CA -1.016 56.585 58.000 -0.665 0.000 0.962 195 F CB 2.085 40.540 39.000 -0.909 0.000 1.363 195 F HN 0.202 nan 8.300 nan 0.000 0.482 196 R N 0.759 121.334 120.500 0.124 0.000 2.513 196 R HA 0.432 4.772 4.340 0.000 0.000 0.301 196 R C -1.601 174.905 176.300 0.343 0.000 0.968 196 R CA -0.984 55.240 56.100 0.206 0.000 0.872 196 R CB 1.667 32.041 30.300 0.124 0.000 1.177 196 R HN 0.431 nan 8.270 nan 0.000 0.444 197 N N 2.591 121.520 118.700 0.381 0.000 2.469 197 N HA 0.336 5.076 4.740 0.000 0.000 0.253 197 N C -0.948 174.746 175.510 0.308 0.000 0.970 197 N CA -0.313 52.946 53.050 0.348 0.000 0.940 197 N CB 1.027 39.665 38.487 0.252 0.000 1.128 197 N HN 0.421 nan 8.380 nan 0.000 0.503 198 I N 2.620 123.360 120.570 0.284 0.000 2.307 198 I HA 0.247 4.417 4.170 0.000 0.000 0.289 198 I C -0.195 176.116 176.117 0.324 0.000 1.021 198 I CA -0.619 60.842 61.300 0.268 0.000 1.224 198 I CB 1.065 39.185 38.000 0.200 0.000 1.376 198 I HN 0.253 nan 8.210 nan 0.000 0.470 199 L N 8.881 130.257 121.223 0.255 0.000 2.264 199 L HA 0.569 4.909 4.340 0.000 0.000 0.289 199 L C -1.076 175.928 176.870 0.223 0.000 1.044 199 L CA -0.413 54.501 54.840 0.122 0.000 0.807 199 L CB 0.517 42.535 42.059 -0.068 0.000 1.192 199 L HN 0.562 nan 8.230 nan 0.000 0.425 200 F N 3.122 123.098 119.950 0.043 0.000 2.626 200 F HA 0.630 5.157 4.527 0.000 0.000 0.311 200 F C -0.970 174.893 175.800 0.105 0.000 1.088 200 F CA -1.216 56.821 58.000 0.062 0.000 0.949 200 F CB 1.151 40.181 39.000 0.050 0.000 1.322 200 F HN 0.359 nan 8.300 nan 0.000 0.461 201 R N 1.565 122.173 120.500 0.181 0.000 2.486 201 R HA 0.843 5.183 4.340 0.000 0.000 0.286 201 R C -1.314 175.133 176.300 0.244 0.000 0.999 201 R CA -0.703 55.465 56.100 0.114 0.000 0.993 201 R CB 1.544 31.900 30.300 0.094 0.000 1.084 201 R HN 1.109 nan 8.270 nan 0.000 0.487 202 A N 5.625 128.570 122.820 0.209 0.000 3.124 202 A HA 0.297 4.617 4.320 0.000 0.000 0.295 202 A C -2.250 175.427 177.584 0.154 0.000 1.199 202 A CA -1.053 51.091 52.037 0.178 0.000 0.845 202 A CB 1.020 20.080 19.000 0.100 0.000 1.381 202 A HN 0.632 nan 8.150 nan 0.000 0.537 203 P HA -0.220 nan 4.420 nan 0.000 0.218 203 P C 0.868 178.193 177.300 0.042 0.000 1.150 203 P CA 1.712 64.856 63.100 0.073 0.000 0.841 203 P CB 0.324 32.055 31.700 0.052 0.000 0.784 204 E N -2.190 118.018 120.200 0.013 0.000 2.498 204 E HA 0.070 4.420 4.350 0.000 0.000 0.203 204 E C 1.452 177.979 176.600 -0.123 0.000 1.013 204 E CA -0.280 56.092 56.400 -0.046 0.000 0.927 204 E CB -0.296 29.372 29.700 -0.053 0.000 1.012 204 E HN 0.121 nan 8.360 nan 0.000 0.482 205 L N 1.918 123.081 121.223 -0.099 0.000 2.017 205 L HA -0.137 4.203 4.340 0.000 0.000 0.208 205 L C 2.418 179.202 176.870 -0.144 0.000 1.073 205 L CA 1.877 56.591 54.840 -0.210 0.000 0.745 205 L CB -0.302 41.584 42.059 -0.287 0.000 0.894 205 L HN -0.027 nan 8.230 nan 0.000 0.432 206 R N -1.568 118.956 120.500 0.041 0.000 2.115 206 R HA -0.119 4.221 4.340 0.000 0.000 0.230 206 R C 2.337 178.593 176.300 -0.072 0.000 1.111 206 R CA 1.410 57.528 56.100 0.028 0.000 0.976 206 R CB -0.257 30.067 30.300 0.041 0.000 0.870 206 R HN 0.392 nan 8.270 nan 0.000 0.445 207 S N 0.260 115.903 115.700 -0.095 0.000 2.406 207 S HA 0.051 4.521 4.470 0.000 0.000 0.228 207 S C 1.771 176.272 174.600 -0.164 0.000 1.020 207 S CA 0.600 58.736 58.200 -0.106 0.000 0.965 207 S CB -0.002 63.148 63.200 -0.082 0.000 0.798 207 S HN 0.324 nan 8.310 nan 0.000 0.488 208 L N 0.745 121.781 121.223 -0.312 0.000 2.156 208 L HA -0.001 4.339 4.340 0.000 0.000 0.208 208 L C 2.146 178.766 176.870 -0.418 0.000 1.095 208 L CA 0.783 55.309 54.840 -0.525 0.000 0.770 208 L CB -0.352 40.972 42.059 -1.225 0.000 0.914 208 L HN 0.323 nan 8.230 nan 0.000 0.439 209 L N -0.846 120.191 121.223 -0.309 0.000 2.056 209 L HA -0.038 4.302 4.340 0.000 0.000 0.207 209 L C 1.759 178.648 176.870 0.033 0.000 1.078 209 L CA 0.913 55.735 54.840 -0.029 0.000 0.749 209 L CB -0.957 41.138 42.059 0.060 0.000 0.901 209 L HN 0.469 nan 8.230 nan 0.000 0.433 210 G N 0.021 108.809 108.800 -0.020 0.000 2.583 210 G HA2 -0.373 3.587 3.960 0.000 0.000 0.292 210 G HA3 -0.373 3.587 3.960 0.000 0.000 0.292 210 G C 0.750 175.655 174.900 0.008 0.000 1.203 210 G CA 0.410 45.504 45.100 -0.009 0.000 0.987 210 G HN 0.258 nan 8.290 nan 0.000 0.554 211 E N 0.888 121.104 120.200 0.026 0.000 2.171 211 E HA -0.135 4.215 4.350 0.000 0.000 0.197 211 E C 2.615 179.250 176.600 0.059 0.000 0.997 211 E CA 1.342 57.761 56.400 0.032 0.000 0.810 211 E CB -0.254 29.471 29.700 0.041 0.000 0.738 211 E HN 0.610 nan 8.360 nan 0.000 0.467 212 R N 0.702 121.264 120.500 0.103 0.000 2.285 212 R HA 0.100 4.440 4.340 0.000 0.000 0.213 212 R C 1.029 177.455 176.300 0.211 0.000 1.068 212 R CA 0.391 56.595 56.100 0.173 0.000 1.004 212 R CB -0.301 30.138 30.300 0.233 0.000 0.873 212 R HN -0.004 nan 8.270 nan 0.000 0.467 213 A N 1.507 124.402 122.820 0.124 0.000 2.615 213 A HA 0.306 4.626 4.320 0.000 0.000 0.230 213 A C 0.259 177.858 177.584 0.024 0.000 1.062 213 A CA 0.909 52.998 52.037 0.086 0.000 0.758 213 A CB 0.125 19.052 19.000 -0.122 0.000 0.995 213 A HN 0.401 nan 8.150 nan 0.000 0.511 214 A N 0.458 123.277 122.820 -0.002 0.000 2.608 214 A HA 0.557 4.877 4.320 0.000 0.000 0.292 214 A C 0.169 177.733 177.584 -0.033 0.000 1.066 214 A CA 0.063 51.990 52.037 -0.184 0.000 0.676 214 A CB 0.237 18.802 19.000 -0.725 0.000 1.277 214 A HN 1.823 nan 8.150 nan 0.000 0.413 215 L N 0.185 121.382 121.223 -0.045 0.000 2.127 215 L HA 0.482 4.822 4.340 0.000 0.000 0.203 215 L C -0.259 176.333 176.870 -0.464 0.000 1.080 215 L CA 1.746 56.496 54.840 -0.150 0.000 0.768 215 L CB -0.351 41.632 42.059 -0.127 0.000 0.924 215 L HN 0.560 nan 8.230 nan 0.000 0.444 216 F N -1.291 118.475 119.950 -0.307 0.000 2.520 216 F HA 0.456 4.983 4.527 -0.000 0.000 0.322 216 F C -0.768 174.760 175.800 -0.453 0.000 1.103 216 F CA -0.600 57.203 58.000 -0.328 0.000 0.926 216 F CB 1.493 40.321 39.000 -0.287 0.000 1.154 216 F HN -0.337 nan 8.300 nan 0.000 0.453 217 F N 3.430 123.357 119.950 -0.039 0.000 2.430 217 F HA 0.428 4.955 4.527 -0.000 0.000 0.362 217 F C -0.870 174.846 175.800 -0.139 0.000 1.103 217 F CA -1.108 56.872 58.000 -0.034 0.000 1.045 217 F CB 0.677 39.697 39.000 0.032 0.000 1.276 217 F HN 0.179 nan 8.300 nan 0.000 0.444 218 F N 4.395 124.241 119.950 -0.172 0.000 2.444 218 F HA 0.371 4.898 4.527 -0.000 0.000 0.360 218 F C -0.042 175.760 175.800 0.003 0.000 1.106 218 F CA -0.561 57.325 58.000 -0.189 0.000 1.170 218 F CB 0.474 39.081 39.000 -0.654 0.000 1.113 218 F HN 0.117 nan 8.300 nan 0.000 0.521 219 L N 4.570 125.914 121.223 0.201 0.000 2.326 219 L HA 0.354 4.694 4.340 0.000 0.000 0.278 219 L C 0.166 177.144 176.870 0.181 0.000 1.092 219 L CA 0.139 55.085 54.840 0.177 0.000 0.810 219 L CB 0.859 42.988 42.059 0.117 0.000 1.153 219 L HN 0.558 nan 8.230 nan 0.000 0.439 220 M N 5.007 124.731 119.600 0.207 0.000 2.808 220 M HA 0.246 4.726 4.480 0.000 0.000 0.225 220 M C 0.360 176.799 176.300 0.231 0.000 1.103 220 M CA 0.174 55.600 55.300 0.210 0.000 0.982 220 M CB 0.635 33.392 32.600 0.261 0.000 1.314 220 M HN 0.643 nan 8.290 nan 0.000 0.505 221 L N -0.285 121.036 121.223 0.163 0.000 2.766 221 L HA 0.330 4.670 4.340 0.000 0.000 0.241 221 L C 0.447 177.419 176.870 0.170 0.000 1.080 221 L CA 0.291 55.235 54.840 0.173 0.000 0.909 221 L CB 0.735 42.813 42.059 0.032 0.000 1.277 221 L HN 0.645 nan 8.230 nan 0.000 0.510 222 S N -2.982 112.782 115.700 0.106 0.000 2.669 222 S HA 0.065 4.535 4.470 0.000 0.000 0.266 222 S C 0.566 175.203 174.600 0.061 0.000 1.149 222 S CA 0.087 58.340 58.200 0.088 0.000 0.842 222 S CB 0.713 63.967 63.200 0.090 0.000 1.160 222 S HN 0.072 nan 8.310 nan 0.000 0.487 223 S N 0.938 116.681 115.700 0.072 0.000 2.383 223 S HA -0.072 4.398 4.470 0.000 0.000 0.227 223 S C 1.796 176.503 174.600 0.178 0.000 1.026 223 S CA 1.792 60.043 58.200 0.085 0.000 0.981 223 S CB -1.028 62.217 63.200 0.074 0.000 0.818 223 S HN 1.550 nan 8.310 nan 0.000 0.472 224 S N 0.002 115.820 115.700 0.196 0.000 2.492 224 S HA 0.344 4.814 4.470 0.000 0.000 0.218 224 S C 0.592 175.443 174.600 0.418 0.000 1.016 224 S CA -0.323 58.069 58.200 0.320 0.000 0.916 224 S CB -0.296 63.003 63.200 0.165 0.000 0.791 224 S HN 0.333 nan 8.310 nan 0.000 0.513 225 L N 3.365 124.728 121.223 0.232 0.000 2.843 225 L HA 0.476 4.816 4.340 0.000 0.000 0.234 225 L C 0.832 177.752 176.870 0.083 0.000 1.264 225 L CA -0.049 54.912 54.840 0.202 0.000 1.052 225 L CB 0.222 42.355 42.059 0.124 0.000 1.372 225 L HN 0.416 nan 8.230 nan 0.000 0.466 226 R N -1.357 119.071 120.500 -0.120 0.000 2.668 226 R HA 0.329 4.669 4.340 0.000 0.000 0.435 226 R C -0.812 175.155 176.300 -0.554 0.000 1.059 226 R CA -0.231 55.683 56.100 -0.310 0.000 1.073 226 R CB 0.008 30.077 30.300 -0.385 0.000 1.401 226 R HN 0.053 nan 8.270 nan 0.000 0.590 227 F N 1.479 121.556 119.950 0.213 0.000 2.631 227 F HA 0.644 5.171 4.527 -0.001 0.000 0.350 227 F C -2.109 173.716 175.800 0.043 0.000 1.080 227 F CA -2.845 55.261 58.000 0.175 0.000 1.026 227 F CB 0.975 40.089 39.000 0.191 0.000 1.347 227 F HN -0.144 nan 8.300 nan 0.000 0.501 228 P HA 0.261 nan 4.420 nan 0.000 0.282 228 P C -1.315 176.000 177.300 0.026 0.000 1.249 228 P CA -0.194 62.781 63.100 -0.209 0.000 0.806 228 P CB 1.873 33.195 31.700 -0.629 0.000 0.984 229 L N 4.008 125.278 121.223 0.077 0.000 2.342 229 L HA 0.513 4.853 4.340 0.000 0.000 0.276 229 L C 0.098 177.048 176.870 0.134 0.000 0.997 229 L CA -0.789 54.152 54.840 0.168 0.000 0.838 229 L CB 0.878 43.076 42.059 0.232 0.000 1.224 229 L HN 0.429 nan 8.230 nan 0.000 0.416 230 R N 4.534 125.033 120.500 -0.001 0.000 2.664 230 R HA 0.816 5.156 4.340 0.000 0.000 0.286 230 R C -0.937 175.257 176.300 -0.177 0.000 0.967 230 R CA -0.589 55.377 56.100 -0.222 0.000 0.933 230 R CB 1.759 31.696 30.300 -0.605 0.000 1.146 230 R HN 0.608 nan 8.270 nan 0.000 0.468 231 A N 4.373 127.058 122.820 -0.226 0.000 2.395 231 A HA 0.203 4.523 4.320 0.000 0.000 0.286 231 A C 0.838 178.227 177.584 -0.326 0.000 1.193 231 A CA -0.657 51.188 52.037 -0.320 0.000 0.852 231 A CB 0.025 18.923 19.000 -0.170 0.000 1.118 231 A HN 0.923 nan 8.150 nan 0.000 0.524 232 L N 1.354 122.349 121.223 -0.380 0.000 2.072 232 L HA -0.036 4.304 4.340 0.000 0.000 0.205 232 L C 1.408 178.105 176.870 -0.290 0.000 1.079 232 L CA 1.673 56.307 54.840 -0.342 0.000 0.752 232 L CB 0.014 41.864 42.059 -0.347 0.000 0.906 232 L HN 0.925 nan 8.230 nan 0.000 0.436 233 D N -2.491 117.755 120.400 -0.256 0.000 2.539 233 D HA 0.088 4.728 4.640 0.000 0.000 0.232 233 D C 1.177 177.393 176.300 -0.141 0.000 1.256 233 D CA 0.475 54.361 54.000 -0.190 0.000 0.810 233 D CB 0.082 40.667 40.800 -0.357 0.000 1.090 233 D HN 0.116 nan 8.370 nan 0.000 0.519 234 G N 1.447 110.036 108.800 -0.352 0.000 2.269 234 G HA2 -0.383 3.577 3.960 0.000 0.000 0.277 234 G HA3 -0.383 3.577 3.960 0.000 0.000 0.277 234 G C 0.727 175.481 174.900 -0.244 0.000 1.008 234 G CA 0.561 45.303 45.100 -0.596 0.000 0.774 234 G HN 0.486 nan 8.290 nan 0.000 0.511 235 R N -1.318 119.064 120.500 -0.197 0.000 2.616 235 R HA 0.451 4.791 4.340 0.000 0.000 0.427 235 R C 1.557 177.812 176.300 -0.074 0.000 1.030 235 R CA 0.437 56.487 56.100 -0.084 0.000 1.133 235 R CB 0.789 31.100 30.300 0.017 0.000 1.444 235 R HN 1.040 nan 8.270 nan 0.000 0.578 236 G N 0.672 109.371 108.800 -0.169 0.000 2.336 236 G HA2 -0.201 3.759 3.960 0.000 0.000 0.194 236 G HA3 -0.201 3.759 3.960 0.000 0.000 0.194 236 G C -0.181 174.654 174.900 -0.108 0.000 0.999 236 G CA -0.677 44.421 45.100 -0.003 0.000 0.669 236 G HN 0.171 nan 8.290 nan 0.000 0.482 237 L N 1.572 122.568 121.223 -0.380 0.000 2.276 237 L HA 0.728 5.068 4.340 0.000 0.000 0.286 237 L C -0.150 176.313 176.870 -0.678 0.000 1.061 237 L CA -0.906 53.704 54.840 -0.383 0.000 0.807 237 L CB 0.592 42.470 42.059 -0.300 0.000 1.177 237 L HN 0.266 nan 8.230 nan 0.000 0.429 238 Y N 3.500 123.439 120.300 -0.601 0.000 2.634 238 Y HA 0.626 5.176 4.550 0.000 0.000 0.340 238 Y C -0.341 175.259 175.900 -0.500 0.000 1.058 238 Y CA -1.133 56.612 58.100 -0.592 0.000 1.081 238 Y CB 1.775 39.772 38.460 -0.772 0.000 1.295 238 Y HN 0.398 nan 8.280 nan 0.000 0.487 239 R N 2.087 122.567 120.500 -0.033 0.000 2.512 239 R HA 0.373 4.713 4.340 0.000 0.000 0.291 239 R C -2.268 174.158 176.300 0.210 0.000 1.097 239 R CA -0.532 55.618 56.100 0.083 0.000 0.940 239 R CB 1.232 31.516 30.300 -0.027 0.000 1.198 239 R HN 0.726 nan 8.270 nan 0.000 0.429 240 L N 5.195 126.618 121.223 0.334 0.000 2.264 240 L HA 0.348 4.689 4.340 0.000 0.000 0.287 240 L C -0.567 176.450 176.870 0.246 0.000 1.039 240 L CA 0.105 55.111 54.840 0.277 0.000 0.829 240 L CB 1.507 43.718 42.059 0.253 0.000 1.211 240 L HN 0.737 nan 8.230 nan 0.000 0.427 241 T N 4.234 118.929 114.554 0.236 0.000 2.817 241 T HA 0.377 4.727 4.350 0.000 0.000 0.293 241 T C -0.577 174.304 174.700 0.302 0.000 0.964 241 T CA -0.295 61.965 62.100 0.267 0.000 1.085 241 T CB 0.945 69.943 68.868 0.217 0.000 0.921 241 T HN 0.492 nan 8.240 nan 0.000 0.502 242 V N 4.805 124.892 119.914 0.288 0.000 2.656 242 V HA 0.891 5.011 4.120 0.000 0.000 0.307 242 V C 0.457 176.660 176.094 0.181 0.000 1.051 242 V CA -0.146 62.332 62.300 0.298 0.000 0.893 242 V CB 1.586 33.536 31.823 0.213 0.000 0.999 242 V HN 1.129 nan 8.190 nan 0.000 0.426 243 G N 3.805 112.692 108.800 0.144 0.000 2.599 243 G HA2 0.572 4.533 3.960 0.000 0.000 0.264 243 G HA3 0.572 4.533 3.960 0.000 0.000 0.264 243 G C -0.333 174.471 174.900 -0.159 0.000 1.200 243 G CA 0.197 45.153 45.100 -0.240 0.000 0.896 243 G HN 1.815 nan 8.290 nan 0.000 0.536 244 V N -2.066 117.657 119.914 -0.319 0.000 3.040 244 V HA 0.838 4.958 4.120 0.000 0.000 0.312 244 V C -1.576 174.418 176.094 -0.168 0.000 1.115 244 V CA -1.114 61.074 62.300 -0.187 0.000 0.998 244 V CB 2.612 34.319 31.823 -0.193 0.000 1.042 244 V HN 0.596 nan 8.190 nan 0.000 0.433 245 D N 1.960 122.303 120.400 -0.095 0.000 2.470 245 D HA 0.412 5.052 4.640 0.000 0.000 0.233 245 D C 0.095 176.364 176.300 -0.050 0.000 1.372 245 D CA 0.524 54.481 54.000 -0.073 0.000 0.994 245 D CB 1.533 42.309 40.800 -0.040 0.000 1.377 245 D HN 1.080 nan 8.370 nan 0.000 0.586 252 M N 2.179 121.794 119.600 0.025 0.000 2.245 252 M HA 0.607 5.087 4.480 0.000 0.000 0.292 252 M C -0.762 175.560 176.300 0.036 0.000 1.176 252 M CA -0.310 55.008 55.300 0.029 0.000 1.035 252 M CB 1.158 33.776 32.600 0.029 0.000 1.440 252 M HN 0.190 nan 8.290 nan 0.000 0.494 253 D N -0.424 120.001 120.400 0.042 0.000 2.177 253 D HA 0.347 4.987 4.640 0.000 0.000 0.247 253 D C 0.307 176.646 176.300 0.065 0.000 1.063 253 D CA -0.001 54.034 54.000 0.058 0.000 0.867 253 D CB 1.251 42.093 40.800 0.071 0.000 1.168 253 D HN 0.651 nan 8.370 nan 0.000 0.445 254 S N 2.506 118.252 115.700 0.077 0.000 2.392 254 S HA -0.255 4.215 4.470 0.000 0.000 0.225 254 S C 1.702 176.333 174.600 0.052 0.000 1.041 254 S CA 1.110 59.354 58.200 0.072 0.000 1.100 254 S CB -0.690 62.570 63.200 0.099 0.000 1.029 254 S HN 0.686 nan 8.310 nan 0.000 0.424 255 F N 2.438 122.360 119.950 -0.046 0.000 2.250 255 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 255 F C 2.403 178.150 175.800 -0.088 0.000 1.077 255 F CA 1.295 59.246 58.000 -0.082 0.000 1.348 255 F CB -0.095 38.873 39.000 -0.053 0.000 1.040 255 F HN 0.091 nan 8.300 nan 0.000 0.509 256 E N 0.583 120.840 120.200 0.096 0.000 2.047 256 E HA -0.164 4.186 4.350 0.000 0.000 0.191 256 E C 2.406 178.949 176.600 -0.096 0.000 0.987 256 E CA 1.283 57.695 56.400 0.020 0.000 0.799 256 E CB -0.667 29.065 29.700 0.054 0.000 0.752 256 E HN 0.448 nan 8.360 nan 0.000 0.449 257 L N 0.275 121.452 121.223 -0.076 0.000 2.012 257 L HA -0.209 4.131 4.340 0.000 0.000 0.210 257 L C 2.562 179.322 176.870 -0.184 0.000 1.073 257 L CA 0.964 55.754 54.840 -0.084 0.000 0.748 257 L CB -0.563 41.481 42.059 -0.024 0.000 0.891 257 L HN 0.009 nan 8.230 nan 0.000 0.431 258 V N -0.654 119.067 119.914 -0.321 0.000 2.392 258 V HA -0.264 3.856 4.120 0.000 0.000 0.249 258 V C 2.698 178.499 176.094 -0.489 0.000 1.059 258 V CA 1.524 63.509 62.300 -0.526 0.000 1.051 258 V CB -0.709 30.562 31.823 -0.920 0.000 0.658 258 V HN 0.403 nan 8.190 nan 0.000 0.455 259 R N -0.061 120.138 120.500 -0.503 0.000 2.081 259 R HA -0.053 4.287 4.340 0.000 0.000 0.235 259 R C 2.455 178.613 176.300 -0.236 0.000 1.131 259 R CA 1.013 56.878 56.100 -0.392 0.000 0.960 259 R CB -0.573 29.521 30.300 -0.343 0.000 0.856 259 R HN 0.397 nan 8.270 nan 0.000 0.436 260 R N 0.211 120.600 120.500 -0.185 0.000 2.105 260 R HA -0.042 4.298 4.340 0.000 0.000 0.239 260 R C 1.988 178.204 176.300 -0.140 0.000 1.135 260 R CA 1.516 57.539 56.100 -0.128 0.000 0.967 260 R CB -0.680 29.571 30.300 -0.081 0.000 0.861 260 R HN 0.209 nan 8.270 nan 0.000 0.442 261 A N 0.310 123.038 122.820 -0.153 0.000 2.067 261 A HA 0.057 4.377 4.320 0.000 0.000 0.217 261 A C 0.786 178.267 177.584 -0.172 0.000 1.156 261 A CA 0.330 52.286 52.037 -0.135 0.000 0.683 261 A CB 0.454 19.396 19.000 -0.096 0.000 0.808 261 A HN 0.028 nan 8.150 nan 0.000 0.455 262 V N 0.171 119.965 119.914 -0.200 0.000 2.326 262 V HA 0.433 4.553 4.120 0.000 0.000 0.281 262 V C 1.328 177.315 176.094 -0.178 0.000 1.015 262 V CA -0.163 62.033 62.300 -0.174 0.000 0.823 262 V CB 0.481 32.214 31.823 -0.150 0.000 1.009 262 V HN 0.442 nan 8.190 nan 0.000 0.436 263 A N 4.827 127.487 122.820 -0.267 0.000 1.958 263 A HA -0.112 4.208 4.320 0.000 0.000 0.221 263 A C 0.828 178.210 177.584 -0.338 0.000 1.178 263 A CA 1.482 53.303 52.037 -0.361 0.000 0.642 263 A CB -0.466 18.215 19.000 -0.531 0.000 0.816 263 A HN 0.589 nan 8.150 nan 0.000 0.453 264 F N -0.111 119.762 119.950 -0.129 0.000 2.506 264 F HA 0.303 4.830 4.527 0.000 0.000 0.351 264 F C 0.712 176.458 175.800 -0.089 0.000 1.136 264 F CA -0.223 57.719 58.000 -0.097 0.000 1.298 264 F CB 0.314 39.259 39.000 -0.093 0.000 1.145 264 F HN 0.122 nan 8.300 nan 0.000 0.593 265 D N 1.450 121.936 120.400 0.144 0.000 2.557 265 D HA 0.164 4.804 4.640 0.000 0.000 0.236 265 D C -0.460 175.892 176.300 0.087 0.000 1.154 265 D CA 0.007 54.053 54.000 0.077 0.000 0.985 265 D CB 0.255 41.087 40.800 0.053 0.000 1.010 265 D HN 0.472 nan 8.370 nan 0.000 0.516 266 T N 1.038 115.637 114.554 0.075 0.000 2.916 266 T HA 0.287 4.637 4.350 0.000 0.000 0.292 266 T C -0.598 174.143 174.700 0.067 0.000 1.064 266 T CA -0.776 61.355 62.100 0.052 0.000 1.011 266 T CB 1.218 70.088 68.868 0.005 0.000 1.152 266 T HN 0.314 nan 8.240 nan 0.000 0.510 267 E N 1.679 121.923 120.200 0.072 0.000 2.608 267 E HA 0.114 4.464 4.350 0.000 0.000 0.259 267 E C -0.857 175.825 176.600 0.136 0.000 0.951 267 E CA 0.537 57.001 56.400 0.107 0.000 0.945 267 E CB 0.204 29.954 29.700 0.085 0.000 0.916 267 E HN 0.428 nan 8.360 nan 0.000 0.477 268 I N 4.578 125.273 120.570 0.209 0.000 2.531 268 I HA 0.123 4.293 4.170 0.000 0.000 0.283 268 I C -0.684 175.626 176.117 0.321 0.000 1.083 268 I CA -0.358 61.075 61.300 0.222 0.000 1.071 268 I CB 1.739 39.718 38.000 -0.034 0.000 1.210 268 I HN 0.539 nan 8.210 nan 0.000 0.450 269 E N 6.792 127.164 120.200 0.285 0.000 2.073 269 E HA 0.397 4.747 4.350 0.000 0.000 0.269 269 E C -1.240 175.520 176.600 0.267 0.000 0.917 269 E CA -0.596 55.948 56.400 0.239 0.000 0.757 269 E CB 1.547 31.345 29.700 0.163 0.000 1.111 269 E HN 0.331 nan 8.360 nan 0.000 0.410 270 V N 6.870 126.935 119.914 0.251 0.000 2.508 270 V HA 0.027 4.147 4.120 0.000 0.000 0.281 270 V C 1.130 177.324 176.094 0.167 0.000 1.041 270 V CA 0.235 62.673 62.300 0.229 0.000 1.016 270 V CB 0.984 32.925 31.823 0.196 0.000 0.984 270 V HN 0.824 nan 8.190 nan 0.000 0.478 271 L N 3.015 124.332 121.223 0.157 0.000 2.425 271 L HA 0.297 4.637 4.340 0.000 0.000 0.215 271 L C 0.705 177.630 176.870 0.093 0.000 1.065 271 L CA 0.477 55.375 54.840 0.096 0.000 0.842 271 L CB 0.308 42.398 42.059 0.051 0.000 1.033 271 L HN 0.633 nan 8.230 nan 0.000 0.474 272 S N -1.239 114.537 115.700 0.126 0.000 2.607 272 S HA 0.347 4.817 4.470 0.000 0.000 0.273 272 S C -0.808 173.891 174.600 0.166 0.000 1.148 272 S CA -0.558 57.726 58.200 0.140 0.000 0.833 272 S CB 2.743 66.052 63.200 0.182 0.000 1.130 272 S HN 0.090 nan 8.310 nan 0.000 0.470 273 D N 1.589 122.077 120.400 0.146 0.000 2.822 273 D HA 0.117 4.757 4.640 0.000 0.000 0.327 273 D C -0.353 176.020 176.300 0.121 0.000 1.577 273 D CA -0.127 53.957 54.000 0.140 0.000 0.785 273 D CB 0.279 41.145 40.800 0.110 0.000 1.199 273 D HN 0.547 nan 8.370 nan 0.000 0.443 274 S N 0.275 116.041 115.700 0.110 0.000 2.558 274 S HA 0.062 4.532 4.470 0.000 0.000 0.293 274 S C 0.394 175.062 174.600 0.113 0.000 1.292 274 S CA -0.218 58.017 58.200 0.057 0.000 1.063 274 S CB 1.764 64.934 63.200 -0.049 0.000 0.831 274 S HN 0.299 nan 8.310 nan 0.000 0.499 275 E N 3.101 123.368 120.200 0.112 0.000 2.216 275 E HA 0.451 4.801 4.350 0.000 0.000 0.279 275 E C -0.704 176.022 176.600 0.210 0.000 0.997 275 E CA -0.919 55.569 56.400 0.146 0.000 0.817 275 E CB 0.704 30.448 29.700 0.073 0.000 1.096 275 E HN 0.811 nan 8.360 nan 0.000 0.393 276 W N 3.243 124.571 121.300 0.046 0.000 3.031 276 W HA 0.418 5.079 4.660 0.002 0.000 0.337 276 W C -1.448 175.219 176.519 0.248 0.000 1.187 276 W CA -0.838 56.534 57.345 0.045 0.000 1.166 276 W CB 0.174 29.625 29.460 -0.015 0.000 1.437 276 W HN 0.554 nan 8.180 nan 0.000 0.551 277 H N 2.456 121.593 119.070 0.110 0.000 2.467 277 H HA 0.350 4.906 4.556 0.000 0.000 0.326 277 H C -0.430 174.954 175.328 0.094 0.000 1.094 277 H CA -1.083 54.948 56.048 -0.028 0.000 1.253 277 H CB 2.736 32.513 29.762 0.025 0.000 1.439 277 H HN 0.111 nan 8.280 nan 0.000 0.479 278 L N 4.275 125.527 121.223 0.049 0.000 2.278 278 L HA 0.212 4.552 4.340 0.000 0.000 0.287 278 L C 0.055 176.984 176.870 0.098 0.000 1.072 278 L CA -0.133 54.793 54.840 0.144 0.000 0.819 278 L CB 0.240 42.362 42.059 0.104 0.000 1.176 278 L HN 0.712 nan 8.230 nan 0.000 0.435 279 T N 1.210 115.803 114.554 0.065 0.000 2.887 279 T HA 0.536 4.886 4.350 0.000 0.000 0.288 279 T C -0.309 174.344 174.700 -0.077 0.000 1.021 279 T CA -0.611 61.531 62.100 0.070 0.000 1.000 279 T CB 1.141 70.087 68.868 0.131 0.000 1.034 279 T HN 0.623 nan 8.240 nan 0.000 0.467 280 H N 3.093 122.261 119.070 0.164 0.000 2.418 280 H HA 0.376 4.932 4.556 -0.000 0.000 0.238 280 H C -0.186 175.230 175.328 0.148 0.000 1.403 280 H CA -0.743 55.414 56.048 0.182 0.000 1.419 280 H CB 0.591 30.507 29.762 0.255 0.000 1.463 280 H HN 0.632 nan 8.280 nan 0.000 0.515 281 R N 0.390 121.016 120.500 0.209 0.000 2.574 281 R HA 0.641 4.981 4.340 0.000 0.000 0.288 281 R C -1.587 174.808 176.300 0.159 0.000 1.004 281 R CA -0.874 55.325 56.100 0.166 0.000 0.895 281 R CB 1.878 32.256 30.300 0.130 0.000 1.191 281 R HN -0.039 nan 8.270 nan 0.000 0.444 282 V N 1.757 121.771 119.914 0.167 0.000 2.667 282 V HA 0.672 4.792 4.120 0.000 0.000 0.308 282 V C 0.230 176.435 176.094 0.184 0.000 1.048 282 V CA -0.890 61.537 62.300 0.212 0.000 0.928 282 V CB 1.899 33.877 31.823 0.258 0.000 1.004 282 V HN 0.982 nan 8.190 nan 0.000 0.444 283 A N 1.884 124.827 122.820 0.205 0.000 2.401 283 A HA 0.298 4.618 4.320 0.000 0.000 0.259 283 A C 1.002 178.728 177.584 0.236 0.000 1.103 283 A CA -0.300 51.838 52.037 0.169 0.000 0.789 283 A CB 0.040 19.077 19.000 0.062 0.000 1.035 283 A HN 0.915 nan 8.150 nan 0.000 0.491 284 D N 0.636 121.121 120.400 0.141 0.000 2.116 284 D HA -0.073 4.567 4.640 0.000 0.000 0.193 284 D C 0.704 177.082 176.300 0.129 0.000 0.998 284 D CA 2.056 56.120 54.000 0.107 0.000 0.836 284 D CB 0.176 41.016 40.800 0.067 0.000 0.951 284 D HN 0.426 nan 8.370 nan 0.000 0.449 285 S N -1.672 114.128 115.700 0.166 0.000 2.542 285 S HA 0.346 4.816 4.470 0.000 0.000 0.293 285 S C -0.288 174.523 174.600 0.353 0.000 1.089 285 S CA -0.675 57.637 58.200 0.188 0.000 0.961 285 S CB 0.777 64.029 63.200 0.087 0.000 1.062 285 S HN -0.144 nan 8.310 nan 0.000 0.483 286 F N 2.417 122.360 119.950 -0.012 0.000 2.727 286 F HA 0.361 4.888 4.527 -0.000 0.000 0.302 286 F C 1.169 177.033 175.800 0.105 0.000 1.097 286 F CA -0.020 58.001 58.000 0.035 0.000 1.330 286 F CB -0.152 38.798 39.000 -0.083 0.000 1.084 286 F HN 0.600 nan 8.300 nan 0.000 0.578 287 S N -1.098 114.670 115.700 0.113 0.000 2.615 287 S HA 0.802 5.272 4.470 0.000 0.000 0.268 287 S C -1.105 173.385 174.600 -0.184 0.000 1.146 287 S CA -0.554 57.534 58.200 -0.187 0.000 0.818 287 S CB 1.571 64.374 63.200 -0.662 0.000 1.111 287 S HN 0.239 nan 8.310 nan 0.000 0.465 288 A N 0.508 123.168 122.820 -0.265 0.000 2.768 288 A HA 0.821 5.141 4.320 0.000 0.000 0.298 288 A C 0.778 178.269 177.584 -0.155 0.000 1.159 288 A CA 0.332 52.283 52.037 -0.142 0.000 0.783 288 A CB -0.062 18.907 19.000 -0.051 0.000 1.333 288 A HN 2.792 nan 8.150 nan 0.000 0.412 289 G N 1.950 110.652 108.800 -0.163 0.000 2.509 289 G HA2 -0.273 3.687 3.960 0.000 0.000 0.259 289 G HA3 -0.273 3.687 3.960 0.000 0.000 0.259 289 G C 0.637 175.473 174.900 -0.108 0.000 1.169 289 G CA 0.364 45.406 45.100 -0.098 0.000 0.953 289 G HN 0.914 nan 8.290 nan 0.000 0.563 290 R N -0.372 120.131 120.500 0.005 0.000 2.319 290 R HA 0.356 4.696 4.340 0.000 0.000 0.204 290 R C 0.239 176.667 176.300 0.214 0.000 0.954 290 R CA 0.274 56.481 56.100 0.178 0.000 1.066 290 R CB 0.097 30.401 30.300 0.008 0.000 0.991 290 R HN 0.258 nan 8.270 nan 0.000 0.486 291 V N 1.391 121.294 119.914 -0.018 0.000 2.435 291 V HA 0.371 4.491 4.120 0.000 0.000 0.290 291 V C -0.496 175.484 176.094 -0.189 0.000 1.030 291 V CA -0.494 61.799 62.300 -0.011 0.000 0.881 291 V CB 1.248 33.052 31.823 -0.032 0.000 0.983 291 V HN -0.038 nan 8.190 nan 0.000 0.445 292 F N 3.945 123.882 119.950 -0.021 0.000 2.618 292 F HA 0.739 5.266 4.527 0.000 0.000 0.332 292 F C -0.120 175.653 175.800 -0.045 0.000 1.061 292 F CA -0.915 57.082 58.000 -0.004 0.000 0.974 292 F CB 1.723 40.684 39.000 -0.064 0.000 1.310 292 F HN 0.167 nan 8.300 nan 0.000 0.491 293 L N 0.681 122.026 121.223 0.203 0.000 2.362 293 L HA 0.825 5.165 4.340 0.000 0.000 0.271 293 L C -0.932 175.931 176.870 -0.011 0.000 1.002 293 L CA -0.490 54.348 54.840 -0.003 0.000 0.818 293 L CB 2.394 44.369 42.059 -0.140 0.000 1.298 293 L HN 0.596 nan 8.230 nan 0.000 0.420 294 T N 0.558 115.045 114.554 -0.112 0.000 3.012 294 T HA 0.676 5.026 4.350 0.000 0.000 0.330 294 T C -0.080 174.499 174.700 -0.202 0.000 1.321 294 T CA 0.020 62.052 62.100 -0.113 0.000 1.067 294 T CB 1.976 70.825 68.868 -0.032 0.000 1.235 294 T HN 1.145 nan 8.240 nan 0.000 0.479 295 G N 2.452 111.073 108.800 -0.298 0.000 2.542 295 G HA2 -0.208 3.752 3.960 0.000 0.000 0.235 295 G HA3 -0.208 3.752 3.960 0.000 0.000 0.235 295 G C 0.266 174.956 174.900 -0.351 0.000 1.286 295 G CA 0.456 45.425 45.100 -0.219 0.000 0.904 295 G HN 0.675 nan 8.290 nan 0.000 0.577 296 D N 0.515 120.832 120.400 -0.139 0.000 2.228 296 D HA 0.092 4.732 4.640 0.000 0.000 0.203 296 D C 2.666 178.883 176.300 -0.137 0.000 0.988 296 D CA 2.313 56.259 54.000 -0.089 0.000 0.864 296 D CB -0.523 40.264 40.800 -0.022 0.000 0.928 296 D HN 0.935 nan 8.370 nan 0.000 0.469 297 A N 0.317 123.034 122.820 -0.171 0.000 1.972 297 A HA 0.018 4.338 4.320 0.000 0.000 0.219 297 A C 2.198 179.636 177.584 -0.244 0.000 1.169 297 A CA 1.983 53.925 52.037 -0.158 0.000 0.635 297 A CB -0.366 18.552 19.000 -0.136 0.000 0.810 297 A HN 0.260 nan 8.150 nan 0.000 0.446 298 A N -1.042 121.513 122.820 -0.442 0.000 1.973 298 A HA 0.381 4.701 4.320 0.000 0.000 0.210 298 A C 0.637 177.920 177.584 -0.501 0.000 1.200 298 A CA 1.068 52.676 52.037 -0.715 0.000 0.707 298 A CB -0.074 18.248 19.000 -1.130 0.000 0.862 298 A HN 0.892 nan 8.150 nan 0.000 0.461 299 H N -2.215 116.767 119.070 -0.147 0.000 3.179 299 H HA 0.561 5.117 4.556 -0.000 0.000 0.331 299 H C -0.904 174.441 175.328 0.029 0.000 1.013 299 H CA -0.232 55.816 56.048 0.000 0.000 1.430 299 H CB 0.049 29.865 29.762 0.090 0.000 1.895 299 H HN -0.014 nan 8.280 nan 0.000 0.468 300 T N 4.257 118.916 114.554 0.175 0.000 2.812 300 T HA 0.638 4.988 4.350 0.000 0.000 0.282 300 T C -0.666 174.113 174.700 0.132 0.000 0.990 300 T CA -0.636 61.546 62.100 0.136 0.000 0.960 300 T CB 0.256 69.172 68.868 0.080 0.000 0.948 300 T HN 0.653 nan 8.240 nan 0.000 0.438 301 L N 2.314 123.604 121.223 0.113 0.000 2.171 301 L HA 0.864 5.204 4.340 0.000 0.000 0.253 301 L C 0.359 177.215 176.870 -0.023 0.000 1.054 301 L CA -1.265 53.617 54.840 0.069 0.000 0.927 301 L CB 0.469 42.614 42.059 0.143 0.000 1.513 301 L HN 0.504 nan 8.230 nan 0.000 0.471 302 S N 0.841 116.493 115.700 -0.079 0.000 2.549 302 S HA 0.325 4.795 4.470 0.000 0.000 0.283 302 S C -1.448 173.119 174.600 -0.055 0.000 1.320 302 S CA -0.788 57.362 58.200 -0.085 0.000 1.058 302 S CB 0.304 63.485 63.200 -0.032 0.000 0.882 302 S HN 0.668 nan 8.310 nan 0.000 0.498 303 P HA 0.011 nan 4.420 nan 0.000 0.234 303 P C -0.178 177.025 177.300 -0.162 0.000 1.167 303 P CA 0.122 63.156 63.100 -0.109 0.000 0.763 303 P CB -0.229 31.372 31.700 -0.164 0.000 0.835 304 S N 0.444 116.047 115.700 -0.162 0.000 2.525 304 S HA 0.334 4.804 4.470 0.000 0.000 0.285 304 S C 1.675 175.972 174.600 -0.505 0.000 1.283 304 S CA 0.572 58.642 58.200 -0.216 0.000 1.072 304 S CB -0.343 62.782 63.200 -0.125 0.000 0.867 304 S HN 0.437 nan 8.310 nan 0.000 0.492 305 G N 2.468 110.971 108.800 -0.495 0.000 2.189 305 G HA2 -0.130 3.830 3.960 0.000 0.000 0.267 305 G HA3 -0.130 3.830 3.960 0.000 0.000 0.267 305 G C 0.760 175.267 174.900 -0.654 0.000 0.975 305 G CA 0.119 44.790 45.100 -0.715 0.000 0.644 305 G HN 2.010 nan 8.290 nan 0.000 0.537 306 G N -0.979 107.569 108.800 -0.420 0.000 2.325 306 G HA2 -0.030 3.930 3.960 0.000 0.000 0.274 306 G HA3 -0.030 3.930 3.960 0.000 0.000 0.274 306 G C 0.393 175.361 174.900 0.113 0.000 0.921 306 G CA 0.729 45.753 45.100 -0.127 0.000 1.340 306 G HN 0.888 nan 8.290 nan 0.000 0.447 307 F N 0.337 120.291 119.950 0.006 0.000 2.678 307 F HA 0.246 4.774 4.527 0.000 0.000 0.291 307 F C 2.525 178.339 175.800 0.024 0.000 1.123 307 F CA -0.047 57.951 58.000 -0.003 0.000 1.395 307 F CB -0.919 38.046 39.000 -0.059 0.000 1.121 307 F HN 0.406 nan 8.300 nan 0.000 0.592 308 G N 1.435 110.352 108.800 0.196 0.000 2.812 308 G HA2 -0.402 3.558 3.960 0.000 0.000 0.218 308 G HA3 -0.402 3.558 3.960 0.000 0.000 0.218 308 G C 1.776 176.769 174.900 0.154 0.000 1.287 308 G CA 1.536 46.725 45.100 0.148 0.000 0.796 308 G HN 0.339 nan 8.290 nan 0.000 0.649 309 M N 0.407 120.080 119.600 0.122 0.000 2.065 309 M HA -0.118 4.362 4.480 0.000 0.000 0.259 309 M C 2.390 178.772 176.300 0.137 0.000 1.069 309 M CA 2.255 57.627 55.300 0.121 0.000 1.110 309 M CB -0.447 32.215 32.600 0.103 0.000 1.328 309 M HN 0.213 nan 8.290 nan 0.000 0.405 310 N N 0.128 118.914 118.700 0.143 0.000 2.094 310 N HA -0.166 4.574 4.740 0.000 0.000 0.191 310 N C 1.659 177.224 175.510 0.092 0.000 1.023 310 N CA 2.250 55.373 53.050 0.121 0.000 0.857 310 N CB -0.903 37.694 38.487 0.183 0.000 1.013 310 N HN 0.484 nan 8.380 nan 0.000 0.426 311 T N 0.133 114.744 114.554 0.095 0.000 2.788 311 T HA -0.062 4.288 4.350 0.000 0.000 0.268 311 T C 1.882 176.667 174.700 0.142 0.000 1.044 311 T CA 1.394 63.505 62.100 0.017 0.000 1.139 311 T CB -0.543 68.278 68.868 -0.079 0.000 0.867 311 T HN 0.433 nan 8.240 nan 0.000 0.454 312 G N 0.872 109.838 108.800 0.278 0.000 2.403 312 G HA2 -0.064 3.896 3.960 0.000 0.000 0.216 312 G HA3 -0.064 3.896 3.960 0.000 0.000 0.216 312 G C 1.533 176.545 174.900 0.187 0.000 1.154 312 G CA 0.188 45.479 45.100 0.318 0.000 0.784 312 G HN 0.469 nan 8.290 nan 0.000 0.538 313 I N 1.244 121.895 120.570 0.136 0.000 2.226 313 I HA -0.102 4.068 4.170 0.000 0.000 0.245 313 I C 3.022 179.205 176.117 0.111 0.000 1.100 313 I CA 1.007 62.370 61.300 0.105 0.000 1.374 313 I CB -0.314 37.711 38.000 0.041 0.000 1.057 313 I HN 0.257 nan 8.210 nan 0.000 0.413 314 G N -0.096 108.758 108.800 0.090 0.000 2.414 314 G HA2 -0.221 3.739 3.960 0.000 0.000 0.215 314 G HA3 -0.221 3.739 3.960 0.000 0.000 0.215 314 G C 1.731 176.732 174.900 0.169 0.000 1.188 314 G CA 0.852 46.007 45.100 0.093 0.000 0.783 314 G HN 0.344 nan 8.290 nan 0.000 0.537 315 S N 1.108 116.941 115.700 0.222 0.000 2.400 315 S HA -0.065 4.405 4.470 0.000 0.000 0.232 315 S C 2.710 177.484 174.600 0.290 0.000 1.025 315 S CA 1.228 59.641 58.200 0.355 0.000 0.993 315 S CB -0.330 63.187 63.200 0.528 0.000 0.808 315 S HN 0.612 nan 8.310 nan 0.000 0.478 316 A N 1.697 124.627 122.820 0.184 0.000 1.855 316 A HA 0.128 4.448 4.320 0.000 0.000 0.215 316 A C 2.407 180.047 177.584 0.094 0.000 1.191 316 A CA 1.656 53.745 52.037 0.087 0.000 0.613 316 A CB -1.228 17.817 19.000 0.075 0.000 0.829 316 A HN 0.524 nan 8.150 nan 0.000 0.442 317 A N -0.320 122.613 122.820 0.189 0.000 1.940 317 A HA -0.219 4.101 4.320 0.000 0.000 0.219 317 A C 1.796 179.534 177.584 0.257 0.000 1.176 317 A CA 2.276 54.464 52.037 0.251 0.000 0.631 317 A CB -0.747 18.380 19.000 0.211 0.000 0.814 317 A HN 0.595 nan 8.150 nan 0.000 0.446 318 D N -0.806 119.732 120.400 0.229 0.000 2.077 318 D HA -0.139 4.501 4.640 0.000 0.000 0.196 318 D C 1.808 178.102 176.300 -0.011 0.000 0.986 318 D CA 1.321 55.480 54.000 0.264 0.000 0.829 318 D CB -0.173 40.777 40.800 0.250 0.000 0.983 318 D HN 0.209 nan 8.370 nan 0.000 0.453 319 L N 0.511 121.617 121.223 -0.194 0.000 2.079 319 L HA 0.026 4.366 4.340 0.000 0.000 0.210 319 L C 2.055 178.644 176.870 -0.468 0.000 1.081 319 L CA 2.242 56.709 54.840 -0.622 0.000 0.752 319 L CB -1.244 40.220 42.059 -0.992 0.000 0.896 319 L HN 0.183 nan 8.230 nan 0.000 0.433 320 G N 0.284 108.958 108.800 -0.209 0.000 2.777 320 G HA2 -0.373 3.587 3.960 0.000 0.000 0.217 320 G HA3 -0.373 3.587 3.960 0.000 0.000 0.217 320 G C 1.362 176.228 174.900 -0.058 0.000 1.295 320 G CA 1.457 46.498 45.100 -0.100 0.000 0.800 320 G HN 0.703 nan 8.290 nan 0.000 0.637 321 W N 1.538 122.786 121.300 -0.086 0.000 2.342 321 W HA -0.013 4.647 4.660 0.000 0.000 0.297 321 W C 2.038 178.475 176.519 -0.137 0.000 1.213 321 W CA 1.366 58.680 57.345 -0.053 0.000 1.251 321 W CB -0.828 28.635 29.460 0.005 0.000 1.136 321 W HN 0.254 nan 8.180 nan 0.000 0.526 322 K N 0.952 120.731 120.400 -1.035 0.000 2.063 322 K HA -0.150 4.170 4.320 0.000 0.000 0.208 322 K C 2.347 178.518 176.600 -0.715 0.000 1.048 322 K CA 1.982 57.588 56.287 -1.135 0.000 0.928 322 K CB -0.571 31.244 32.500 -1.141 0.000 0.713 322 K HN 0.224 nan 8.250 nan 0.000 0.442 323 L N 0.558 121.403 121.223 -0.630 0.000 2.046 323 L HA -0.191 4.149 4.340 0.000 0.000 0.208 323 L C 2.632 179.275 176.870 -0.378 0.000 1.077 323 L CA 1.070 55.547 54.840 -0.605 0.000 0.747 323 L CB -0.568 41.135 42.059 -0.593 0.000 0.896 323 L HN 0.230 nan 8.230 nan 0.000 0.432 324 A N -0.061 122.614 122.820 -0.241 0.000 1.902 324 A HA -0.178 4.142 4.320 0.000 0.000 0.217 324 A C 2.525 180.016 177.584 -0.155 0.000 1.181 324 A CA 1.710 53.696 52.037 -0.087 0.000 0.623 324 A CB -0.688 18.352 19.000 0.066 0.000 0.818 324 A HN 0.410 nan 8.150 nan 0.000 0.443 325 A N -1.053 121.549 122.820 -0.363 0.000 1.877 325 A HA -0.104 4.216 4.320 0.000 0.000 0.216 325 A C 2.334 179.439 177.584 -0.799 0.000 1.186 325 A CA 2.390 53.831 52.037 -0.994 0.000 0.620 325 A CB -1.294 16.853 19.000 -1.422 0.000 0.822 325 A HN 0.427 nan 8.150 nan 0.000 0.443 326 T N 0.338 114.579 114.554 -0.522 0.000 2.737 326 T HA -0.067 4.283 4.350 0.000 0.000 0.265 326 T C 1.810 176.429 174.700 -0.134 0.000 1.038 326 T CA 1.463 63.381 62.100 -0.303 0.000 1.144 326 T CB -0.405 68.300 68.868 -0.271 0.000 0.866 326 T HN 0.338 nan 8.240 nan 0.000 0.434 327 L N 0.486 121.655 121.223 -0.090 0.000 2.187 327 L HA -0.099 4.241 4.340 0.000 0.000 0.213 327 L C 2.818 179.700 176.870 0.020 0.000 1.100 327 L CA 1.041 55.899 54.840 0.030 0.000 0.765 327 L CB -0.315 41.774 42.059 0.050 0.000 0.904 327 L HN 0.054 nan 8.230 nan 0.000 0.437 328 R N -0.406 120.086 120.500 -0.013 0.000 2.161 328 R HA 0.075 4.415 4.340 0.000 0.000 0.213 328 R C 1.640 177.991 176.300 0.086 0.000 1.055 328 R CA 0.977 57.128 56.100 0.085 0.000 0.996 328 R CB -0.351 30.092 30.300 0.238 0.000 0.901 328 R HN 0.462 nan 8.270 nan 0.000 0.456 329 G N 0.173 108.972 108.800 -0.002 0.000 2.195 329 G HA2 -0.193 3.767 3.960 0.000 0.000 0.224 329 G HA3 -0.193 3.767 3.960 0.000 0.000 0.224 329 G C 0.776 175.750 174.900 0.124 0.000 0.990 329 G CA 0.271 45.393 45.100 0.038 0.000 0.639 329 G HN 0.475 nan 8.290 nan 0.000 0.514 330 W N 0.664 122.017 121.300 0.089 0.000 2.576 330 W HA 0.635 5.295 4.660 0.000 0.000 0.270 330 W C 0.999 177.586 176.519 0.112 0.000 1.255 330 W CA 0.467 57.885 57.345 0.121 0.000 1.314 330 W CB -0.826 28.740 29.460 0.177 0.000 1.101 330 W HN 0.844 nan 8.180 nan 0.000 0.595 331 A N 2.314 124.976 122.820 -0.264 0.000 2.462 331 A HA 0.448 4.768 4.320 0.000 0.000 0.243 331 A C 0.678 178.230 177.584 -0.054 0.000 1.076 331 A CA 0.466 52.331 52.037 -0.286 0.000 0.773 331 A CB -0.070 18.577 19.000 -0.589 0.000 1.010 331 A HN 0.283 nan 8.150 nan 0.000 0.493 332 G N 1.384 110.192 108.800 0.013 0.000 2.503 332 G HA2 0.445 4.406 3.960 0.000 0.000 0.257 332 G HA3 0.445 4.406 3.960 0.000 0.000 0.257 332 G C -0.914 173.978 174.900 -0.013 0.000 1.214 332 G CA -0.756 44.360 45.100 0.027 0.000 0.839 332 G HN 0.551 nan 8.290 nan 0.000 0.559 333 P HA -0.117 nan 4.420 nan 0.000 0.218 333 P C 1.620 178.920 177.300 0.000 0.000 1.146 333 P CA 1.572 64.674 63.100 0.003 0.000 0.813 333 P CB 0.126 31.835 31.700 0.016 0.000 0.778 334 G N -0.377 108.424 108.800 0.002 0.000 2.572 334 G HA2 -0.123 3.837 3.960 0.000 0.000 0.216 334 G HA3 -0.123 3.837 3.960 0.000 0.000 0.216 334 G C 1.419 176.310 174.900 -0.016 0.000 1.133 334 G CA -0.022 45.080 45.100 0.004 0.000 0.791 334 G HN 0.173 nan 8.290 nan 0.000 0.538 335 L N 0.796 121.987 121.223 -0.053 0.000 1.956 335 L HA -0.046 4.294 4.340 0.000 0.000 0.216 335 L C 2.784 179.561 176.870 -0.154 0.000 1.073 335 L CA 1.591 56.356 54.840 -0.125 0.000 0.762 335 L CB -0.617 41.307 42.059 -0.226 0.000 0.889 335 L HN 0.184 nan 8.230 nan 0.000 0.433 336 L N -0.836 120.296 121.223 -0.151 0.000 2.089 336 L HA -0.299 4.041 4.340 0.000 0.000 0.213 336 L C 2.568 179.497 176.870 0.099 0.000 1.079 336 L CA 1.352 56.138 54.840 -0.090 0.000 0.758 336 L CB -0.885 41.181 42.059 0.011 0.000 0.891 336 L HN 0.466 nan 8.230 nan 0.000 0.433 337 A N -0.116 122.749 122.820 0.075 0.000 1.972 337 A HA -0.210 4.110 4.320 0.000 0.000 0.219 337 A C 2.284 179.900 177.584 0.052 0.000 1.169 337 A CA 2.015 54.103 52.037 0.085 0.000 0.635 337 A CB -0.864 18.159 19.000 0.038 0.000 0.810 337 A HN 0.551 nan 8.150 nan 0.000 0.446 338 T N -3.778 110.779 114.554 0.005 0.000 3.163 338 T HA -0.136 4.214 4.350 0.000 0.000 0.260 338 T C 1.516 176.192 174.700 -0.039 0.000 1.156 338 T CA 1.155 63.234 62.100 -0.035 0.000 1.072 338 T CB -0.528 68.311 68.868 -0.048 0.000 0.937 338 T HN 0.488 nan 8.240 nan 0.000 0.528 339 Y N 2.165 122.406 120.300 -0.098 0.000 2.145 339 Y HA -0.017 4.533 4.550 0.000 0.000 0.286 339 Y C 2.295 178.170 175.900 -0.041 0.000 1.145 339 Y CA 1.628 59.685 58.100 -0.072 0.000 1.148 339 Y CB -0.566 37.902 38.460 0.013 0.000 0.981 339 Y HN 0.386 nan 8.280 nan 0.000 0.507 340 E N -0.039 120.006 120.200 -0.258 0.000 2.072 340 E HA -0.233 4.117 4.350 0.000 0.000 0.190 340 E C 2.259 178.576 176.600 -0.473 0.000 0.982 340 E CA 1.064 57.119 56.400 -0.575 0.000 0.803 340 E CB -0.301 29.208 29.700 -0.320 0.000 0.755 340 E HN 0.664 nan 8.360 nan 0.000 0.453 341 E N 0.072 120.122 120.200 -0.249 0.000 2.130 341 E HA -0.254 4.096 4.350 0.000 0.000 0.196 341 E C 1.690 178.180 176.600 -0.184 0.000 0.998 341 E CA 1.606 57.900 56.400 -0.178 0.000 0.806 341 E CB 0.127 29.769 29.700 -0.096 0.000 0.738 341 E HN 0.375 nan 8.360 nan 0.000 0.459 342 E N -1.010 119.044 120.200 -0.242 0.000 2.162 342 E HA 0.001 4.351 4.350 0.000 0.000 0.193 342 E C 2.242 178.737 176.600 -0.174 0.000 0.953 342 E CA -0.080 56.161 56.400 -0.266 0.000 0.849 342 E CB 0.211 29.511 29.700 -0.668 0.000 0.810 342 E HN 0.037 nan 8.360 nan 0.000 0.470 343 R N 1.011 121.360 120.500 -0.251 0.000 2.080 343 R HA 0.054 4.394 4.340 0.000 0.000 0.222 343 R C 2.214 178.390 176.300 -0.207 0.000 1.107 343 R CA 0.642 56.661 56.100 -0.136 0.000 0.980 343 R CB -0.695 29.583 30.300 -0.037 0.000 0.879 343 R HN 0.083 nan 8.270 nan 0.000 0.439 344 R N 0.812 120.935 120.500 -0.629 0.000 2.134 344 R HA -0.155 4.185 4.340 0.000 0.000 0.248 344 R C -0.812 175.364 176.300 -0.206 0.000 1.143 344 R CA 1.970 57.675 56.100 -0.659 0.000 0.957 344 R CB -1.018 28.681 30.300 -1.002 0.000 0.867 344 R HN 0.152 nan 8.270 nan 0.000 0.441 345 P HA -0.097 nan 4.420 nan 0.000 0.216 345 P C 1.349 178.646 177.300 -0.006 0.000 1.153 345 P CA 0.958 64.030 63.100 -0.045 0.000 0.848 345 P CB 0.062 31.756 31.700 -0.009 0.000 0.787 346 V N 0.420 120.313 119.914 -0.035 0.000 2.295 346 V HA -0.285 3.835 4.120 0.000 0.000 0.246 346 V C 2.482 178.477 176.094 -0.165 0.000 1.049 346 V CA 2.310 64.523 62.300 -0.145 0.000 1.024 346 V CB -1.756 29.876 31.823 -0.317 0.000 0.648 346 V HN 0.098 nan 8.190 nan 0.000 0.447 347 A N -0.038 122.685 122.820 -0.162 0.000 1.892 347 A HA -0.251 4.069 4.320 0.000 0.000 0.218 347 A C 2.190 179.767 177.584 -0.011 0.000 1.188 347 A CA 2.370 54.299 52.037 -0.180 0.000 0.631 347 A CB -0.623 18.364 19.000 -0.021 0.000 0.822 347 A HN 0.523 nan 8.150 nan 0.000 0.447 348 I N -0.055 120.538 120.570 0.037 0.000 2.202 348 I HA -0.227 3.943 4.170 0.000 0.000 0.242 348 I C 2.883 179.055 176.117 0.090 0.000 1.091 348 I CA 1.881 63.228 61.300 0.078 0.000 1.368 348 I CB -0.664 37.373 38.000 0.062 0.000 1.058 348 I HN 0.587 nan 8.210 nan 0.000 0.410 349 T N -2.679 111.926 114.554 0.085 0.000 2.915 349 T HA -0.093 4.257 4.350 0.000 0.000 0.269 349 T C 1.941 176.708 174.700 0.112 0.000 1.071 349 T CA 1.526 63.689 62.100 0.104 0.000 1.132 349 T CB -0.260 68.683 68.868 0.125 0.000 0.878 349 T HN 0.146 nan 8.240 nan 0.000 0.479 350 S N 0.918 116.681 115.700 0.104 0.000 2.377 350 S HA 0.196 4.666 4.470 0.000 0.000 0.223 350 S C 1.794 176.505 174.600 0.185 0.000 1.030 350 S CA 0.756 59.007 58.200 0.084 0.000 0.970 350 S CB -0.502 62.687 63.200 -0.019 0.000 0.830 350 S HN 0.531 nan 8.310 nan 0.000 0.473 351 L N 1.840 123.160 121.223 0.161 0.000 1.970 351 L HA -0.177 4.163 4.340 0.000 0.000 0.212 351 L C 2.445 179.457 176.870 0.236 0.000 1.071 351 L CA 1.663 56.632 54.840 0.215 0.000 0.751 351 L CB -0.397 41.794 42.059 0.221 0.000 0.889 351 L HN 0.173 nan 8.230 nan 0.000 0.432 352 E N 0.026 120.350 120.200 0.206 0.000 2.070 352 E HA -0.307 4.043 4.350 0.000 0.000 0.197 352 E C 2.025 178.705 176.600 0.133 0.000 1.004 352 E CA 1.646 58.154 56.400 0.180 0.000 0.805 352 E CB -0.334 29.460 29.700 0.156 0.000 0.744 352 E HN 0.528 nan 8.360 nan 0.000 0.451 353 E N 0.866 121.156 120.200 0.150 0.000 2.160 353 E HA -0.122 4.228 4.350 0.000 0.000 0.195 353 E C 1.744 178.459 176.600 0.192 0.000 0.991 353 E CA 1.328 57.825 56.400 0.162 0.000 0.810 353 E CB -0.223 29.577 29.700 0.167 0.000 0.742 353 E HN 0.204 nan 8.360 nan 0.000 0.466 354 A N 0.520 123.469 122.820 0.214 0.000 1.854 354 A HA -0.166 4.154 4.320 0.000 0.000 0.214 354 A C 2.213 179.821 177.584 0.041 0.000 1.192 354 A CA 1.564 53.635 52.037 0.056 0.000 0.611 354 A CB -0.970 18.074 19.000 0.074 0.000 0.832 354 A HN 0.408 nan 8.150 nan 0.000 0.442 355 N N 0.061 118.813 118.700 0.086 0.000 2.137 355 N HA -0.160 4.580 4.740 0.000 0.000 0.190 355 N C 1.439 176.925 175.510 -0.041 0.000 1.017 355 N CA 1.827 54.876 53.050 -0.001 0.000 0.859 355 N CB -0.351 37.960 38.487 -0.292 0.000 1.002 355 N HN 0.171 nan 8.380 nan 0.000 0.428 356 V N 0.729 120.634 119.914 -0.014 0.000 2.255 356 V HA -0.271 3.849 4.120 0.000 0.000 0.247 356 V C 1.950 178.039 176.094 -0.008 0.000 1.051 356 V CA 2.039 64.333 62.300 -0.010 0.000 1.018 356 V CB -0.797 31.032 31.823 0.011 0.000 0.641 356 V HN 0.467 nan 8.190 nan 0.000 0.445 357 N N -0.154 118.533 118.700 -0.021 0.000 2.061 357 N HA -0.229 4.511 4.740 0.000 0.000 0.193 357 N C 1.816 177.337 175.510 0.018 0.000 1.030 357 N CA 1.446 54.468 53.050 -0.047 0.000 0.856 357 N CB -0.242 38.163 38.487 -0.137 0.000 1.023 357 N HN 0.311 nan 8.380 nan 0.000 0.424 358 L N 2.188 123.436 121.223 0.043 0.000 1.971 358 L HA -0.191 4.149 4.340 0.000 0.000 0.215 358 L C 2.208 179.154 176.870 0.127 0.000 1.072 358 L CA 1.722 56.633 54.840 0.119 0.000 0.758 358 L CB -0.576 41.569 42.059 0.144 0.000 0.889 358 L HN 0.077 nan 8.230 nan 0.000 0.433 359 R N -0.273 120.267 120.500 0.067 0.000 2.103 359 R HA -0.211 4.129 4.340 0.000 0.000 0.242 359 R C 2.362 178.698 176.300 0.060 0.000 1.142 359 R CA 1.667 57.800 56.100 0.056 0.000 0.960 359 R CB -1.001 29.304 30.300 0.008 0.000 0.858 359 R HN 0.480 nan 8.270 nan 0.000 0.439 360 R N 0.218 120.743 120.500 0.042 0.000 2.226 360 R HA -0.133 4.207 4.340 0.000 0.000 0.246 360 R C 1.265 177.604 176.300 0.064 0.000 1.161 360 R CA 1.853 57.969 56.100 0.028 0.000 0.997 360 R CB 0.054 30.353 30.300 -0.001 0.000 0.870 360 R HN 0.184 nan 8.270 nan 0.000 0.465 361 T N 0.009 114.638 114.554 0.125 0.000 2.980 361 T HA 0.038 4.388 4.350 0.000 0.000 0.239 361 T C 1.677 176.459 174.700 0.136 0.000 1.011 361 T CA 0.490 62.692 62.100 0.170 0.000 1.171 361 T CB 0.030 69.070 68.868 0.287 0.000 0.873 361 T HN 0.047 nan 8.240 nan 0.000 0.431 362 M N 2.141 121.850 119.600 0.180 0.000 2.143 362 M HA -0.120 4.360 4.480 0.000 0.000 0.258 362 M C 1.530 177.888 176.300 0.096 0.000 1.071 362 M CA 1.489 56.892 55.300 0.171 0.000 1.088 362 M CB -1.142 31.571 32.600 0.188 0.000 1.360 362 M HN 0.195 nan 8.290 nan 0.000 0.404 363 D N -0.513 119.930 120.400 0.071 0.000 2.110 363 D HA -0.045 4.595 4.640 0.000 0.000 0.202 363 D C 1.032 177.348 176.300 0.028 0.000 0.975 363 D CA 0.323 54.348 54.000 0.041 0.000 0.839 363 D CB -0.334 40.481 40.800 0.025 0.000 0.996 363 D HN 0.272 nan 8.370 nan 0.000 0.464 364 R N 2.301 122.817 120.500 0.026 0.000 2.584 364 R HA -0.103 4.237 4.340 0.000 0.000 0.315 364 R C 0.134 176.445 176.300 0.018 0.000 0.863 364 R CA 0.396 56.504 56.100 0.014 0.000 1.139 364 R CB 0.056 30.373 30.300 0.029 0.000 0.880 364 R HN 0.266 nan 8.270 nan 0.000 0.413 365 E N 4.586 124.788 120.200 0.005 0.000 2.280 365 E HA 0.301 4.651 4.350 0.000 0.000 0.264 365 E C -0.709 175.895 176.600 0.007 0.000 1.064 365 E CA -0.809 55.594 56.400 0.005 0.000 0.900 365 E CB 0.934 30.632 29.700 -0.003 0.000 1.123 365 E HN 0.449 nan 8.360 nan 0.000 0.418 366 L N 1.691 122.917 121.223 0.005 0.000 2.324 366 L HA 0.400 4.740 4.340 0.000 0.000 0.274 366 L C -2.301 174.551 176.870 -0.029 0.000 1.012 366 L CA -2.268 52.573 54.840 0.002 0.000 0.859 366 L CB 1.040 43.110 42.059 0.018 0.000 1.224 366 L HN 0.375 nan 8.230 nan 0.000 0.429 367 P HA 0.136 nan 4.420 nan 0.000 0.267 367 P C -1.942 175.303 177.300 -0.093 0.000 1.209 367 P CA -0.914 62.154 63.100 -0.053 0.000 0.763 367 P CB 0.382 32.055 31.700 -0.046 0.000 0.816 368 P HA -0.126 nan 4.420 nan 0.000 0.219 368 P C 0.966 178.187 177.300 -0.132 0.000 1.144 368 P CA 1.457 64.494 63.100 -0.104 0.000 0.806 368 P CB 0.021 31.686 31.700 -0.058 0.000 0.771 369 G N -1.198 107.541 108.800 -0.102 0.000 4.294 369 G HA2 0.168 4.128 3.960 0.000 0.000 0.301 369 G HA3 0.168 4.128 3.960 0.000 0.000 0.301 369 G C 0.643 175.489 174.900 -0.089 0.000 1.321 369 G CA -0.144 44.906 45.100 -0.084 0.000 1.190 369 G HN 0.123 nan 8.290 nan 0.000 0.600 370 L N -0.423 120.701 121.223 -0.164 0.000 2.253 370 L HA 0.279 4.619 4.340 0.000 0.000 0.205 370 L C 2.215 179.116 176.870 0.052 0.000 1.078 370 L CA 1.333 56.118 54.840 -0.090 0.000 0.805 370 L CB -0.212 41.781 42.059 -0.109 0.000 0.963 370 L HN 0.292 nan 8.230 nan 0.000 0.459 371 H N -0.579 118.532 119.070 0.068 0.000 2.384 371 H HA 0.124 4.679 4.556 -0.000 0.000 0.300 371 H C -0.003 175.405 175.328 0.133 0.000 1.057 371 H CA 0.199 56.319 56.048 0.121 0.000 1.370 371 H CB -0.905 28.905 29.762 0.080 0.000 1.417 371 H HN 0.221 nan 8.280 nan 0.000 0.527 372 D N 3.274 123.774 120.400 0.167 0.000 3.139 372 D HA -0.091 4.549 4.640 0.000 0.000 0.212 372 D C 0.339 176.702 176.300 0.105 0.000 1.084 372 D CA 0.720 54.783 54.000 0.104 0.000 0.777 372 D CB 0.499 41.322 40.800 0.038 0.000 1.156 372 D HN 0.234 nan 8.370 nan 0.000 0.537 373 D N 1.079 121.563 120.400 0.140 0.000 2.356 373 D HA 0.423 5.063 4.640 0.000 0.000 0.258 373 D C 0.996 177.329 176.300 0.054 0.000 1.279 373 D CA 0.110 54.208 54.000 0.163 0.000 1.016 373 D CB 0.136 41.040 40.800 0.173 0.000 1.107 373 D HN 0.564 nan 8.370 nan 0.000 0.544 374 G N 0.483 109.312 108.800 0.048 0.000 3.284 374 G HA2 -0.135 3.825 3.960 0.000 0.000 0.665 374 G HA3 -0.135 3.825 3.960 0.000 0.000 0.665 374 G C -1.945 172.948 174.900 -0.010 0.000 0.894 374 G CA -0.871 44.240 45.100 0.019 0.000 0.838 374 G HN 0.257 nan 8.290 nan 0.000 0.501 375 P HA -0.125 nan 4.420 nan 0.000 0.225 375 P C 2.074 179.362 177.300 -0.019 0.000 1.141 375 P CA 2.139 65.225 63.100 -0.023 0.000 0.774 375 P CB -0.085 31.609 31.700 -0.011 0.000 0.760 376 R N -0.300 120.192 120.500 -0.012 0.000 2.323 376 R HA 0.275 4.615 4.340 0.000 0.000 0.198 376 R C 1.600 177.891 176.300 -0.015 0.000 0.988 376 R CA 1.355 57.449 56.100 -0.010 0.000 1.041 376 R CB -1.254 29.044 30.300 -0.003 0.000 0.926 376 R HN 0.381 nan 8.270 nan 0.000 0.476 377 G N -0.847 107.939 108.800 -0.023 0.000 5.432 377 G HA2 0.093 4.053 3.960 0.000 0.000 0.221 377 G HA3 0.093 4.053 3.960 0.000 0.000 0.221 377 G C 0.426 175.297 174.900 -0.048 0.000 0.809 377 G CA 0.500 45.583 45.100 -0.029 0.000 0.700 377 G HN 0.289 nan 8.290 nan 0.000 0.367 378 E N 0.574 120.738 120.200 -0.059 0.000 2.372 378 E HA 0.074 4.424 4.350 0.000 0.000 0.201 378 E C 1.934 178.494 176.600 -0.066 0.000 0.938 378 E CA 0.037 56.379 56.400 -0.096 0.000 0.944 378 E CB 0.266 29.898 29.700 -0.115 0.000 0.937 378 E HN 0.279 nan 8.360 nan 0.000 0.495 379 R N 0.546 121.021 120.500 -0.043 0.000 2.280 379 R HA 0.152 4.492 4.340 0.000 0.000 0.207 379 R C 2.234 178.515 176.300 -0.033 0.000 1.043 379 R CA 0.575 56.656 56.100 -0.032 0.000 1.006 379 R CB -0.261 30.025 30.300 -0.024 0.000 0.885 379 R HN 0.244 nan 8.270 nan 0.000 0.467 380 I N 0.400 120.949 120.570 -0.036 0.000 2.700 380 I HA -0.275 3.895 4.170 0.000 0.000 0.261 380 I C 1.850 177.949 176.117 -0.030 0.000 1.219 380 I CA 1.295 62.574 61.300 -0.035 0.000 1.463 380 I CB -0.191 37.786 38.000 -0.038 0.000 1.092 380 I HN 0.167 nan 8.210 nan 0.000 0.452 381 R N 0.727 121.210 120.500 -0.028 0.000 2.112 381 R HA 0.137 4.477 4.340 0.000 0.000 0.216 381 R C 2.421 178.715 176.300 -0.011 0.000 1.080 381 R CA 0.983 57.079 56.100 -0.007 0.000 0.996 381 R CB -0.286 30.013 30.300 -0.002 0.000 0.902 381 R HN 0.251 nan 8.270 nan 0.000 0.449 382 A N 1.529 124.338 122.820 -0.018 0.000 2.125 382 A HA -0.044 4.276 4.320 0.000 0.000 0.219 382 A C 2.140 179.697 177.584 -0.046 0.000 1.156 382 A CA 1.491 53.515 52.037 -0.023 0.000 0.671 382 A CB -0.349 18.640 19.000 -0.018 0.000 0.794 382 A HN 0.379 nan 8.150 nan 0.000 0.459 383 A N 0.057 122.849 122.820 -0.046 0.000 1.824 383 A HA 0.032 4.352 4.320 0.000 0.000 0.215 383 A C 2.202 179.737 177.584 -0.081 0.000 1.244 383 A CA 1.936 53.939 52.037 -0.057 0.000 0.604 383 A CB -1.393 17.579 19.000 -0.046 0.000 0.900 383 A HN 1.126 nan 8.150 nan 0.000 0.455 384 V N -1.909 117.962 119.914 -0.071 0.000 2.828 384 V HA -0.039 4.081 4.120 0.000 0.000 0.260 384 V C 2.306 178.304 176.094 -0.159 0.000 1.101 384 V CA 1.684 63.926 62.300 -0.095 0.000 1.123 384 V CB -1.783 30.009 31.823 -0.051 0.000 0.704 384 V HN 0.598 nan 8.190 nan 0.000 0.493 385 A N 0.736 123.473 122.820 -0.139 0.000 1.828 385 A HA -0.239 4.081 4.320 0.000 0.000 0.215 385 A C 2.344 179.682 177.584 -0.409 0.000 1.203 385 A CA 1.961 53.871 52.037 -0.211 0.000 0.614 385 A CB -0.833 18.119 19.000 -0.080 0.000 0.844 385 A HN 0.618 nan 8.150 nan 0.000 0.445 386 E N -0.284 119.750 120.200 -0.275 0.000 2.153 386 E HA -0.234 4.116 4.350 0.000 0.000 0.194 386 E C 2.051 178.471 176.600 -0.300 0.000 0.988 386 E CA 1.351 57.578 56.400 -0.287 0.000 0.811 386 E CB -0.143 29.461 29.700 -0.161 0.000 0.746 386 E HN 0.565 nan 8.360 nan 0.000 0.466 387 K N 0.319 120.575 120.400 -0.240 0.000 2.089 387 K HA -0.194 4.126 4.320 0.000 0.000 0.210 387 K C 2.216 178.655 176.600 -0.269 0.000 1.048 387 K CA 1.396 57.561 56.287 -0.204 0.000 0.926 387 K CB -0.068 32.338 32.500 -0.156 0.000 0.714 387 K HN 0.184 nan 8.250 nan 0.000 0.448 388 L N 0.071 121.048 121.223 -0.410 0.000 2.044 388 L HA -0.159 4.181 4.340 0.000 0.000 0.205 388 L C 2.508 179.063 176.870 -0.525 0.000 1.075 388 L CA 1.289 55.819 54.840 -0.516 0.000 0.747 388 L CB -0.492 41.112 42.059 -0.759 0.000 0.903 388 L HN 0.253 nan 8.230 nan 0.000 0.435 389 E N 0.884 120.644 120.200 -0.733 0.000 2.086 389 E HA -0.296 4.054 4.350 0.000 0.000 0.205 389 E C 2.218 178.683 176.600 -0.225 0.000 1.027 389 E CA 1.909 58.026 56.400 -0.471 0.000 0.830 389 E CB -0.061 29.401 29.700 -0.397 0.000 0.751 389 E HN 0.229 nan 8.360 nan 0.000 0.456 390 R N -0.122 120.250 120.500 -0.213 0.000 2.092 390 R HA -0.062 4.278 4.340 0.000 0.000 0.231 390 R C 2.584 178.813 176.300 -0.119 0.000 1.119 390 R CA 1.286 57.306 56.100 -0.133 0.000 0.970 390 R CB -0.492 29.736 30.300 -0.120 0.000 0.864 390 R HN 0.345 nan 8.270 nan 0.000 0.440 391 S N 0.382 115.989 115.700 -0.156 0.000 2.571 391 S HA -0.059 4.411 4.470 0.000 0.000 0.245 391 S C 1.172 175.716 174.600 -0.094 0.000 0.976 391 S CA 0.545 58.670 58.200 -0.125 0.000 0.954 391 S CB -0.531 62.575 63.200 -0.157 0.000 0.756 391 S HN 0.525 nan 8.310 nan 0.000 0.535 392 G N 0.573 109.325 108.800 -0.081 0.000 2.363 392 G HA2 -0.037 3.924 3.960 0.000 0.000 0.286 392 G HA3 -0.037 3.924 3.960 0.000 0.000 0.286 392 G C 0.554 175.431 174.900 -0.039 0.000 0.975 392 G CA 0.080 45.157 45.100 -0.039 0.000 1.309 392 G HN 1.240 nan 8.290 nan 0.000 0.491 393 A N 1.110 123.908 122.820 -0.037 0.000 2.169 393 A HA 0.354 4.674 4.320 0.000 0.000 0.210 393 A C 2.183 179.814 177.584 0.078 0.000 1.168 393 A CA 1.310 53.329 52.037 -0.030 0.000 0.813 393 A CB -0.035 18.880 19.000 -0.140 0.000 0.861 393 A HN 1.138 nan 8.150 nan 0.000 0.481 394 R N 0.549 121.141 120.500 0.153 0.000 2.280 394 R HA 0.015 4.355 4.340 0.000 0.000 0.207 394 R C 1.491 177.880 176.300 0.149 0.000 1.043 394 R CA 1.188 57.459 56.100 0.285 0.000 1.006 394 R CB -0.576 29.867 30.300 0.240 0.000 0.885 394 R HN 0.455 nan 8.270 nan 0.000 0.467 395 R N 0.672 121.188 120.500 0.027 0.000 2.152 395 R HA -0.094 4.246 4.340 0.000 0.000 0.232 395 R C 1.753 177.985 176.300 -0.113 0.000 1.117 395 R CA 1.474 57.571 56.100 -0.005 0.000 0.981 395 R CB -0.330 29.965 30.300 -0.008 0.000 0.870 395 R HN 0.477 nan 8.270 nan 0.000 0.451 396 E N 0.172 120.153 120.200 -0.365 0.000 2.472 396 E HA -0.124 4.226 4.350 0.000 0.000 0.200 396 E C 0.191 176.252 176.600 -0.898 0.000 1.046 396 E CA 0.720 56.704 56.400 -0.692 0.000 0.871 396 E CB 0.228 29.353 29.700 -0.958 0.000 0.806 396 E HN 0.310 nan 8.360 nan 0.000 0.533 397 F N -0.760 119.214 119.950 0.040 0.000 2.767 397 F HA 0.288 4.815 4.527 -0.000 0.000 0.323 397 F C 0.193 176.054 175.800 0.102 0.000 1.091 397 F CA -0.537 57.487 58.000 0.041 0.000 1.192 397 F CB 0.874 39.889 39.000 0.025 0.000 1.056 397 F HN -0.190 nan 8.300 nan 0.000 0.571 398 D N 1.214 121.733 120.400 0.199 0.000 2.358 398 D HA 0.567 5.207 4.640 0.000 0.000 0.253 398 D C -0.552 175.833 176.300 0.142 0.000 1.288 398 D CA 0.075 54.191 54.000 0.193 0.000 0.950 398 D CB 1.361 42.273 40.800 0.187 0.000 1.197 398 D HN 0.084 nan 8.370 nan 0.000 0.550 399 A N 4.823 127.730 122.820 0.145 0.000 2.959 399 A HA 0.361 4.681 4.320 0.000 0.000 0.280 399 A C -1.528 175.993 177.584 -0.106 0.000 0.953 399 A CA -0.691 51.355 52.037 0.015 0.000 1.047 399 A CB 0.587 19.581 19.000 -0.009 0.000 1.147 399 A HN 0.335 nan 8.150 nan 0.000 0.489 400 P HA -0.232 nan 4.420 nan 0.000 0.218 400 P C 1.672 178.583 177.300 -0.649 0.000 1.146 400 P CA 2.149 65.166 63.100 -0.137 0.000 0.820 400 P CB 0.030 31.806 31.700 0.127 0.000 0.778 401 G N 0.890 109.424 108.800 -0.444 0.000 2.480 401 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 401 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 401 G C 1.612 176.125 174.900 -0.645 0.000 1.200 401 G CA 0.546 45.342 45.100 -0.506 0.000 0.782 401 G HN 0.139 nan 8.290 nan 0.000 0.554 402 I N 0.807 121.004 120.570 -0.622 0.000 2.264 402 I HA -0.132 4.038 4.170 0.000 0.000 0.248 402 I C 2.499 178.199 176.117 -0.696 0.000 1.111 402 I CA 1.273 62.105 61.300 -0.781 0.000 1.382 402 I CB -1.065 36.277 38.000 -1.097 0.000 1.060 402 I HN 0.238 nan 8.210 nan 0.000 0.418 403 H N -0.389 118.306 119.070 -0.625 0.000 2.317 403 H HA -0.019 4.538 4.556 0.000 0.000 0.304 403 H C 2.196 177.136 175.328 -0.647 0.000 1.067 403 H CA 1.500 57.148 56.048 -0.666 0.000 1.352 403 H CB -0.454 28.747 29.762 -0.936 0.000 1.398 403 H HN 0.303 nan 8.280 nan 0.000 0.510 404 F N 0.089 119.770 119.950 -0.449 0.000 2.714 404 F HA 0.185 4.712 4.527 0.000 0.000 0.294 404 F C 2.347 177.915 175.800 -0.387 0.000 1.120 404 F CA 0.125 57.845 58.000 -0.466 0.000 1.398 404 F CB -0.072 38.492 39.000 -0.726 0.000 1.120 404 F HN 0.119 nan 8.300 nan 0.000 0.589 405 G N -0.450 108.052 108.800 -0.497 0.000 2.707 405 G HA2 -0.150 3.810 3.960 0.000 0.000 0.192 405 G HA3 -0.150 3.810 3.960 0.000 0.000 0.192 405 G C -0.204 174.643 174.900 -0.088 0.000 1.471 405 G CA 0.154 45.160 45.100 -0.157 0.000 0.865 405 G HN 0.373 nan 8.290 nan 0.000 0.529 406 H N 0.288 119.315 119.070 -0.071 0.000 1.994 406 H HA -0.110 4.446 4.556 -0.000 0.000 0.281 406 H C -0.282 174.948 175.328 -0.163 0.000 0.726 406 H CA 1.158 57.150 56.048 -0.092 0.000 0.946 406 H CB -1.312 28.388 29.762 -0.102 0.000 1.427 406 H HN 0.224 nan 8.280 nan 0.000 0.238 407 T N 5.264 119.814 114.554 -0.005 0.000 2.772 407 T HA 0.285 4.635 4.350 0.000 0.000 0.288 407 T C 0.140 174.878 174.700 0.064 0.000 0.994 407 T CA -0.714 61.353 62.100 -0.054 0.000 0.951 407 T CB 0.388 69.247 68.868 -0.015 0.000 0.933 407 T HN 0.205 nan 8.240 nan 0.000 0.447 408 Y N 2.222 122.629 120.300 0.179 0.000 2.411 408 Y HA 0.431 4.981 4.550 -0.000 0.000 0.333 408 Y C 0.998 176.964 175.900 0.110 0.000 1.186 408 Y CA -0.972 57.220 58.100 0.152 0.000 1.381 408 Y CB 0.389 38.962 38.460 0.190 0.000 1.273 408 Y HN 0.461 nan 8.280 nan 0.000 0.546 409 R N 1.806 122.459 120.500 0.254 0.000 2.607 409 R HA 0.499 4.839 4.340 0.000 0.000 0.278 409 R C -1.430 174.946 176.300 0.127 0.000 1.637 409 R CA -0.246 55.948 56.100 0.156 0.000 1.325 409 R CB 0.140 30.504 30.300 0.108 0.000 1.211 409 R HN 0.713 nan 8.270 nan 0.000 0.565 410 S N 0.143 115.923 115.700 0.134 0.000 2.720 410 S HA 0.281 4.751 4.470 0.000 0.000 0.287 410 S C 0.697 175.352 174.600 0.093 0.000 1.168 410 S CA -0.174 58.080 58.200 0.090 0.000 0.832 410 S CB 1.093 64.328 63.200 0.058 0.000 1.166 410 S HN 0.460 nan 8.310 nan 0.000 0.493 411 S N 0.367 116.108 115.700 0.068 0.000 2.461 411 S HA -0.149 4.321 4.470 0.000 0.000 0.246 411 S C 1.359 176.019 174.600 0.099 0.000 1.007 411 S CA 1.365 59.607 58.200 0.070 0.000 0.976 411 S CB -1.225 62.004 63.200 0.048 0.000 0.763 411 S HN 1.131 nan 8.310 nan 0.000 0.508 412 I N -2.014 118.633 120.570 0.127 0.000 3.936 412 I HA 0.526 4.696 4.170 0.000 0.000 0.330 412 I C -0.747 175.504 176.117 0.223 0.000 1.509 412 I CA -0.701 60.706 61.300 0.179 0.000 1.126 412 I CB 0.775 38.904 38.000 0.214 0.000 1.115 412 I HN -0.012 nan 8.210 nan 0.000 0.424 413 V N 1.381 121.414 119.914 0.197 0.000 2.487 413 V HA 0.247 4.367 4.120 0.000 0.000 0.298 413 V C 0.090 176.297 176.094 0.188 0.000 1.028 413 V CA -0.551 61.880 62.300 0.218 0.000 0.860 413 V CB 1.528 33.484 31.823 0.223 0.000 0.991 413 V HN 0.349 nan 8.190 nan 0.000 0.427 414 C N 5.274 124.704 119.300 0.216 0.000 2.518 414 C HA 0.429 4.889 4.460 0.000 0.000 0.456 414 C C 1.498 176.567 174.990 0.132 0.000 1.016 414 C CA -0.765 58.374 59.018 0.201 0.000 1.210 414 C CB -1.663 26.272 27.740 0.325 0.000 1.542 414 C HN 1.040 nan 8.230 nan 0.000 0.545 415 G N 2.375 111.239 108.800 0.107 0.000 2.559 415 G HA2 0.286 4.246 3.960 0.000 0.000 0.235 415 G HA3 0.286 4.246 3.960 0.000 0.000 0.235 415 G C -0.079 174.844 174.900 0.037 0.000 1.266 415 G CA -0.111 45.030 45.100 0.070 0.000 0.847 415 G HN 0.753 nan 8.290 nan 0.000 0.583 425 G N -0.699 108.102 108.800 0.003 0.000 2.444 425 G HA2 0.438 4.398 3.960 0.000 0.000 0.268 425 G HA3 0.438 4.398 3.960 0.000 0.000 0.268 425 G C -0.506 174.419 174.900 0.040 0.000 1.203 425 G CA -0.178 44.944 45.100 0.038 0.000 0.835 425 G HN 0.772 nan 8.290 nan 0.000 0.543 426 W N 1.757 123.019 121.300 -0.063 0.000 2.210 426 W HA 0.563 5.223 4.660 0.000 0.000 0.330 426 W C 0.380 176.844 176.519 -0.092 0.000 1.334 426 W CA 0.342 57.644 57.345 -0.072 0.000 1.227 426 W CB 0.444 29.872 29.460 -0.055 0.000 1.178 426 W HN 0.781 nan 8.180 nan 0.000 0.560 427 R N 4.750 124.468 120.500 -1.302 0.000 2.799 427 R HA 0.616 4.956 4.340 0.000 0.000 0.270 427 R C -2.975 172.293 176.300 -1.721 0.000 1.010 427 R CA -1.784 53.530 56.100 -1.310 0.000 0.916 427 R CB 0.235 30.166 30.300 -0.615 0.000 1.228 427 R HN 0.462 nan 8.270 nan 0.000 0.469 428 P HA 0.320 nan 4.420 nan 0.000 0.276 428 P C -0.767 176.255 177.300 -0.463 0.000 1.243 428 P CA 0.044 62.739 63.100 -0.675 0.000 0.768 428 P CB 1.492 32.969 31.700 -0.371 0.000 0.856 429 S N 2.137 117.620 115.700 -0.361 0.000 2.671 429 S HA 0.761 5.231 4.470 0.000 0.000 0.299 429 S C 0.073 174.475 174.600 -0.330 0.000 1.116 429 S CA -0.246 57.767 58.200 -0.311 0.000 0.912 429 S CB 1.358 64.407 63.200 -0.252 0.000 1.130 429 S HN 0.271 nan 8.310 nan 0.000 0.501 430 A N 1.469 124.089 122.820 -0.333 0.000 2.551 430 A HA 0.336 4.656 4.320 0.000 0.000 0.252 430 A C 0.532 177.991 177.584 -0.208 0.000 1.199 430 A CA -0.381 51.433 52.037 -0.373 0.000 0.972 430 A CB -0.233 18.450 19.000 -0.528 0.000 1.153 430 A HN 0.876 nan 8.150 nan 0.000 0.559 431 R N 0.380 120.773 120.500 -0.179 0.000 2.698 431 R HA 0.235 4.576 4.340 0.000 0.000 0.266 431 R C -2.748 173.501 176.300 -0.086 0.000 1.026 431 R CA -0.710 55.314 56.100 -0.127 0.000 1.102 431 R CB -0.688 29.545 30.300 -0.112 0.000 0.978 431 R HN -0.042 nan 8.270 nan 0.000 0.436 432 P HA -0.026 nan 4.420 nan 0.000 0.264 432 P C 0.502 177.834 177.300 0.054 0.000 1.183 432 P CA 1.622 64.738 63.100 0.028 0.000 0.763 432 P CB 0.773 32.504 31.700 0.051 0.000 0.807 433 G N 1.206 110.075 108.800 0.115 0.000 2.217 433 G HA2 -0.148 3.812 3.960 0.000 0.000 0.246 433 G HA3 -0.148 3.812 3.960 0.000 0.000 0.246 433 G C 0.391 175.274 174.900 -0.028 0.000 0.990 433 G CA 0.059 45.262 45.100 0.172 0.000 0.627 433 G HN 0.851 nan 8.290 nan 0.000 0.522 434 A N -0.025 122.699 122.820 -0.158 0.000 2.256 434 A HA 0.824 5.144 4.320 0.000 0.000 0.318 434 A C 0.661 177.856 177.584 -0.648 0.000 1.103 434 A CA 0.368 52.180 52.037 -0.376 0.000 0.860 434 A CB 0.529 19.404 19.000 -0.208 0.000 1.182 434 A HN 1.073 nan 8.150 nan 0.000 0.501 435 R N 1.214 121.277 120.500 -0.729 0.000 2.248 435 R HA 0.451 4.791 4.340 0.000 0.000 0.328 435 R C 0.104 176.294 176.300 -0.185 0.000 1.067 435 R CA 0.126 55.918 56.100 -0.513 0.000 0.924 435 R CB 0.218 30.387 30.300 -0.218 0.000 1.013 435 R HN 0.858 nan 8.270 nan 0.000 0.454 436 A N 7.376 130.122 122.820 -0.123 0.000 2.580 436 A HA 0.120 4.440 4.320 0.000 0.000 0.244 436 A C -1.855 175.765 177.584 0.060 0.000 1.045 436 A CA -0.850 51.159 52.037 -0.047 0.000 0.761 436 A CB -0.344 18.707 19.000 0.086 0.000 0.962 436 A HN 0.734 nan 8.150 nan 0.000 0.512 437 P HA 0.039 nan 4.420 nan 0.000 0.270 437 P C -0.444 176.935 177.300 0.132 0.000 1.223 437 P CA 0.098 63.181 63.100 -0.029 0.000 0.785 437 P CB 0.489 32.072 31.700 -0.196 0.000 0.923 438 H N 0.804 119.844 119.070 -0.050 0.000 2.511 438 H HA 0.595 5.151 4.556 0.000 0.000 0.346 438 H C -1.038 174.202 175.328 -0.147 0.000 1.128 438 H CA -0.258 55.705 56.048 -0.142 0.000 1.342 438 H CB 0.521 30.115 29.762 -0.280 0.000 1.470 438 H HN 0.646 nan 8.280 nan 0.000 0.546 439 A N 3.952 126.157 122.820 -1.025 0.000 2.573 439 A HA 0.262 4.582 4.320 0.000 0.000 0.299 439 A C -1.864 175.318 177.584 -0.671 0.000 1.060 439 A CA -0.829 50.709 52.037 -0.833 0.000 0.736 439 A CB 0.122 18.980 19.000 -0.238 0.000 1.280 439 A HN 0.693 nan 8.150 nan 0.000 0.401 440 W N 2.813 123.956 121.300 -0.262 0.000 2.304 440 W HA 0.468 5.128 4.660 0.000 0.000 0.313 440 W C 0.990 177.486 176.519 -0.038 0.000 1.323 440 W CA -0.088 57.219 57.345 -0.064 0.000 1.223 440 W CB 0.755 30.209 29.460 -0.009 0.000 1.237 440 W HN 0.623 nan 8.180 nan 0.000 0.535 441 L N 2.209 123.552 121.223 0.200 0.000 2.354 441 L HA 0.163 4.503 4.340 0.000 0.000 0.212 441 L C 0.551 177.503 176.870 0.135 0.000 1.091 441 L CA 0.971 55.879 54.840 0.113 0.000 0.828 441 L CB -0.101 41.983 42.059 0.042 0.000 0.973 441 L HN 0.327 nan 8.230 nan 0.000 0.461 442 T N -1.680 112.993 114.554 0.199 0.000 2.923 442 T HA 0.231 4.581 4.350 0.000 0.000 0.311 442 T C -2.267 172.521 174.700 0.147 0.000 1.183 442 T CA -0.822 61.357 62.100 0.132 0.000 1.020 442 T CB 2.256 71.180 68.868 0.094 0.000 1.165 442 T HN -0.340 nan 8.240 nan 0.000 0.482 443 P HA -0.087 nan 4.420 nan 0.000 0.224 443 P C 1.251 178.370 177.300 -0.301 0.000 1.142 443 P CA 1.087 64.034 63.100 -0.254 0.000 0.778 443 P CB 0.014 31.587 31.700 -0.211 0.000 0.764 444 T N -8.079 106.465 114.554 -0.016 0.000 3.010 444 T HA 0.163 4.514 4.350 0.000 0.000 0.257 444 T C 0.496 175.350 174.700 0.257 0.000 1.020 444 T CA 0.003 62.144 62.100 0.069 0.000 0.938 444 T CB -0.202 68.687 68.868 0.035 0.000 1.049 444 T HN -0.155 nan 8.240 nan 0.000 0.522 445 T N 2.122 116.891 114.554 0.358 0.000 2.847 445 T HA 0.600 4.950 4.350 0.000 0.000 0.291 445 T C -0.700 174.173 174.700 0.287 0.000 0.998 445 T CA -0.537 61.730 62.100 0.277 0.000 0.967 445 T CB 1.705 70.646 68.868 0.122 0.000 0.954 445 T HN 0.254 nan 8.240 nan 0.000 0.441 446 S N 1.778 117.522 115.700 0.074 0.000 2.585 446 S HA 0.311 4.781 4.470 0.000 0.000 0.277 446 S C 1.844 176.330 174.600 -0.190 0.000 1.241 446 S CA -0.229 57.857 58.200 -0.190 0.000 1.041 446 S CB 0.820 63.796 63.200 -0.374 0.000 0.987 446 S HN 0.829 nan 8.310 nan 0.000 0.512 447 T N 3.272 117.706 114.554 -0.201 0.000 2.778 447 T HA -0.145 4.205 4.350 0.000 0.000 0.269 447 T C 1.698 176.039 174.700 -0.599 0.000 1.050 447 T CA 1.113 63.035 62.100 -0.297 0.000 1.137 447 T CB -0.453 68.365 68.868 -0.084 0.000 0.860 447 T HN 0.447 nan 8.240 nan 0.000 0.468 448 L N 2.056 123.092 121.223 -0.312 0.000 2.127 448 L HA -0.053 4.287 4.340 0.000 0.000 0.211 448 L C 1.842 178.487 176.870 -0.376 0.000 1.089 448 L CA 1.623 56.305 54.840 -0.263 0.000 0.757 448 L CB -0.829 41.156 42.059 -0.123 0.000 0.899 448 L HN 0.251 nan 8.230 nan 0.000 0.434 449 D N -1.303 118.899 120.400 -0.329 0.000 2.348 449 D HA -0.075 4.565 4.640 0.000 0.000 0.216 449 D C 2.218 178.352 176.300 -0.277 0.000 0.970 449 D CA 0.657 54.518 54.000 -0.231 0.000 0.889 449 D CB 0.035 40.761 40.800 -0.123 0.000 0.912 449 D HN 0.329 nan 8.370 nan 0.000 0.524 450 L N -0.498 120.411 121.223 -0.524 0.000 2.341 450 L HA 0.052 4.392 4.340 0.000 0.000 0.214 450 L C 0.302 177.050 176.870 -0.203 0.000 1.115 450 L CA 0.267 54.870 54.840 -0.395 0.000 0.820 450 L CB -0.112 41.666 42.059 -0.469 0.000 0.944 450 L HN -0.126 nan 8.230 nan 0.000 0.452 451 F N -0.474 119.446 119.950 -0.050 0.000 2.378 451 F HA 0.625 5.152 4.527 0.000 0.000 0.325 451 F C 1.240 176.990 175.800 -0.083 0.000 1.097 451 F CA -0.761 57.196 58.000 -0.072 0.000 1.079 451 F CB 0.537 39.495 39.000 -0.070 0.000 1.240 451 F HN -0.057 nan 8.300 nan 0.000 0.519 452 G N 0.675 109.539 108.800 0.106 0.000 3.033 452 G HA2 -0.169 3.791 3.960 0.000 0.000 0.196 452 G HA3 -0.169 3.791 3.960 0.000 0.000 0.196 452 G C 1.210 176.144 174.900 0.056 0.000 1.078 452 G CA -0.203 44.916 45.100 0.031 0.000 0.805 452 G HN 0.523 nan 8.290 nan 0.000 0.472 453 R N 0.682 121.225 120.500 0.071 0.000 2.060 453 R HA 0.462 4.802 4.340 0.000 0.000 0.206 453 R C 1.986 178.332 176.300 0.077 0.000 1.226 453 R CA 0.987 57.146 56.100 0.098 0.000 1.002 453 R CB -0.596 29.758 30.300 0.090 0.000 0.791 453 R HN 0.420 nan 8.270 nan 0.000 0.489 454 G N -0.067 108.760 108.800 0.045 0.000 2.940 454 G HA2 0.384 4.344 3.960 0.000 0.000 0.164 454 G HA3 0.384 4.344 3.960 0.000 0.000 0.164 454 G C -0.737 174.123 174.900 -0.067 0.000 1.326 454 G CA -0.726 44.394 45.100 0.033 0.000 1.020 454 G HN 0.057 nan 8.290 nan 0.000 0.586 455 F N -0.949 118.908 119.950 -0.156 0.000 2.370 455 F HA 0.570 5.097 4.527 0.000 0.000 0.324 455 F C 0.365 176.045 175.800 -0.200 0.000 1.116 455 F CA -0.049 57.838 58.000 -0.189 0.000 1.123 455 F CB 2.012 40.866 39.000 -0.243 0.000 1.238 455 F HN 0.020 nan 8.300 nan 0.000 0.536 456 V N 3.267 123.206 119.914 0.041 0.000 2.733 456 V HA 0.351 4.471 4.120 0.000 0.000 0.306 456 V C -1.399 174.689 176.094 -0.010 0.000 1.084 456 V CA -0.796 61.511 62.300 0.012 0.000 0.905 456 V CB 2.126 34.049 31.823 0.166 0.000 1.010 456 V HN 0.455 nan 8.190 nan 0.000 0.424 457 L N 5.909 127.086 121.223 -0.077 0.000 2.294 457 L HA 0.609 4.949 4.340 0.000 0.000 0.283 457 L C -0.809 176.004 176.870 -0.095 0.000 1.015 457 L CA 0.115 54.911 54.840 -0.073 0.000 0.831 457 L CB 1.076 43.038 42.059 -0.160 0.000 1.217 457 L HN 0.559 nan 8.230 nan 0.000 0.420 458 L N 4.127 125.291 121.223 -0.099 0.000 2.292 458 L HA 0.514 4.854 4.340 0.000 0.000 0.284 458 L C -0.096 176.554 176.870 -0.367 0.000 1.065 458 L CA -0.215 54.429 54.840 -0.325 0.000 0.806 458 L CB 1.463 43.225 42.059 -0.495 0.000 1.175 458 L HN 0.621 nan 8.230 nan 0.000 0.431 459 S N 2.838 118.285 115.700 -0.422 0.000 2.640 459 S HA 0.354 4.824 4.470 0.000 0.000 0.320 459 S C 0.326 174.625 174.600 -0.502 0.000 1.097 459 S CA -0.556 57.516 58.200 -0.214 0.000 1.092 459 S CB 0.936 64.163 63.200 0.045 0.000 0.988 459 S HN 0.376 nan 8.310 nan 0.000 0.470 460 F N 1.750 121.519 119.950 -0.302 0.000 2.416 460 F HA 0.227 4.754 4.527 0.000 0.000 0.296 460 F C 1.933 177.553 175.800 -0.300 0.000 1.099 460 F CA 0.640 58.370 58.000 -0.451 0.000 1.427 460 F CB -0.140 38.277 39.000 -0.972 0.000 1.079 460 F HN 0.676 nan 8.300 nan 0.000 0.536 461 G N -1.330 107.425 108.800 -0.074 0.000 3.110 461 G HA2 0.141 4.101 3.960 0.000 0.000 0.207 461 G HA3 0.141 4.101 3.960 0.000 0.000 0.207 461 G C -0.078 174.849 174.900 0.046 0.000 1.841 461 G CA 0.083 45.212 45.100 0.049 0.000 0.751 461 G HN -0.014 nan 8.290 nan 0.000 0.771 462 T N 0.395 114.982 114.554 0.055 0.000 2.906 462 T HA 0.303 4.653 4.350 0.000 0.000 0.320 462 T C 1.514 176.294 174.700 0.133 0.000 1.088 462 T CA 1.121 63.278 62.100 0.094 0.000 1.120 462 T CB 0.583 69.515 68.868 0.106 0.000 1.000 462 T HN 0.632 nan 8.240 nan 0.000 0.550 463 T N 0.610 115.230 114.554 0.110 0.000 3.176 463 T HA 0.235 4.585 4.350 0.000 0.000 0.263 463 T C 0.174 174.921 174.700 0.079 0.000 1.021 463 T CA -0.541 61.609 62.100 0.084 0.000 0.905 463 T CB -0.097 68.797 68.868 0.042 0.000 1.057 463 T HN 0.552 nan 8.240 nan 0.000 0.558 464 D N 1.391 121.864 120.400 0.121 0.000 2.401 464 D HA 0.442 5.082 4.640 0.000 0.000 0.254 464 D C 1.479 177.832 176.300 0.089 0.000 1.192 464 D CA 1.647 55.709 54.000 0.103 0.000 0.885 464 D CB -0.037 40.836 40.800 0.123 0.000 1.147 464 D HN 0.401 nan 8.370 nan 0.000 0.478 465 G N 2.103 110.922 108.800 0.031 0.000 2.179 465 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 465 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 465 G C 1.223 176.082 174.900 -0.069 0.000 0.977 465 G CA 0.281 45.377 45.100 -0.006 0.000 0.641 465 G HN 0.491 nan 8.290 nan 0.000 0.533 466 V N 0.273 120.137 119.914 -0.085 0.000 2.515 466 V HA -0.082 4.038 4.120 0.000 0.000 0.250 466 V C 2.465 178.503 176.094 -0.093 0.000 1.058 466 V CA 2.601 64.821 62.300 -0.133 0.000 1.064 466 V CB -0.316 31.433 31.823 -0.124 0.000 0.675 466 V HN 0.583 nan 8.190 nan 0.000 0.461 467 E N 0.285 120.449 120.200 -0.060 0.000 2.118 467 E HA -0.225 4.125 4.350 0.000 0.000 0.195 467 E C 2.350 178.922 176.600 -0.047 0.000 0.992 467 E CA 1.323 57.694 56.400 -0.048 0.000 0.804 467 E CB -0.263 29.417 29.700 -0.032 0.000 0.741 467 E HN 0.614 nan 8.360 nan 0.000 0.458 468 A N 0.509 123.299 122.820 -0.049 0.000 1.902 468 A HA -0.161 4.159 4.320 0.000 0.000 0.217 468 A C 2.424 179.979 177.584 -0.049 0.000 1.181 468 A CA 1.291 53.298 52.037 -0.049 0.000 0.623 468 A CB -0.574 18.395 19.000 -0.051 0.000 0.818 468 A HN 0.143 nan 8.150 nan 0.000 0.443 469 V N -0.353 119.526 119.914 -0.059 0.000 2.358 469 V HA -0.224 3.896 4.120 0.000 0.000 0.246 469 V C 2.712 178.843 176.094 0.062 0.000 1.047 469 V CA 2.422 64.715 62.300 -0.012 0.000 1.035 469 V CB -1.424 30.349 31.823 -0.084 0.000 0.658 469 V HN 0.593 nan 8.190 nan 0.000 0.452 470 T N 0.078 114.616 114.554 -0.027 0.000 2.635 470 T HA -0.286 4.064 4.350 0.000 0.000 0.267 470 T C 2.105 176.808 174.700 0.004 0.000 1.040 470 T CA 2.147 64.225 62.100 -0.036 0.000 1.156 470 T CB -0.319 68.511 68.868 -0.062 0.000 0.863 470 T HN 0.317 nan 8.240 nan 0.000 0.430 471 R N 1.883 122.372 120.500 -0.018 0.000 2.083 471 R HA 0.029 4.369 4.340 0.000 0.000 0.237 471 R C 2.398 178.673 176.300 -0.043 0.000 1.137 471 R CA 1.968 58.048 56.100 -0.035 0.000 0.951 471 R CB -1.211 29.064 30.300 -0.042 0.000 0.851 471 R HN 0.343 nan 8.270 nan 0.000 0.434 472 A N -0.128 122.668 122.820 -0.040 0.000 1.869 472 A HA -0.191 4.129 4.320 0.000 0.000 0.218 472 A C 2.241 179.724 177.584 -0.169 0.000 1.203 472 A CA 1.934 53.902 52.037 -0.115 0.000 0.638 472 A CB -1.098 17.812 19.000 -0.150 0.000 0.831 472 A HN 0.404 nan 8.150 nan 0.000 0.450 473 F N 0.060 119.892 119.950 -0.196 0.000 2.095 473 F HA -0.122 4.405 4.527 0.000 0.000 0.298 473 F C 2.869 178.542 175.800 -0.211 0.000 1.104 473 F CA 1.134 58.998 58.000 -0.228 0.000 1.232 473 F CB -0.753 38.090 39.000 -0.261 0.000 0.987 473 F HN 0.277 nan 8.300 nan 0.000 0.475 474 A N 0.223 123.044 122.820 0.002 0.000 1.903 474 A HA -0.311 4.009 4.320 0.000 0.000 0.219 474 A C 1.892 179.328 177.584 -0.248 0.000 1.191 474 A CA 2.492 54.467 52.037 -0.103 0.000 0.638 474 A CB -1.179 17.773 19.000 -0.081 0.000 0.823 474 A HN 0.372 nan 8.150 nan 0.000 0.451 475 D N -0.921 119.353 120.400 -0.210 0.000 2.106 475 D HA -0.129 4.511 4.640 0.000 0.000 0.191 475 D C 1.919 178.036 176.300 -0.305 0.000 0.997 475 D CA 1.488 55.339 54.000 -0.248 0.000 0.834 475 D CB -0.204 40.509 40.800 -0.146 0.000 0.956 475 D HN 0.322 nan 8.370 nan 0.000 0.448 476 R N -0.689 119.706 120.500 -0.174 0.000 2.319 476 R HA 0.119 4.459 4.340 0.000 0.000 0.204 476 R C -0.285 176.107 176.300 0.153 0.000 0.954 476 R CA 0.120 56.222 56.100 0.003 0.000 1.066 476 R CB -0.577 29.710 30.300 -0.022 0.000 0.991 476 R HN 0.347 nan 8.270 nan 0.000 0.486 477 H N -3.054 116.026 119.070 0.015 0.000 2.839 477 H HA -0.130 4.426 4.556 0.000 0.000 0.298 477 H C -0.979 174.310 175.328 -0.065 0.000 1.224 477 H CA 0.478 56.540 56.048 0.024 0.000 1.144 477 H CB -2.057 27.761 29.762 0.093 0.000 1.372 477 H HN -0.082 nan 8.280 nan 0.000 0.408 478 V N 2.278 122.135 119.914 -0.095 0.000 2.383 478 V HA 0.267 4.388 4.120 0.000 0.000 0.275 478 V C -1.536 174.382 176.094 -0.293 0.000 1.036 478 V CA -1.604 60.444 62.300 -0.420 0.000 0.889 478 V CB 1.416 33.073 31.823 -0.277 0.000 0.985 478 V HN 0.116 nan 8.190 nan 0.000 0.459 479 P HA 0.185 nan 4.420 nan 0.000 0.267 479 P C -0.943 176.266 177.300 -0.152 0.000 1.209 479 P CA -0.023 62.957 63.100 -0.199 0.000 0.763 479 P CB 1.345 32.964 31.700 -0.135 0.000 0.816 480 L N 2.787 123.895 121.223 -0.192 0.000 2.434 480 L HA 0.551 4.891 4.340 0.000 0.000 0.260 480 L C -0.954 175.786 176.870 -0.215 0.000 0.983 480 L CA -0.515 54.126 54.840 -0.332 0.000 0.820 480 L CB 2.470 44.063 42.059 -0.777 0.000 1.361 480 L HN 0.304 nan 8.230 nan 0.000 0.410 481 E N 1.370 121.459 120.200 -0.185 0.000 2.293 481 E HA 0.625 4.975 4.350 0.000 0.000 0.270 481 E C -1.291 175.226 176.600 -0.138 0.000 0.879 481 E CA -0.763 55.563 56.400 -0.123 0.000 0.756 481 E CB 2.194 31.857 29.700 -0.063 0.000 1.208 481 E HN 0.689 nan 8.360 nan 0.000 0.428 482 T N -1.218 113.261 114.554 -0.126 0.000 2.792 482 T HA 0.584 4.934 4.350 0.000 0.000 0.280 482 T C -0.471 174.161 174.700 -0.113 0.000 0.990 482 T CA -0.687 61.335 62.100 -0.131 0.000 0.960 482 T CB 0.938 69.724 68.868 -0.136 0.000 0.939 482 T HN 0.108 nan 8.240 nan 0.000 0.439 483 V N 3.426 123.261 119.914 -0.132 0.000 2.487 483 V HA 0.503 4.623 4.120 0.000 0.000 0.298 483 V C 0.190 176.158 176.094 -0.211 0.000 1.028 483 V CA -0.789 61.423 62.300 -0.147 0.000 0.860 483 V CB 2.058 33.794 31.823 -0.145 0.000 0.991 483 V HN 1.091 nan 8.190 nan 0.000 0.427 484 T N 3.798 118.231 114.554 -0.201 0.000 2.832 484 T HA 0.245 4.596 4.350 0.000 0.000 0.313 484 T C -0.200 174.264 174.700 -0.394 0.000 1.035 484 T CA -0.107 61.821 62.100 -0.287 0.000 0.950 484 T CB 0.581 69.327 68.868 -0.204 0.000 0.984 484 T HN 0.777 nan 8.240 nan 0.000 0.486 485 C N 4.125 123.142 119.300 -0.471 0.000 2.398 485 C HA 0.400 4.860 4.460 0.000 0.000 0.364 485 C C 0.789 175.534 174.990 -0.408 0.000 1.219 485 C CA -0.448 58.355 59.018 -0.359 0.000 2.312 485 C CB -0.171 27.387 27.740 -0.304 0.000 2.428 485 C HN 0.922 nan 8.230 nan 0.000 0.564 486 H N 2.799 121.898 119.070 0.049 0.000 2.575 486 H HA 0.324 4.880 4.556 0.000 0.000 0.256 486 H C 0.192 175.580 175.328 0.100 0.000 1.162 486 H CA 0.220 56.315 56.048 0.078 0.000 0.969 486 H CB 0.211 29.999 29.762 0.044 0.000 1.796 486 H HN 0.716 nan 8.280 nan 0.000 0.607 487 A N 2.769 125.711 122.820 0.205 0.000 2.280 487 A HA 0.345 4.665 4.320 0.000 0.000 0.320 487 A C -1.286 176.379 177.584 0.136 0.000 1.366 487 A CA -1.321 50.806 52.037 0.150 0.000 0.938 487 A CB 1.017 20.084 19.000 0.113 0.000 1.157 487 A HN 0.001 nan 8.150 nan 0.000 0.536 488 P HA -0.198 nan 4.420 nan 0.000 0.216 488 P C 1.389 178.690 177.300 0.002 0.000 1.150 488 P CA 2.122 65.263 63.100 0.067 0.000 0.843 488 P CB 0.206 31.925 31.700 0.032 0.000 0.787 489 E N 0.733 120.936 120.200 0.004 0.000 2.058 489 E HA -0.172 4.178 4.350 0.000 0.000 0.194 489 E C 2.074 178.648 176.600 -0.044 0.000 0.997 489 E CA 1.654 58.043 56.400 -0.019 0.000 0.801 489 E CB -1.526 28.175 29.700 0.002 0.000 0.746 489 E HN 0.334 nan 8.360 nan 0.000 0.450 490 I N -0.125 120.423 120.570 -0.037 0.000 2.439 490 I HA -0.133 4.037 4.170 0.000 0.000 0.251 490 I C 2.714 178.601 176.117 -0.384 0.000 1.139 490 I CA 1.113 62.365 61.300 -0.080 0.000 1.438 490 I CB -0.276 37.732 38.000 0.012 0.000 1.085 490 I HN 0.378 nan 8.210 nan 0.000 0.427 491 H N 1.993 120.696 119.070 -0.612 0.000 2.352 491 H HA -0.130 4.426 4.556 0.000 0.000 0.299 491 H C 2.152 177.138 175.328 -0.571 0.000 1.097 491 H CA 1.820 57.270 56.048 -0.996 0.000 1.311 491 H CB 0.023 29.549 29.762 -0.392 0.000 1.377 491 H HN 0.302 nan 8.280 nan 0.000 0.504 492 A N 0.880 123.601 122.820 -0.166 0.000 1.873 492 A HA -0.108 4.212 4.320 0.000 0.000 0.215 492 A C 2.621 180.134 177.584 -0.119 0.000 1.186 492 A CA 1.418 53.363 52.037 -0.153 0.000 0.616 492 A CB -0.994 17.925 19.000 -0.134 0.000 0.823 492 A HN 0.419 nan 8.150 nan 0.000 0.442 493 L N -1.597 119.572 121.223 -0.090 0.000 2.042 493 L HA -0.177 4.163 4.340 0.000 0.000 0.210 493 L C 2.196 179.016 176.870 -0.084 0.000 1.076 493 L CA 2.017 56.818 54.840 -0.065 0.000 0.749 493 L CB -0.737 41.335 42.059 0.022 0.000 0.893 493 L HN 0.467 nan 8.230 nan 0.000 0.432 494 Y N -0.208 119.939 120.300 -0.254 0.000 2.519 494 Y HA -0.046 4.504 4.550 0.000 0.000 0.287 494 Y C 1.851 177.669 175.900 -0.136 0.000 1.128 494 Y CA 0.594 58.593 58.100 -0.169 0.000 1.282 494 Y CB -0.001 38.394 38.460 -0.108 0.000 1.027 494 Y HN 0.359 nan 8.280 nan 0.000 0.551 495 E N -1.616 118.569 120.200 -0.024 0.000 4.120 495 E HA -0.288 4.062 4.350 0.000 0.000 0.191 495 E C 0.397 177.021 176.600 0.040 0.000 1.227 495 E CA 1.437 57.819 56.400 -0.029 0.000 2.327 495 E CB -0.980 28.672 29.700 -0.080 0.000 1.820 495 E HN 0.093 nan 8.360 nan 0.000 0.383 496 R N 0.401 120.915 120.500 0.024 0.000 2.801 496 R HA 0.383 4.723 4.340 0.000 0.000 0.273 496 R C 1.139 177.504 176.300 0.109 0.000 1.080 496 R CA 0.847 56.954 56.100 0.012 0.000 1.197 496 R CB -0.020 30.218 30.300 -0.103 0.000 1.109 496 R HN 0.486 nan 8.270 nan 0.000 0.535 497 A N 1.002 123.827 122.820 0.009 0.000 2.030 497 A HA -0.001 4.319 4.320 0.000 0.000 0.215 497 A C 0.090 177.594 177.584 -0.134 0.000 1.164 497 A CA 0.896 52.870 52.037 -0.105 0.000 0.697 497 A CB -0.017 18.820 19.000 -0.272 0.000 0.827 497 A HN 0.498 nan 8.150 nan 0.000 0.457 498 H N -0.862 118.305 119.070 0.161 0.000 2.658 498 H HA 0.551 5.107 4.556 0.000 0.000 0.337 498 H C -1.482 174.030 175.328 0.306 0.000 1.009 498 H CA -0.808 55.391 56.048 0.252 0.000 1.231 498 H CB 1.482 31.524 29.762 0.467 0.000 1.508 498 H HN -0.039 nan 8.280 nan 0.000 0.517 499 V N 4.752 124.890 119.914 0.374 0.000 2.483 499 V HA 0.153 4.273 4.120 0.000 0.000 0.297 499 V C -0.293 175.983 176.094 0.304 0.000 1.027 499 V CA -0.818 61.686 62.300 0.340 0.000 0.855 499 V CB 2.303 34.369 31.823 0.405 0.000 0.995 499 V HN 0.418 nan 8.190 nan 0.000 0.424 500 L N 7.303 128.761 121.223 0.392 0.000 2.264 500 L HA 0.616 4.956 4.340 0.000 0.000 0.287 500 L C -0.241 176.747 176.870 0.196 0.000 1.039 500 L CA 0.232 55.247 54.840 0.291 0.000 0.829 500 L CB 1.226 43.516 42.059 0.384 0.000 1.211 500 L HN 0.475 nan 8.230 nan 0.000 0.427 501 V N 5.419 125.346 119.914 0.022 0.000 2.644 501 V HA 0.542 4.662 4.120 0.000 0.000 0.295 501 V C 0.682 176.653 176.094 -0.205 0.000 1.053 501 V CA -0.795 61.378 62.300 -0.212 0.000 0.987 501 V CB 1.279 32.642 31.823 -0.767 0.000 1.006 501 V HN 0.707 nan 8.190 nan 0.000 0.472 502 R N 3.348 123.633 120.500 -0.358 0.000 2.549 502 R HA 0.320 4.660 4.340 0.000 0.000 0.259 502 R C -1.844 173.926 176.300 -0.883 0.000 1.095 502 R CA -1.668 53.941 56.100 -0.819 0.000 1.148 502 R CB -0.001 29.871 30.300 -0.715 0.000 1.181 502 R HN 0.376 nan 8.270 nan 0.000 0.571 503 P HA -0.155 nan 4.420 nan 0.000 0.222 503 P C 0.329 177.200 177.300 -0.714 0.000 1.147 503 P CA 1.253 63.864 63.100 -0.815 0.000 0.790 503 P CB 0.074 31.330 31.700 -0.739 0.000 0.780 504 D N -1.768 118.030 120.400 -1.004 0.000 2.340 504 D HA 0.039 4.679 4.640 0.000 0.000 0.220 504 D C 1.418 177.570 176.300 -0.246 0.000 1.039 504 D CA 0.813 54.484 54.000 -0.548 0.000 0.866 504 D CB -0.698 39.827 40.800 -0.458 0.000 0.913 504 D HN 0.212 nan 8.370 nan 0.000 0.523 505 G N -0.124 108.525 108.800 -0.252 0.000 2.175 505 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 505 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 505 G C -0.015 174.864 174.900 -0.036 0.000 0.982 505 G CA -0.008 45.024 45.100 -0.114 0.000 0.641 505 G HN 0.589 nan 8.290 nan 0.000 0.527 506 H N -0.264 118.682 119.070 -0.207 0.000 2.467 506 H HA 0.477 5.033 4.556 0.000 0.000 0.331 506 H C 0.317 175.574 175.328 -0.119 0.000 1.120 506 H CA -0.887 55.091 56.048 -0.117 0.000 1.270 506 H CB 2.015 31.792 29.762 0.026 0.000 1.466 506 H HN 0.077 nan 8.280 nan 0.000 0.504 507 V N 1.993 121.912 119.914 0.007 0.000 2.655 507 V HA 0.001 4.121 4.120 0.000 0.000 0.300 507 V C 0.928 177.113 176.094 0.151 0.000 1.044 507 V CA 0.626 62.949 62.300 0.038 0.000 1.095 507 V CB 1.013 32.835 31.823 -0.002 0.000 0.952 507 V HN 0.976 nan 8.190 nan 0.000 0.485 508 A N 3.907 126.866 122.820 0.232 0.000 2.192 508 A HA 0.380 4.700 4.320 0.000 0.000 0.208 508 A C 0.110 177.925 177.584 0.385 0.000 1.220 508 A CA 0.004 52.234 52.037 0.322 0.000 0.900 508 A CB 0.302 19.555 19.000 0.421 0.000 0.937 508 A HN 0.910 nan 8.150 nan 0.000 0.487 509 W N 0.197 121.580 121.300 0.139 0.000 3.419 509 W HA 0.555 5.215 4.660 0.000 0.000 0.298 509 W C -1.541 175.048 176.519 0.117 0.000 1.260 509 W CA -0.569 56.849 57.345 0.121 0.000 1.199 509 W CB 0.823 30.360 29.460 0.128 0.000 1.349 509 W HN 0.290 nan 8.180 nan 0.000 0.557 510 R N 3.873 123.705 120.500 -1.113 0.000 2.561 510 R HA 0.864 5.204 4.340 0.000 0.000 0.266 510 R C -1.072 174.260 176.300 -1.613 0.000 1.091 510 R CA -0.767 54.656 56.100 -1.127 0.000 0.927 510 R CB 1.581 31.666 30.300 -0.358 0.000 1.240 510 R HN 1.057 nan 8.270 nan 0.000 0.449 511 G N 0.919 108.938 108.800 -1.302 0.000 2.616 511 G HA2 0.205 4.165 3.960 0.000 0.000 0.294 511 G HA3 0.205 4.165 3.960 0.000 0.000 0.294 511 G C -0.822 174.012 174.900 -0.108 0.000 1.489 511 G CA -0.689 44.075 45.100 -0.560 0.000 0.836 511 G HN 0.532 nan 8.290 nan 0.000 0.527 512 D N -0.295 120.007 120.400 -0.164 0.000 2.348 512 D HA 0.015 4.655 4.640 0.000 0.000 0.216 512 D C -0.035 176.008 176.300 -0.429 0.000 0.970 512 D CA 1.138 54.937 54.000 -0.335 0.000 0.889 512 D CB 0.182 40.695 40.800 -0.478 0.000 0.912 512 D HN 0.353 nan 8.370 nan 0.000 0.524 513 H N -0.320 118.915 119.070 0.274 0.000 2.759 513 H HA 0.307 4.863 4.556 0.000 0.000 0.354 513 H C 0.179 175.798 175.328 0.486 0.000 1.074 513 H CA -0.632 55.611 56.048 0.326 0.000 1.226 513 H CB 1.330 31.213 29.762 0.201 0.000 1.648 513 H HN -0.146 nan 8.280 nan 0.000 0.529 514 L N 4.216 125.736 121.223 0.495 0.000 2.467 514 L HA 0.161 4.501 4.340 0.000 0.000 0.270 514 L C -1.362 175.574 176.870 0.109 0.000 1.205 514 L CA -1.427 53.516 54.840 0.172 0.000 0.828 514 L CB 0.024 42.065 42.059 -0.030 0.000 1.101 514 L HN 0.410 nan 8.230 nan 0.000 0.479 515 P HA 0.084 nan 4.420 nan 0.000 0.272 515 P C -0.202 177.079 177.300 -0.032 0.000 1.240 515 P CA -0.368 62.724 63.100 -0.013 0.000 0.791 515 P CB 1.101 32.731 31.700 -0.117 0.000 0.978 516 A N 0.942 123.759 122.820 -0.005 0.000 1.878 516 A HA 0.106 4.426 4.320 0.000 0.000 0.213 516 A C 1.666 179.226 177.584 -0.041 0.000 1.192 516 A CA 1.300 53.328 52.037 -0.016 0.000 0.619 516 A CB -1.451 17.550 19.000 0.001 0.000 0.837 516 A HN 0.639 nan 8.150 nan 0.000 0.446 517 E N 0.774 120.949 120.200 -0.041 0.000 2.148 517 E HA 0.528 4.878 4.350 0.000 0.000 0.308 517 E C 0.811 177.354 176.600 -0.095 0.000 1.278 517 E CA -0.162 56.204 56.400 -0.056 0.000 1.368 517 E CB -1.237 28.441 29.700 -0.037 0.000 1.229 517 E HN 0.521 nan 8.360 nan 0.000 0.494 518 L N 0.465 121.617 121.223 -0.119 0.000 2.021 518 L HA -0.201 4.139 4.340 0.000 0.000 0.215 518 L C 2.979 179.727 176.870 -0.203 0.000 1.074 518 L CA 1.846 56.582 54.840 -0.174 0.000 0.760 518 L CB -0.682 41.282 42.059 -0.159 0.000 0.889 518 L HN 0.628 nan 8.230 nan 0.000 0.433 519 G N -0.190 108.513 108.800 -0.162 0.000 2.513 519 G HA2 -0.267 3.694 3.960 0.000 0.000 0.219 519 G HA3 -0.267 3.694 3.960 0.000 0.000 0.219 519 G C 1.541 176.348 174.900 -0.155 0.000 1.160 519 G CA 0.996 45.996 45.100 -0.166 0.000 0.767 519 G HN 0.517 nan 8.290 nan 0.000 0.571 520 G N 0.960 109.693 108.800 -0.112 0.000 2.514 520 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 520 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 520 G C 1.718 176.555 174.900 -0.105 0.000 1.198 520 G CA 1.278 46.329 45.100 -0.082 0.000 0.780 520 G HN 0.478 nan 8.290 nan 0.000 0.565 521 L N 0.931 122.070 121.223 -0.141 0.000 1.965 521 L HA -0.196 4.144 4.340 0.000 0.000 0.226 521 L C 2.965 179.709 176.870 -0.210 0.000 1.083 521 L CA 2.271 57.010 54.840 -0.169 0.000 0.790 521 L CB -1.092 40.807 42.059 -0.265 0.000 0.898 521 L HN 0.124 nan 8.230 nan 0.000 0.439 522 V N 0.227 119.909 119.914 -0.386 0.000 2.231 522 V HA -0.405 3.715 4.120 0.000 0.000 0.250 522 V C 2.272 178.211 176.094 -0.258 0.000 1.058 522 V CA 2.359 64.324 62.300 -0.558 0.000 1.022 522 V CB -1.054 30.288 31.823 -0.802 0.000 0.640 522 V HN 0.548 nan 8.190 nan 0.000 0.445 523 D N -0.898 119.403 120.400 -0.166 0.000 2.311 523 D HA -0.159 4.481 4.640 0.000 0.000 0.212 523 D C 2.073 178.376 176.300 0.005 0.000 0.972 523 D CA 1.173 55.141 54.000 -0.053 0.000 0.887 523 D CB -0.149 40.625 40.800 -0.043 0.000 0.915 523 D HN 0.528 nan 8.370 nan 0.000 0.497 524 K N 0.462 120.863 120.400 0.000 0.000 2.078 524 K HA -0.065 4.255 4.320 0.000 0.000 0.203 524 K C 1.961 178.638 176.600 0.129 0.000 1.043 524 K CA 0.932 57.255 56.287 0.060 0.000 0.960 524 K CB 0.136 32.672 32.500 0.060 0.000 0.761 524 K HN 0.115 nan 8.250 nan 0.000 0.448 525 V N 0.867 120.871 119.914 0.149 0.000 2.720 525 V HA -0.142 3.978 4.120 0.000 0.000 0.256 525 V C 1.877 178.253 176.094 0.470 0.000 1.082 525 V CA 1.713 64.203 62.300 0.317 0.000 1.101 525 V CB -1.017 31.013 31.823 0.344 0.000 0.693 525 V HN 0.389 nan 8.190 nan 0.000 0.479 526 R N 1.020 121.733 120.500 0.355 0.000 2.426 526 R HA 0.449 4.789 4.340 0.000 0.000 0.263 526 R C 1.347 177.790 176.300 0.239 0.000 0.961 526 R CA 0.474 56.857 56.100 0.473 0.000 1.086 526 R CB -0.243 30.380 30.300 0.538 0.000 1.186 526 R HN 0.688 nan 8.270 nan 0.000 0.537 527 G N 0.241 109.147 108.800 0.176 0.000 2.198 527 G HA2 -0.368 3.592 3.960 0.000 0.000 0.260 527 G HA3 -0.368 3.592 3.960 0.000 0.000 0.260 527 G C 0.724 175.661 174.900 0.063 0.000 1.025 527 G CA 0.326 45.479 45.100 0.090 0.000 0.769 527 G HN 0.564 nan 8.290 nan 0.000 0.507 528 A N -0.698 122.165 122.820 0.073 0.000 1.956 528 A HA 0.770 5.090 4.320 0.000 0.000 0.212 528 A C 2.020 179.625 177.584 0.036 0.000 1.188 528 A CA 1.648 53.716 52.037 0.051 0.000 0.675 528 A CB -0.320 18.712 19.000 0.052 0.000 0.845 528 A HN 2.078 nan 8.150 nan 0.000 0.455 529 A N 0.000 122.842 122.820 0.037 0.000 2.254 529 A HA 0.000 4.320 4.320 0.000 0.000 0.244 529 A CA 0.000 52.055 52.037 0.029 0.000 0.836 529 A CB 0.000 19.019 19.000 0.032 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486