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 1g21_1_C DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NDPAVTQSKK CIISNKKSQP DATA SEQUENCE GLMTIRGCAY AGSKGVVWGP IKDMIHISHG PVGCGQYSRA GRRNYYIGTT DATA SEQUENCE GVNAFVTMNF TSDFQEKDIV FGGDKKLAKL IDEVETLFPL NKGISVQSEC DATA SEQUENCE PIGLIGDDIE SVSKVKGAEL SKTIVPVRCE GFRGVSQSLG HHIANDAVRD DATA SEQUENCE WVLGKRDEDT TFASTPYDVA IIGDYNIGGD AWSSRILLEE MGLRCVAQWS DATA SEQUENCE GDGSISEIEL TPKVKLNLVH CYRSMNYISR HMEEKYGIPW MEYNFFGPTK DATA SEQUENCE TIESLRAIAA KFDESIQKKC EEVIAKYKPE WEAVVAKYRP RLEGKRVMLY DATA SEQUENCE IGGLRPRHVI GAYEDLGMEV VGTGYEFAHN DDYDRTMKEM GDSTLLYDDV DATA SEQUENCE TGYEFEEFVK RIKPDLIGSG IKEKFIFQKM GIPFREMHSW DYSGPYHGFD DATA SEQUENCE GFAIFARDMD MTLNNPCWKK LQAPWE 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.590 174.600 -0.017 0.000 1.055 5 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 5 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 6 R N 1.876 122.368 120.500 -0.014 0.000 2.064 6 R HA 0.347 4.689 4.340 0.003 0.000 0.210 6 R C 1.432 177.721 176.300 -0.018 0.000 1.221 6 R CA 0.817 56.907 56.100 -0.017 0.000 1.055 6 R CB -0.956 29.336 30.300 -0.014 0.000 0.946 6 R HN 0.432 nan 8.270 nan 0.000 0.459 7 E N 0.659 120.851 120.200 -0.013 0.000 2.435 7 E HA -0.106 4.246 4.350 0.003 0.000 0.195 7 E C 1.768 178.361 176.600 -0.011 0.000 1.029 7 E CA 0.713 57.106 56.400 -0.012 0.000 0.865 7 E CB 0.234 29.930 29.700 -0.007 0.000 0.833 7 E HN 0.748 nan 8.360 nan 0.000 0.510 8 E N 1.405 121.599 120.200 -0.011 0.000 2.068 8 E HA -0.238 4.113 4.350 0.003 0.000 0.207 8 E C 2.038 178.628 176.600 -0.016 0.000 1.032 8 E CA 2.065 58.460 56.400 -0.009 0.000 0.839 8 E CB -0.083 29.611 29.700 -0.009 0.000 0.758 8 E HN 0.020 nan 8.360 nan 0.000 0.457 9 V N 1.704 121.595 119.914 -0.038 0.000 2.370 9 V HA -0.299 3.822 4.120 0.003 0.000 0.252 9 V C 2.229 178.297 176.094 -0.042 0.000 1.068 9 V CA 2.478 64.736 62.300 -0.069 0.000 1.061 9 V CB -0.781 30.982 31.823 -0.101 0.000 0.656 9 V HN 0.380 nan 8.190 nan 0.000 0.455 10 E N -0.032 120.154 120.200 -0.023 0.000 2.107 10 E HA -0.134 4.217 4.350 0.003 0.000 0.191 10 E C 2.266 178.873 176.600 0.011 0.000 0.982 10 E CA 1.407 57.803 56.400 -0.006 0.000 0.809 10 E CB -0.263 29.433 29.700 -0.007 0.000 0.756 10 E HN 0.503 nan 8.360 nan 0.000 0.459 11 S N 0.702 116.409 115.700 0.011 0.000 2.522 11 S HA -0.007 4.464 4.470 0.003 0.000 0.227 11 S C 1.681 176.304 174.600 0.039 0.000 0.986 11 S CA 0.188 58.401 58.200 0.021 0.000 0.929 11 S CB 0.069 63.278 63.200 0.015 0.000 0.769 11 S HN 0.109 nan 8.310 nan 0.000 0.529 12 L N 1.212 122.461 121.223 0.044 0.000 2.145 12 L HA 0.290 4.632 4.340 0.003 0.000 0.201 12 L C 1.768 178.731 176.870 0.156 0.000 1.075 12 L CA 1.314 56.208 54.840 0.090 0.000 0.773 12 L CB -0.333 41.760 42.059 0.057 0.000 0.936 12 L HN 0.211 nan 8.230 nan 0.000 0.451 13 I N -0.426 120.213 120.570 0.116 0.000 2.113 13 I HA -0.278 3.894 4.170 0.003 0.000 0.238 13 I C 2.173 178.368 176.117 0.130 0.000 1.070 13 I CA 1.286 62.691 61.300 0.175 0.000 1.332 13 I CB -0.410 37.644 38.000 0.091 0.000 1.044 13 I HN 0.369 nan 8.210 nan 0.000 0.402 14 Q N 0.226 120.068 119.800 0.070 0.000 2.436 14 Q HA -0.190 4.152 4.340 0.003 0.000 0.209 14 Q C 1.766 177.776 176.000 0.015 0.000 0.965 14 Q CA 0.814 56.638 55.803 0.036 0.000 0.910 14 Q CB -0.056 28.698 28.738 0.027 0.000 0.980 14 Q HN 0.598 nan 8.270 nan 0.000 0.491 15 E N 0.622 120.848 120.200 0.043 0.000 2.086 15 E HA -0.097 4.255 4.350 0.003 0.000 0.190 15 E C 1.919 178.541 176.600 0.037 0.000 0.975 15 E CA 0.515 56.938 56.400 0.037 0.000 0.813 15 E CB 0.355 30.089 29.700 0.057 0.000 0.768 15 E HN 0.069 nan 8.360 nan 0.000 0.457 16 V N 1.407 121.373 119.914 0.087 0.000 2.307 16 V HA -0.234 3.888 4.120 0.003 0.000 0.245 16 V C 2.376 178.308 176.094 -0.270 0.000 1.045 16 V CA 1.402 63.773 62.300 0.119 0.000 1.024 16 V CB -0.407 31.532 31.823 0.194 0.000 0.651 16 V HN 0.353 nan 8.190 nan 0.000 0.449 17 L N -0.421 120.641 121.223 -0.269 0.000 2.275 17 L HA -0.142 4.200 4.340 0.003 0.000 0.215 17 L C 2.457 179.059 176.870 -0.447 0.000 1.119 17 L CA 1.121 55.653 54.840 -0.513 0.000 0.790 17 L CB -0.716 41.299 42.059 -0.073 0.000 0.919 17 L HN 0.402 nan 8.230 nan 0.000 0.443 18 E N 0.256 120.311 120.200 -0.243 0.000 2.169 18 E HA -0.273 4.078 4.350 0.003 0.000 0.202 18 E C 2.176 178.659 176.600 -0.195 0.000 1.016 18 E CA 2.113 58.422 56.400 -0.152 0.000 0.817 18 E CB -0.135 29.520 29.700 -0.076 0.000 0.736 18 E HN 0.554 nan 8.360 nan 0.000 0.462 19 V N -1.461 118.235 119.914 -0.364 0.000 2.626 19 V HA -0.158 3.963 4.120 0.003 0.000 0.252 19 V C 1.091 177.089 176.094 -0.161 0.000 1.067 19 V CA 0.869 62.979 62.300 -0.317 0.000 1.081 19 V CB -1.043 30.448 31.823 -0.554 0.000 0.686 19 V HN 0.124 nan 8.190 nan 0.000 0.468 20 Y N 2.235 122.423 120.300 -0.188 0.000 2.650 20 Y HA 0.276 4.828 4.550 0.003 0.000 0.331 20 Y C -1.624 174.232 175.900 -0.073 0.000 1.165 20 Y CA -2.245 55.779 58.100 -0.128 0.000 1.473 20 Y CB -0.424 37.975 38.460 -0.102 0.000 1.224 20 Y HN 0.188 nan 8.280 nan 0.000 0.533 21 P HA -0.101 nan 4.420 nan 0.000 0.267 21 P C 0.578 177.907 177.300 0.048 0.000 1.201 21 P CA 0.293 63.421 63.100 0.047 0.000 0.775 21 P CB 0.653 32.367 31.700 0.023 0.000 0.854 22 E N 1.405 121.623 120.200 0.030 0.000 2.219 22 E HA -0.297 4.054 4.350 0.003 0.000 0.198 22 E C 1.690 178.303 176.600 0.021 0.000 0.998 22 E CA 1.391 57.807 56.400 0.027 0.000 0.818 22 E CB 0.028 29.738 29.700 0.016 0.000 0.741 22 E HN 0.359 nan 8.360 nan 0.000 0.477 23 K N 0.495 120.901 120.400 0.010 0.000 1.985 23 K HA -0.128 4.194 4.320 0.003 0.000 0.210 23 K C 1.959 178.557 176.600 -0.004 0.000 1.047 23 K CA 1.557 57.844 56.287 -0.001 0.000 0.932 23 K CB -0.241 32.253 32.500 -0.010 0.000 0.716 23 K HN 0.060 nan 8.250 nan 0.000 0.439 24 A N 1.221 124.028 122.820 -0.022 0.000 1.929 24 A HA -0.100 4.222 4.320 0.003 0.000 0.216 24 A C 2.206 179.794 177.584 0.006 0.000 1.176 24 A CA 1.355 53.353 52.037 -0.066 0.000 0.628 24 A CB -0.655 18.227 19.000 -0.197 0.000 0.816 24 A HN 0.472 nan 8.150 nan 0.000 0.444 25 R N 0.264 120.819 120.500 0.091 0.000 2.122 25 R HA -0.242 4.100 4.340 0.003 0.000 0.236 25 R C 2.097 178.464 176.300 0.113 0.000 1.129 25 R CA 2.334 58.535 56.100 0.168 0.000 0.925 25 R CB -0.401 29.968 30.300 0.114 0.000 0.850 25 R HN 0.502 nan 8.270 nan 0.000 0.431 26 K N 0.023 120.458 120.400 0.059 0.000 2.044 26 K HA -0.239 4.083 4.320 0.003 0.000 0.210 26 K C 1.939 178.556 176.600 0.029 0.000 1.049 26 K CA 2.102 58.410 56.287 0.035 0.000 0.927 26 K CB -0.418 32.091 32.500 0.014 0.000 0.713 26 K HN 0.370 nan 8.250 nan 0.000 0.443 27 D N 0.350 120.766 120.400 0.026 0.000 2.108 27 D HA -0.182 4.460 4.640 0.003 0.000 0.190 27 D C 2.048 178.384 176.300 0.061 0.000 0.995 27 D CA 1.411 55.422 54.000 0.018 0.000 0.834 27 D CB 0.192 41.014 40.800 0.036 0.000 0.967 27 D HN -0.030 nan 8.370 nan 0.000 0.446 28 R N 0.254 120.838 120.500 0.139 0.000 2.091 28 R HA -0.171 4.171 4.340 0.003 0.000 0.238 28 R C 2.038 178.462 176.300 0.207 0.000 1.136 28 R CA 1.386 57.630 56.100 0.240 0.000 0.959 28 R CB -1.775 28.678 30.300 0.255 0.000 0.856 28 R HN 0.501 nan 8.270 nan 0.000 0.437 29 N N 1.780 120.572 118.700 0.154 0.000 2.503 29 N HA -0.201 4.541 4.740 0.003 0.000 0.189 29 N C 0.742 176.280 175.510 0.047 0.000 1.048 29 N CA 1.548 54.662 53.050 0.107 0.000 0.905 29 N CB -0.016 38.515 38.487 0.073 0.000 0.951 29 N HN 0.365 nan 8.380 nan 0.000 0.446 30 K N -2.019 118.374 120.400 -0.012 0.000 2.353 30 K HA 0.120 4.442 4.320 0.003 0.000 0.195 30 K C 0.780 177.294 176.600 -0.143 0.000 1.031 30 K CA 0.009 56.234 56.287 -0.103 0.000 1.079 30 K CB 0.137 32.530 32.500 -0.178 0.000 0.857 30 K HN 0.274 nan 8.250 nan 0.000 0.535 31 H N 1.208 120.296 119.070 0.029 0.000 2.562 31 H HA 0.176 4.733 4.556 0.003 0.000 0.267 31 H C 0.289 175.638 175.328 0.036 0.000 0.959 31 H CA 0.437 56.500 56.048 0.026 0.000 1.204 31 H CB 0.384 30.192 29.762 0.076 0.000 1.430 31 H HN 0.121 nan 8.280 nan 0.000 0.545 32 L N -0.585 120.740 121.223 0.170 0.000 2.372 32 L HA 0.835 5.177 4.340 0.003 0.000 0.273 32 L C -0.507 176.385 176.870 0.036 0.000 0.989 32 L CA -1.014 53.906 54.840 0.133 0.000 0.841 32 L CB 2.140 44.351 42.059 0.253 0.000 1.225 32 L HN -0.181 nan 8.230 nan 0.000 0.414 33 A N 2.627 125.431 122.820 -0.027 0.000 2.515 33 A HA 0.828 5.150 4.320 0.003 0.000 0.296 33 A C -0.511 177.031 177.584 -0.070 0.000 1.094 33 A CA -0.715 51.292 52.037 -0.050 0.000 0.718 33 A CB 1.992 20.955 19.000 -0.061 0.000 1.307 33 A HN 0.421 nan 8.150 nan 0.000 0.408 34 V N 1.883 121.759 119.914 -0.064 0.000 2.572 34 V HA 0.091 4.213 4.120 0.003 0.000 0.291 34 V C 0.619 176.679 176.094 -0.058 0.000 1.039 34 V CA -0.082 62.179 62.300 -0.066 0.000 1.055 34 V CB 0.697 32.488 31.823 -0.054 0.000 0.969 34 V HN 0.888 nan 8.190 nan 0.000 0.482 35 N N 3.634 122.299 118.700 -0.058 0.000 2.408 35 N HA 0.062 4.803 4.740 0.003 0.000 0.257 35 N C -0.572 174.916 175.510 -0.036 0.000 1.064 35 N CA -0.236 52.788 53.050 -0.044 0.000 0.952 35 N CB 0.719 39.179 38.487 -0.045 0.000 1.093 35 N HN 0.747 nan 8.380 nan 0.000 0.490 36 D N 4.474 124.856 120.400 -0.030 0.000 2.317 36 D HA 0.248 4.890 4.640 0.003 0.000 0.234 36 D C -1.804 174.483 176.300 -0.022 0.000 1.112 36 D CA -2.068 51.917 54.000 -0.025 0.000 0.840 36 D CB 1.573 42.359 40.800 -0.023 0.000 1.078 36 D HN 0.392 nan 8.370 nan 0.000 0.486 37 P HA -0.128 nan 4.420 nan 0.000 0.224 37 P C 0.311 177.600 177.300 -0.019 0.000 1.138 37 P CA 1.017 64.104 63.100 -0.021 0.000 0.780 37 P CB 0.351 32.038 31.700 -0.021 0.000 0.755 38 A N -1.996 120.814 122.820 -0.017 0.000 2.390 38 A HA 0.184 4.506 4.320 0.003 0.000 0.225 38 A C 0.666 178.241 177.584 -0.015 0.000 1.232 38 A CA -0.027 52.000 52.037 -0.017 0.000 0.964 38 A CB -0.194 18.797 19.000 -0.016 0.000 1.064 38 A HN 0.093 nan 8.150 nan 0.000 0.525 39 V N -1.130 118.775 119.914 -0.014 0.000 2.637 39 V HA 0.420 4.541 4.120 0.003 0.000 0.296 39 V C 0.424 176.513 176.094 -0.008 0.000 1.046 39 V CA 0.843 63.135 62.300 -0.012 0.000 1.066 39 V CB 0.816 32.630 31.823 -0.014 0.000 0.968 39 V HN 0.162 nan 8.190 nan 0.000 0.483 40 T N 3.959 118.509 114.554 -0.008 0.000 3.176 40 T HA 0.297 4.649 4.350 0.003 0.000 0.263 40 T C 0.122 174.824 174.700 0.004 0.000 1.021 40 T CA 0.249 62.346 62.100 -0.006 0.000 0.905 40 T CB -0.363 68.498 68.868 -0.012 0.000 1.057 40 T HN 0.861 nan 8.240 nan 0.000 0.558 41 Q N -0.397 119.407 119.800 0.006 0.000 2.345 41 Q HA 0.522 4.864 4.340 0.003 0.000 0.275 41 Q C -0.072 175.932 176.000 0.006 0.000 1.063 41 Q CA -0.419 55.392 55.803 0.013 0.000 0.819 41 Q CB 1.723 30.466 28.738 0.008 0.000 1.356 41 Q HN -0.077 nan 8.270 nan 0.000 0.418 42 S N 1.920 117.627 115.700 0.011 0.000 2.557 42 S HA 0.123 4.595 4.470 0.003 0.000 0.223 42 S C 0.576 175.148 174.600 -0.046 0.000 0.969 42 S CA -0.237 57.945 58.200 -0.030 0.000 0.927 42 S CB 0.202 63.369 63.200 -0.056 0.000 0.806 42 S HN 0.487 nan 8.310 nan 0.000 0.489 43 K N 1.680 122.067 120.400 -0.020 0.000 2.362 43 K HA -0.026 4.296 4.320 0.003 0.000 0.200 43 K C 1.347 177.926 176.600 -0.034 0.000 1.046 43 K CA 0.788 57.061 56.287 -0.024 0.000 0.952 43 K CB 0.010 32.507 32.500 -0.006 0.000 0.753 43 K HN 0.460 nan 8.250 nan 0.000 0.466 44 K N -0.601 119.779 120.400 -0.033 0.000 2.313 44 K HA 0.069 4.391 4.320 0.003 0.000 0.197 44 K C 2.231 178.804 176.600 -0.045 0.000 1.061 44 K CA 0.345 56.612 56.287 -0.033 0.000 0.980 44 K CB -0.148 32.338 32.500 -0.024 0.000 0.888 44 K HN -0.023 nan 8.250 nan 0.000 0.502 45 C N 0.986 120.254 119.300 -0.054 0.000 2.564 45 C HA 0.378 4.840 4.460 0.003 0.000 0.281 45 C C 1.054 175.985 174.990 -0.098 0.000 1.314 45 C CA 0.075 59.052 59.018 -0.067 0.000 1.706 45 C CB 0.071 27.773 27.740 -0.063 0.000 2.109 45 C HN 0.425 nan 8.230 nan 0.000 0.502 46 I N 0.268 120.754 120.570 -0.139 0.000 3.102 46 I HA 0.489 4.661 4.170 0.003 0.000 0.310 46 I C -1.453 174.541 176.117 -0.206 0.000 1.246 46 I CA -1.112 60.071 61.300 -0.194 0.000 0.979 46 I CB 2.123 39.934 38.000 -0.315 0.000 1.267 46 I HN 0.367 nan 8.210 nan 0.000 0.451 47 I N 1.604 122.054 120.570 -0.199 0.000 2.740 47 I HA 0.804 4.976 4.170 0.003 0.000 0.303 47 I C -0.895 175.221 176.117 -0.002 0.000 1.044 47 I CA -0.212 60.997 61.300 -0.152 0.000 1.064 47 I CB 2.158 40.022 38.000 -0.226 0.000 1.249 47 I HN 0.565 nan 8.210 nan 0.000 0.433 48 S N 2.120 117.873 115.700 0.088 0.000 2.638 48 S HA 0.514 4.986 4.470 0.003 0.000 0.274 48 S C -0.140 174.542 174.600 0.137 0.000 1.157 48 S CA -0.728 57.612 58.200 0.233 0.000 0.826 48 S CB 1.312 64.710 63.200 0.329 0.000 1.139 48 S HN 0.951 nan 8.310 nan 0.000 0.474 49 N N 0.010 118.755 118.700 0.076 0.000 2.776 49 N HA -0.133 4.608 4.740 0.003 0.000 0.250 49 N C -0.817 174.690 175.510 -0.005 0.000 1.112 49 N CA 0.968 53.971 53.050 -0.077 0.000 0.733 49 N CB -0.748 37.523 38.487 -0.360 0.000 1.097 49 N HN 0.565 nan 8.380 nan 0.000 0.558 50 K N 0.431 120.892 120.400 0.102 0.000 2.245 50 K HA 0.323 4.644 4.320 0.003 0.000 0.234 50 K C 0.411 177.057 176.600 0.077 0.000 1.021 50 K CA -0.696 55.648 56.287 0.096 0.000 0.898 50 K CB 0.730 33.319 32.500 0.147 0.000 1.163 50 K HN 0.186 nan 8.250 nan 0.000 0.459 51 K N 0.714 121.150 120.400 0.060 0.000 2.414 51 K HA 0.062 4.383 4.320 0.003 0.000 0.272 51 K C -0.471 176.154 176.600 0.041 0.000 0.993 51 K CA 0.210 56.521 56.287 0.040 0.000 0.964 51 K CB 0.427 32.944 32.500 0.029 0.000 0.925 51 K HN 0.393 nan 8.250 nan 0.000 0.487 52 S N 3.056 118.767 115.700 0.017 0.000 2.562 52 S HA 0.126 4.598 4.470 0.003 0.000 0.275 52 S C -0.680 173.915 174.600 -0.009 0.000 1.281 52 S CA -0.899 57.300 58.200 -0.003 0.000 1.045 52 S CB 1.384 64.585 63.200 0.001 0.000 0.962 52 S HN 0.486 nan 8.310 nan 0.000 0.503 53 Q N 2.319 122.100 119.800 -0.032 0.000 2.314 53 Q HA 0.308 4.649 4.340 0.003 0.000 0.258 53 Q C -2.117 173.852 176.000 -0.052 0.000 0.954 53 Q CA -1.862 53.910 55.803 -0.052 0.000 0.890 53 Q CB -0.160 28.516 28.738 -0.103 0.000 1.210 53 Q HN 0.374 nan 8.270 nan 0.000 0.410 54 P HA -0.061 nan 4.420 nan 0.000 0.270 54 P C 0.126 177.403 177.300 -0.038 0.000 1.216 54 P CA 0.552 63.634 63.100 -0.030 0.000 0.788 54 P CB 0.371 32.056 31.700 -0.025 0.000 0.883 55 G N 0.846 109.633 108.800 -0.022 0.000 2.441 55 G HA2 -0.245 3.717 3.960 0.003 0.000 0.298 55 G HA3 -0.245 3.717 3.960 0.003 0.000 0.298 55 G C 0.311 175.199 174.900 -0.020 0.000 0.949 55 G CA 0.312 45.402 45.100 -0.016 0.000 1.072 55 G HN 0.495 nan 8.290 nan 0.000 0.512 56 L N -0.679 120.532 121.223 -0.020 0.000 3.135 56 L HA 0.311 4.652 4.340 0.003 0.000 0.279 56 L C 1.104 177.986 176.870 0.020 0.000 1.200 56 L CA -0.506 54.323 54.840 -0.019 0.000 1.016 56 L CB 0.190 42.202 42.059 -0.079 0.000 1.391 56 L HN 0.346 nan 8.230 nan 0.000 0.588 57 M N -0.224 119.394 119.600 0.031 0.000 2.492 57 M HA -0.126 4.356 4.480 0.003 0.000 0.208 57 M C 0.125 176.472 176.300 0.078 0.000 0.467 57 M CA 0.556 55.888 55.300 0.054 0.000 0.554 57 M CB -2.785 29.853 32.600 0.064 0.000 1.977 57 M HN 0.104 nan 8.290 nan 0.000 0.846 58 T N 0.410 115.006 114.554 0.070 0.000 2.828 58 T HA 0.571 4.923 4.350 0.003 0.000 0.290 58 T C 1.899 176.678 174.700 0.130 0.000 1.019 58 T CA -0.323 61.837 62.100 0.101 0.000 1.031 58 T CB 1.281 70.192 68.868 0.073 0.000 1.001 58 T HN 0.459 nan 8.240 nan 0.000 0.531 59 I N -0.560 120.123 120.570 0.189 0.000 4.181 59 I HA 0.182 4.354 4.170 0.003 0.000 0.331 59 I C 1.155 177.358 176.117 0.144 0.000 1.312 59 I CA -0.206 61.204 61.300 0.184 0.000 1.146 59 I CB 0.010 38.185 38.000 0.290 0.000 1.074 59 I HN 0.336 nan 8.210 nan 0.000 0.402 60 R N 1.996 122.587 120.500 0.153 0.000 2.697 60 R HA 0.149 4.491 4.340 0.003 0.000 0.265 60 R C 0.751 177.083 176.300 0.054 0.000 1.009 60 R CA 0.554 56.730 56.100 0.127 0.000 1.099 60 R CB 0.568 30.937 30.300 0.115 0.000 0.965 60 R HN 0.248 nan 8.270 nan 0.000 0.428 61 G N 0.862 109.663 108.800 0.001 0.000 2.945 61 G HA2 0.401 4.363 3.960 0.003 0.000 0.156 61 G HA3 0.401 4.363 3.960 0.003 0.000 0.156 61 G C -0.383 174.498 174.900 -0.031 0.000 1.375 61 G CA -0.117 44.967 45.100 -0.026 0.000 1.039 61 G HN 0.810 nan 8.290 nan 0.000 0.586 62 C N -3.713 115.566 119.300 -0.035 0.000 3.235 62 C HA 0.828 5.290 4.460 0.003 0.000 0.351 62 C C 1.905 176.862 174.990 -0.055 0.000 1.520 62 C CA 0.135 59.135 59.018 -0.030 0.000 1.474 62 C CB 1.266 29.007 27.740 0.001 0.000 2.019 62 C HN 1.059 nan 8.230 nan 0.000 0.446 63 A N -0.791 121.995 122.820 -0.057 0.000 2.070 63 A HA -0.051 4.271 4.320 0.003 0.000 0.220 63 A C 1.770 179.348 177.584 -0.011 0.000 1.159 63 A CA 1.823 53.821 52.037 -0.066 0.000 0.656 63 A CB -0.935 18.011 19.000 -0.089 0.000 0.800 63 A HN 1.138 nan 8.150 nan 0.000 0.453 64 Y N 0.449 120.684 120.300 -0.108 0.000 2.184 64 Y HA 0.009 4.561 4.550 0.003 0.000 0.290 64 Y C 2.584 178.451 175.900 -0.055 0.000 1.129 64 Y CA 1.156 59.208 58.100 -0.080 0.000 1.144 64 Y CB -0.533 37.876 38.460 -0.085 0.000 0.995 64 Y HN 0.286 nan 8.280 nan 0.000 0.513 65 A N 0.215 123.050 122.820 0.026 0.000 1.986 65 A HA -0.176 4.146 4.320 0.003 0.000 0.220 65 A C 2.400 179.891 177.584 -0.155 0.000 1.171 65 A CA 1.919 53.903 52.037 -0.087 0.000 0.640 65 A CB -1.692 17.276 19.000 -0.054 0.000 0.811 65 A HN 0.628 nan 8.150 nan 0.000 0.451 66 G N -1.720 107.014 108.800 -0.110 0.000 2.408 66 G HA2 -0.032 3.930 3.960 0.003 0.000 0.215 66 G HA3 -0.032 3.930 3.960 0.003 0.000 0.215 66 G C 1.859 176.792 174.900 0.055 0.000 1.156 66 G CA 1.347 46.462 45.100 0.025 0.000 0.793 66 G HN 0.571 nan 8.290 nan 0.000 0.535 67 S N -0.673 115.018 115.700 -0.015 0.000 2.427 67 S HA 0.067 4.539 4.470 0.003 0.000 0.224 67 S C 2.124 176.730 174.600 0.009 0.000 1.047 67 S CA 1.282 59.527 58.200 0.075 0.000 0.953 67 S CB -0.080 63.176 63.200 0.094 0.000 0.824 67 S HN 0.225 nan 8.310 nan 0.000 0.502 68 K N 0.591 120.807 120.400 -0.306 0.000 2.308 68 K HA 0.199 4.520 4.320 0.003 0.000 0.197 68 K C 1.862 178.247 176.600 -0.359 0.000 1.049 68 K CA 1.016 57.068 56.287 -0.392 0.000 0.991 68 K CB -0.619 31.436 32.500 -0.742 0.000 0.836 68 K HN 0.387 nan 8.250 nan 0.000 0.500 69 G N 1.096 109.667 108.800 -0.382 0.000 2.425 69 G HA2 -0.128 3.834 3.960 0.003 0.000 0.213 69 G HA3 -0.128 3.834 3.960 0.003 0.000 0.213 69 G C 1.480 176.271 174.900 -0.182 0.000 1.201 69 G CA 1.040 45.994 45.100 -0.243 0.000 0.799 69 G HN 0.198 nan 8.290 nan 0.000 0.534 70 V N -1.245 118.559 119.914 -0.183 0.000 2.492 70 V HA 0.099 4.221 4.120 0.003 0.000 0.241 70 V C 2.496 178.566 176.094 -0.040 0.000 1.041 70 V CA 1.544 63.706 62.300 -0.231 0.000 1.057 70 V CB -0.226 31.348 31.823 -0.415 0.000 0.711 70 V HN 0.107 nan 8.190 nan 0.000 0.468 71 V N -0.715 119.165 119.914 -0.056 0.000 2.341 71 V HA -0.007 4.114 4.120 0.003 0.000 0.240 71 V C 2.238 178.106 176.094 -0.376 0.000 1.035 71 V CA 2.284 64.514 62.300 -0.117 0.000 1.033 71 V CB -0.575 31.137 31.823 -0.184 0.000 0.678 71 V HN 0.647 nan 8.190 nan 0.000 0.464 72 W N 0.485 121.641 121.300 -0.240 0.000 2.488 72 W HA 0.184 4.847 4.660 0.004 0.000 0.304 72 W C 2.561 178.581 176.519 -0.832 0.000 1.175 72 W CA 1.251 58.314 57.345 -0.469 0.000 1.365 72 W CB -1.265 27.914 29.460 -0.468 0.000 1.131 72 W HN 0.304 nan 8.180 nan 0.000 0.520 73 G N 1.461 109.974 108.800 -0.480 0.000 2.740 73 G HA2 -0.337 3.625 3.960 0.003 0.000 0.224 73 G HA3 -0.337 3.625 3.960 0.003 0.000 0.224 73 G C -0.807 173.972 174.900 -0.201 0.000 1.156 73 G CA 1.697 46.576 45.100 -0.368 0.000 0.766 73 G HN 0.151 nan 8.290 nan 0.000 0.623 74 P HA 0.016 nan 4.420 nan 0.000 0.223 74 P C 0.624 177.900 177.300 -0.040 0.000 1.144 74 P CA 0.550 63.587 63.100 -0.104 0.000 0.783 74 P CB -0.012 31.634 31.700 -0.091 0.000 0.771 75 I N 1.076 121.695 120.570 0.081 0.000 2.389 75 I HA -0.011 4.161 4.170 0.003 0.000 0.295 75 I C 1.714 177.957 176.117 0.210 0.000 1.117 75 I CA 0.267 61.658 61.300 0.153 0.000 1.317 75 I CB 0.313 38.457 38.000 0.240 0.000 1.431 75 I HN 0.154 nan 8.210 nan 0.000 0.521 76 K N 4.568 125.040 120.400 0.119 0.000 2.283 76 K HA -0.140 4.182 4.320 0.003 0.000 0.202 76 K C 0.437 177.174 176.600 0.228 0.000 1.048 76 K CA 1.209 57.589 56.287 0.155 0.000 0.948 76 K CB 0.050 32.710 32.500 0.266 0.000 0.742 76 K HN 0.598 nan 8.250 nan 0.000 0.458 77 D N 0.075 120.585 120.400 0.184 0.000 2.388 77 D HA 0.134 4.776 4.640 0.003 0.000 0.221 77 D C 0.292 176.671 176.300 0.132 0.000 1.133 77 D CA -0.091 54.035 54.000 0.209 0.000 0.831 77 D CB 0.126 41.016 40.800 0.150 0.000 0.962 77 D HN 0.213 nan 8.370 nan 0.000 0.502 78 M N 0.140 119.744 119.600 0.006 0.000 2.761 78 M HA 0.490 4.971 4.480 0.003 0.000 0.305 78 M C -1.147 174.768 176.300 -0.641 0.000 1.235 78 M CA -0.948 54.178 55.300 -0.289 0.000 0.850 78 M CB 2.995 35.444 32.600 -0.251 0.000 1.744 78 M HN -0.258 nan 8.290 nan 0.000 0.480 79 I N 2.137 122.177 120.570 -0.883 0.000 2.420 79 I HA 0.246 4.417 4.170 0.003 0.000 0.282 79 I C -0.878 174.709 176.117 -0.884 0.000 1.019 79 I CA -0.738 59.892 61.300 -1.117 0.000 1.130 79 I CB 0.720 37.832 38.000 -1.480 0.000 1.262 79 I HN 0.492 nan 8.210 nan 0.000 0.454 80 H N 7.247 126.107 119.070 -0.349 0.000 2.782 80 H HA 0.363 4.921 4.556 0.003 0.000 0.285 80 H C -0.056 175.168 175.328 -0.173 0.000 1.093 80 H CA -0.312 55.604 56.048 -0.221 0.000 1.410 80 H CB 1.128 30.843 29.762 -0.079 0.000 1.439 80 H HN 0.451 nan 8.280 nan 0.000 0.469 81 I N 2.691 123.194 120.570 -0.112 0.000 2.337 81 I HA -0.027 4.145 4.170 0.003 0.000 0.291 81 I C 0.393 176.539 176.117 0.049 0.000 1.046 81 I CA -0.111 61.166 61.300 -0.038 0.000 1.324 81 I CB 0.590 38.513 38.000 -0.127 0.000 1.409 81 I HN 0.384 nan 8.210 nan 0.000 0.494 82 S N 5.514 121.292 115.700 0.129 0.000 2.423 82 S HA 0.065 4.537 4.470 0.003 0.000 0.302 82 S C -0.115 174.567 174.600 0.137 0.000 1.143 82 S CA -0.251 58.048 58.200 0.165 0.000 1.080 82 S CB -0.554 62.759 63.200 0.187 0.000 1.081 82 S HN 0.348 nan 8.310 nan 0.000 0.522 83 H N 2.431 121.484 119.070 -0.029 0.000 2.723 83 H HA 0.610 5.168 4.556 0.003 0.000 0.294 83 H C 0.616 175.764 175.328 -0.300 0.000 1.079 83 H CA 0.971 56.962 56.048 -0.095 0.000 1.411 83 H CB 0.112 29.821 29.762 -0.089 0.000 1.439 83 H HN 0.841 nan 8.280 nan 0.000 0.474 84 G N 4.192 112.647 108.800 -0.575 0.000 2.325 84 G HA2 -0.080 3.882 3.960 0.003 0.000 0.285 84 G HA3 -0.080 3.882 3.960 0.003 0.000 0.285 84 G C -2.842 171.784 174.900 -0.456 0.000 1.303 84 G CA -0.972 43.539 45.100 -0.982 0.000 0.970 84 G HN 0.480 nan 8.290 nan 0.000 0.490 85 P HA 0.217 nan 4.420 nan 0.000 0.281 85 P C 1.255 178.509 177.300 -0.077 0.000 1.274 85 P CA 0.509 63.568 63.100 -0.069 0.000 0.794 85 P CB 0.565 32.212 31.700 -0.088 0.000 1.201 86 V N -0.148 119.725 119.914 -0.067 0.000 2.725 86 V HA -0.004 4.118 4.120 0.003 0.000 0.247 86 V C 1.992 177.953 176.094 -0.222 0.000 1.058 86 V CA 2.321 64.559 62.300 -0.102 0.000 1.080 86 V CB -1.383 30.398 31.823 -0.071 0.000 0.713 86 V HN 0.656 nan 8.190 nan 0.000 0.465 87 G N -0.191 108.435 108.800 -0.291 0.000 2.586 87 G HA2 -0.344 3.618 3.960 0.003 0.000 0.218 87 G HA3 -0.344 3.618 3.960 0.003 0.000 0.218 87 G C 1.735 176.246 174.900 -0.648 0.000 1.216 87 G CA 1.606 46.351 45.100 -0.591 0.000 0.786 87 G HN 0.570 nan 8.290 nan 0.000 0.583 88 C N 0.913 120.012 119.300 -0.336 0.000 2.328 88 C HA -0.109 4.353 4.460 0.003 0.000 0.276 88 C C 3.274 178.222 174.990 -0.070 0.000 1.173 88 C CA 1.103 59.983 59.018 -0.230 0.000 1.774 88 C CB -1.507 25.864 27.740 -0.614 0.000 2.009 88 C HN 0.580 nan 8.230 nan 0.000 0.436 89 G N -0.677 108.086 108.800 -0.061 0.000 2.574 89 G HA2 -0.358 3.604 3.960 0.003 0.000 0.220 89 G HA3 -0.358 3.604 3.960 0.003 0.000 0.220 89 G C 1.439 176.349 174.900 0.017 0.000 1.173 89 G CA 1.542 46.672 45.100 0.050 0.000 0.772 89 G HN 0.667 nan 8.290 nan 0.000 0.585 90 Q N -0.690 119.042 119.800 -0.113 0.000 2.373 90 Q HA 0.227 4.569 4.340 0.003 0.000 0.206 90 Q C 1.203 177.206 176.000 0.006 0.000 0.942 90 Q CA 0.251 56.000 55.803 -0.090 0.000 0.953 90 Q CB -0.277 28.366 28.738 -0.158 0.000 1.022 90 Q HN 0.797 nan 8.270 nan 0.000 0.502 91 Y N -2.839 117.492 120.300 0.052 0.000 2.444 91 Y HA 0.191 4.742 4.550 0.003 0.000 0.252 91 Y C 1.406 177.345 175.900 0.064 0.000 1.091 91 Y CA -0.128 58.001 58.100 0.049 0.000 1.276 91 Y CB 1.169 39.651 38.460 0.035 0.000 1.170 91 Y HN 0.106 nan 8.280 nan 0.000 0.517 92 S N -0.098 115.740 115.700 0.230 0.000 2.559 92 S HA 0.099 4.570 4.470 0.003 0.000 0.226 92 S C 0.553 175.222 174.600 0.115 0.000 1.000 92 S CA -0.477 57.818 58.200 0.159 0.000 0.948 92 S CB 0.080 63.378 63.200 0.163 0.000 0.870 92 S HN 0.181 nan 8.310 nan 0.000 0.497 93 R N 2.249 122.820 120.500 0.119 0.000 2.446 93 R HA 0.269 4.610 4.340 0.003 0.000 0.325 93 R C 0.684 177.040 176.300 0.094 0.000 0.997 93 R CA 0.801 56.961 56.100 0.100 0.000 1.010 93 R CB -0.291 30.062 30.300 0.088 0.000 0.946 93 R HN 0.295 nan 8.270 nan 0.000 0.422 94 A N 3.092 125.963 122.820 0.084 0.000 2.816 94 A HA -0.219 4.103 4.320 0.003 0.000 0.270 94 A C 1.273 178.898 177.584 0.069 0.000 1.413 94 A CA 1.228 53.313 52.037 0.080 0.000 0.866 94 A CB -2.097 16.966 19.000 0.105 0.000 1.032 94 A HN 0.986 nan 8.150 nan 0.000 0.642 95 G N -0.770 108.064 108.800 0.058 0.000 2.394 95 G HA2 0.114 4.076 3.960 0.003 0.000 0.214 95 G HA3 0.114 4.076 3.960 0.003 0.000 0.214 95 G C 0.767 175.674 174.900 0.012 0.000 1.176 95 G CA 1.043 46.173 45.100 0.051 0.000 0.786 95 G HN 0.848 nan 8.290 nan 0.000 0.533 96 R N 0.471 120.954 120.500 -0.028 0.000 2.490 96 R HA 0.363 4.705 4.340 0.003 0.000 0.280 96 R C 0.547 176.785 176.300 -0.103 0.000 1.077 96 R CA -0.184 55.866 56.100 -0.082 0.000 1.065 96 R CB 0.407 30.646 30.300 -0.101 0.000 1.003 96 R HN 0.103 nan 8.270 nan 0.000 0.470 97 R N 3.033 123.431 120.500 -0.170 0.000 2.978 97 R HA 0.104 4.446 4.340 0.003 0.000 0.298 97 R C -0.492 175.537 176.300 -0.452 0.000 1.296 97 R CA -0.148 55.766 56.100 -0.310 0.000 1.181 97 R CB -0.460 29.662 30.300 -0.297 0.000 1.348 97 R HN 0.674 nan 8.270 nan 0.000 0.585 98 N N 0.891 119.435 118.700 -0.260 0.000 2.399 98 N HA 0.021 4.763 4.740 0.003 0.000 0.259 98 N C -0.810 174.626 175.510 -0.124 0.000 1.160 98 N CA -0.237 52.694 53.050 -0.199 0.000 0.946 98 N CB 0.408 38.839 38.487 -0.094 0.000 1.156 98 N HN -0.013 nan 8.380 nan 0.000 0.489 99 Y N 2.083 122.370 120.300 -0.020 0.000 2.357 99 Y HA 0.191 4.743 4.550 0.002 0.000 0.340 99 Y C 0.367 176.385 175.900 0.196 0.000 1.260 99 Y CA -0.400 57.770 58.100 0.118 0.000 1.425 99 Y CB 0.374 38.804 38.460 -0.049 0.000 1.326 99 Y HN 0.520 nan 8.280 nan 0.000 0.580 100 Y N -0.790 119.736 120.300 0.376 0.000 2.713 100 Y HA 0.711 5.262 4.550 0.002 0.000 0.335 100 Y C -1.822 174.327 175.900 0.414 0.000 1.222 100 Y CA -1.744 56.590 58.100 0.391 0.000 1.061 100 Y CB 0.965 39.561 38.460 0.228 0.000 1.314 100 Y HN 0.203 nan 8.280 nan 0.000 0.453 101 I N 1.613 122.343 120.570 0.267 0.000 2.648 101 I HA 0.913 5.085 4.170 0.003 0.000 0.304 101 I C 0.517 176.634 176.117 -0.000 0.000 1.009 101 I CA -0.159 61.158 61.300 0.029 0.000 1.114 101 I CB 0.975 39.015 38.000 0.066 0.000 1.293 101 I HN 1.105 nan 8.210 nan 0.000 0.449 102 G N 2.938 111.697 108.800 -0.067 0.000 2.359 102 G HA2 0.027 3.989 3.960 0.003 0.000 0.303 102 G HA3 0.027 3.989 3.960 0.003 0.000 0.303 102 G C -1.158 173.704 174.900 -0.063 0.000 1.293 102 G CA -0.851 44.236 45.100 -0.021 0.000 0.964 102 G HN 0.507 nan 8.290 nan 0.000 0.531 103 T N 1.927 116.455 114.554 -0.043 0.000 3.029 103 T HA 0.538 4.890 4.350 0.003 0.000 0.346 103 T C 0.510 175.161 174.700 -0.082 0.000 1.211 103 T CA 0.050 62.118 62.100 -0.054 0.000 1.009 103 T CB 0.691 69.535 68.868 -0.040 0.000 1.084 103 T HN 0.692 nan 8.240 nan 0.000 0.536 104 T N 2.838 117.369 114.554 -0.038 0.000 2.908 104 T HA 0.362 4.714 4.350 0.003 0.000 0.301 104 T C 1.523 176.197 174.700 -0.044 0.000 1.019 104 T CA 1.450 63.543 62.100 -0.012 0.000 1.152 104 T CB 0.304 69.251 68.868 0.132 0.000 0.966 104 T HN 0.933 nan 8.240 nan 0.000 0.540 105 G N 2.365 111.081 108.800 -0.140 0.000 2.345 105 G HA2 -0.293 3.669 3.960 0.003 0.000 0.218 105 G HA3 -0.293 3.669 3.960 0.003 0.000 0.218 105 G C 0.878 175.797 174.900 0.033 0.000 1.058 105 G CA 0.218 45.373 45.100 0.092 0.000 0.632 105 G HN 0.623 nan 8.290 nan 0.000 0.508 106 V N 0.804 120.635 119.914 -0.137 0.000 2.484 106 V HA 0.192 4.313 4.120 0.003 0.000 0.236 106 V C 2.100 178.101 176.094 -0.154 0.000 1.062 106 V CA 2.176 64.442 62.300 -0.057 0.000 1.081 106 V CB -0.321 31.489 31.823 -0.022 0.000 0.751 106 V HN 0.543 nan 8.190 nan 0.000 0.484 107 N N -0.141 118.419 118.700 -0.234 0.000 2.428 107 N HA 0.150 4.892 4.740 0.003 0.000 0.181 107 N C 0.741 176.074 175.510 -0.295 0.000 1.028 107 N CA 0.719 53.687 53.050 -0.136 0.000 0.877 107 N CB 0.388 38.864 38.487 -0.019 0.000 1.064 107 N HN 0.455 nan 8.380 nan 0.000 0.434 108 A N -0.012 122.564 122.820 -0.406 0.000 2.299 108 A HA 0.601 4.923 4.320 0.003 0.000 0.332 108 A C -1.365 175.886 177.584 -0.556 0.000 1.131 108 A CA -0.460 51.474 52.037 -0.173 0.000 0.844 108 A CB 0.513 19.674 19.000 0.269 0.000 1.251 108 A HN 0.333 nan 8.150 nan 0.000 0.486 109 F N 1.006 121.052 119.950 0.159 0.000 2.608 109 F HA 0.221 4.749 4.527 0.003 0.000 0.383 109 F C 0.821 176.695 175.800 0.125 0.000 1.371 109 F CA -0.344 57.750 58.000 0.157 0.000 1.123 109 F CB -0.070 38.938 39.000 0.013 0.000 1.207 109 F HN 0.239 nan 8.300 nan 0.000 0.512 110 V N -0.358 119.653 119.914 0.160 0.000 2.379 110 V HA -0.151 3.971 4.120 0.003 0.000 0.243 110 V C 2.274 178.404 176.094 0.059 0.000 1.035 110 V CA 2.343 64.620 62.300 -0.038 0.000 1.035 110 V CB -0.612 30.823 31.823 -0.648 0.000 0.673 110 V HN 0.556 nan 8.190 nan 0.000 0.457 111 T N -1.881 112.768 114.554 0.159 0.000 3.215 111 T HA 0.183 4.535 4.350 0.003 0.000 0.254 111 T C 0.514 175.316 174.700 0.170 0.000 1.149 111 T CA 0.344 62.554 62.100 0.184 0.000 1.042 111 T CB -0.438 68.583 68.868 0.254 0.000 0.966 111 T HN 0.244 nan 8.240 nan 0.000 0.534 112 M N 1.669 121.394 119.600 0.209 0.000 2.471 112 M HA 0.477 4.959 4.480 0.003 0.000 0.309 112 M C -0.305 176.105 176.300 0.183 0.000 1.186 112 M CA -0.859 54.556 55.300 0.191 0.000 1.008 112 M CB 1.128 33.934 32.600 0.342 0.000 1.551 112 M HN 0.003 nan 8.290 nan 0.000 0.477 113 N N 1.281 119.995 118.700 0.023 0.000 2.519 113 N HA 0.433 5.175 4.740 0.003 0.000 0.286 113 N C -2.225 173.231 175.510 -0.091 0.000 1.079 113 N CA -0.274 52.817 53.050 0.069 0.000 0.878 113 N CB 0.786 39.297 38.487 0.040 0.000 1.375 113 N HN 0.365 nan 8.380 nan 0.000 0.514 114 F N 1.317 121.258 119.950 -0.015 0.000 2.427 114 F HA 0.527 5.056 4.527 0.003 0.000 0.346 114 F C 0.921 176.720 175.800 -0.002 0.000 1.120 114 F CA -0.525 57.451 58.000 -0.041 0.000 1.033 114 F CB 1.890 40.809 39.000 -0.136 0.000 1.126 114 F HN 0.323 nan 8.300 nan 0.000 0.462 115 T N -2.153 112.491 114.554 0.150 0.000 2.909 115 T HA 0.370 4.722 4.350 0.003 0.000 0.299 115 T C 0.526 175.317 174.700 0.151 0.000 1.073 115 T CA -0.461 61.717 62.100 0.130 0.000 0.999 115 T CB 1.588 70.500 68.868 0.073 0.000 1.098 115 T HN 0.487 nan 8.240 nan 0.000 0.477 116 S N 0.498 116.330 115.700 0.219 0.000 2.562 116 S HA 0.089 4.561 4.470 0.003 0.000 0.221 116 S C 0.602 175.373 174.600 0.285 0.000 0.975 116 S CA 0.573 58.950 58.200 0.294 0.000 0.918 116 S CB -0.887 62.653 63.200 0.567 0.000 0.772 116 S HN 1.076 nan 8.310 nan 0.000 0.531 117 D N 0.967 121.503 120.400 0.226 0.000 2.980 117 D HA -0.211 4.431 4.640 0.003 0.000 0.218 117 D C -0.859 175.581 176.300 0.234 0.000 1.225 117 D CA 0.336 54.437 54.000 0.168 0.000 0.804 117 D CB -1.965 38.887 40.800 0.086 0.000 0.906 117 D HN 0.533 nan 8.370 nan 0.000 0.396 118 F N 1.232 121.178 119.950 -0.008 0.000 2.578 118 F HA 0.084 4.612 4.527 0.003 0.000 0.376 118 F C 1.654 177.450 175.800 -0.008 0.000 1.085 118 F CA -0.006 57.987 58.000 -0.011 0.000 1.260 118 F CB 0.561 39.535 39.000 -0.045 0.000 1.095 118 F HN 0.173 nan 8.300 nan 0.000 0.573 119 Q N 2.077 121.897 119.800 0.034 0.000 2.286 119 Q HA 0.146 4.487 4.340 0.003 0.000 0.250 119 Q C 1.051 177.068 176.000 0.029 0.000 1.021 119 Q CA -0.547 55.273 55.803 0.028 0.000 0.930 119 Q CB 1.100 29.837 28.738 -0.002 0.000 1.266 119 Q HN 0.663 nan 8.270 nan 0.000 0.491 120 E N 1.080 121.298 120.200 0.029 0.000 2.048 120 E HA -0.273 4.079 4.350 0.003 0.000 0.202 120 E C 1.503 178.115 176.600 0.020 0.000 1.021 120 E CA 2.582 58.997 56.400 0.024 0.000 0.825 120 E CB 0.097 29.808 29.700 0.018 0.000 0.756 120 E HN 0.562 nan 8.360 nan 0.000 0.454 121 K N -0.048 120.384 120.400 0.053 0.000 2.147 121 K HA -0.179 4.143 4.320 0.003 0.000 0.205 121 K C 1.561 178.246 176.600 0.141 0.000 1.049 121 K CA 1.657 58.037 56.287 0.154 0.000 0.936 121 K CB -0.124 32.540 32.500 0.272 0.000 0.722 121 K HN 0.094 nan 8.250 nan 0.000 0.446 122 D N 1.503 121.883 120.400 -0.034 0.000 2.123 122 D HA -0.135 4.506 4.640 0.003 0.000 0.196 122 D C 2.054 178.288 176.300 -0.110 0.000 0.992 122 D CA 1.096 54.954 54.000 -0.236 0.000 0.833 122 D CB -0.028 40.330 40.800 -0.737 0.000 0.954 122 D HN 0.209 nan 8.370 nan 0.000 0.455 123 I N 0.874 121.452 120.570 0.014 0.000 2.179 123 I HA -0.183 3.989 4.170 0.003 0.000 0.242 123 I C 2.619 178.740 176.117 0.007 0.000 1.088 123 I CA 0.630 61.991 61.300 0.101 0.000 1.357 123 I CB -1.142 36.919 38.000 0.102 0.000 1.051 123 I HN -0.094 nan 8.210 nan 0.000 0.409 124 V N 0.943 120.805 119.914 -0.086 0.000 2.214 124 V HA -0.285 3.836 4.120 0.003 0.000 0.245 124 V C 2.209 178.139 176.094 -0.274 0.000 1.047 124 V CA 2.032 64.172 62.300 -0.268 0.000 0.998 124 V CB -0.794 30.702 31.823 -0.545 0.000 0.633 124 V HN 0.190 nan 8.190 nan 0.000 0.446 125 F N 0.915 120.850 119.950 -0.025 0.000 2.771 125 F HA 0.399 4.928 4.527 0.003 0.000 0.299 125 F C 1.475 177.262 175.800 -0.021 0.000 1.177 125 F CA 0.542 58.526 58.000 -0.026 0.000 1.450 125 F CB -1.189 37.787 39.000 -0.039 0.000 1.114 125 F HN 0.331 nan 8.300 nan 0.000 0.587 126 G N 0.210 109.083 108.800 0.121 0.000 2.881 126 G HA2 0.145 4.106 3.960 0.003 0.000 0.681 126 G HA3 0.145 4.106 3.960 0.003 0.000 0.681 126 G C 0.034 174.979 174.900 0.075 0.000 1.567 126 G CA -0.480 44.684 45.100 0.107 0.000 1.013 126 G HN 0.857 nan 8.290 nan 0.000 0.580 127 G N -0.182 108.669 108.800 0.084 0.000 2.770 127 G HA2 0.593 4.555 3.960 0.003 0.000 0.298 127 G HA3 0.593 4.555 3.960 0.003 0.000 0.298 127 G C -0.223 174.772 174.900 0.159 0.000 1.534 127 G CA 0.568 45.691 45.100 0.039 0.000 1.046 127 G HN 0.565 nan 8.290 nan 0.000 0.548 128 D N 0.716 121.185 120.400 0.114 0.000 2.380 128 D HA 0.073 4.715 4.640 0.003 0.000 0.212 128 D C 2.256 178.581 176.300 0.041 0.000 1.021 128 D CA 0.327 54.390 54.000 0.106 0.000 0.884 128 D CB 0.645 41.488 40.800 0.072 0.000 1.001 128 D HN 0.348 nan 8.370 nan 0.000 0.506 129 K N 0.786 121.200 120.400 0.022 0.000 2.152 129 K HA -0.157 4.164 4.320 0.003 0.000 0.206 129 K C 1.905 178.495 176.600 -0.016 0.000 1.048 129 K CA 0.879 57.161 56.287 -0.007 0.000 0.933 129 K CB 0.052 32.539 32.500 -0.023 0.000 0.721 129 K HN 0.042 nan 8.250 nan 0.000 0.447 130 K N 1.038 121.431 120.400 -0.012 0.000 2.167 130 K HA -0.071 4.250 4.320 0.003 0.000 0.203 130 K C 2.066 178.669 176.600 0.006 0.000 1.052 130 K CA 0.411 56.687 56.287 -0.018 0.000 0.956 130 K CB 0.066 32.527 32.500 -0.065 0.000 0.735 130 K HN -0.027 nan 8.250 nan 0.000 0.451 131 L N 0.914 122.147 121.223 0.017 0.000 2.141 131 L HA -0.021 4.320 4.340 0.003 0.000 0.209 131 L C 2.109 178.924 176.870 -0.091 0.000 1.094 131 L CA 1.772 56.559 54.840 -0.089 0.000 0.763 131 L CB -0.374 41.580 42.059 -0.176 0.000 0.908 131 L HN 0.221 nan 8.230 nan 0.000 0.437 132 A N -0.700 122.088 122.820 -0.054 0.000 1.897 132 A HA -0.174 4.148 4.320 0.003 0.000 0.215 132 A C 2.299 179.860 177.584 -0.038 0.000 1.181 132 A CA 1.543 53.550 52.037 -0.050 0.000 0.620 132 A CB -0.518 18.462 19.000 -0.034 0.000 0.821 132 A HN 0.352 nan 8.150 nan 0.000 0.443 133 K N 0.175 120.559 120.400 -0.027 0.000 2.148 133 K HA -0.001 4.321 4.320 0.003 0.000 0.204 133 K C 1.691 178.286 176.600 -0.008 0.000 1.050 133 K CA 1.431 57.708 56.287 -0.016 0.000 0.942 133 K CB -0.610 31.881 32.500 -0.014 0.000 0.724 133 K HN 0.442 nan 8.250 nan 0.000 0.446 134 L N -0.033 121.181 121.223 -0.014 0.000 2.217 134 L HA 0.115 4.456 4.340 0.003 0.000 0.211 134 L C 1.719 178.574 176.870 -0.026 0.000 1.107 134 L CA 0.917 55.756 54.840 -0.001 0.000 0.783 134 L CB -0.011 42.049 42.059 0.002 0.000 0.919 134 L HN 0.150 nan 8.230 nan 0.000 0.442 135 I N -0.657 119.875 120.570 -0.063 0.000 3.251 135 I HA -0.130 4.042 4.170 0.003 0.000 0.277 135 I C 1.518 177.601 176.117 -0.056 0.000 1.268 135 I CA 0.307 61.552 61.300 -0.092 0.000 1.449 135 I CB -0.282 37.646 38.000 -0.120 0.000 1.083 135 I HN 0.262 nan 8.210 nan 0.000 0.464 136 D N 1.115 121.499 120.400 -0.026 0.000 2.144 136 D HA -0.103 4.539 4.640 0.003 0.000 0.207 136 D C 1.976 178.289 176.300 0.022 0.000 0.970 136 D CA 1.063 55.059 54.000 -0.007 0.000 0.853 136 D CB 0.081 40.877 40.800 -0.006 0.000 1.007 136 D HN 0.266 nan 8.370 nan 0.000 0.469 137 E N 0.366 120.592 120.200 0.042 0.000 2.209 137 E HA -0.142 4.210 4.350 0.003 0.000 0.196 137 E C 2.239 178.935 176.600 0.160 0.000 0.993 137 E CA 0.901 57.353 56.400 0.085 0.000 0.819 137 E CB 0.199 29.957 29.700 0.097 0.000 0.745 137 E HN 0.227 nan 8.360 nan 0.000 0.477 138 V N -0.460 119.542 119.914 0.147 0.000 2.283 138 V HA -0.196 3.926 4.120 0.003 0.000 0.243 138 V C 2.214 178.418 176.094 0.184 0.000 1.039 138 V CA 1.858 64.299 62.300 0.234 0.000 1.016 138 V CB -0.725 31.064 31.823 -0.056 0.000 0.650 138 V HN 0.044 nan 8.190 nan 0.000 0.449 139 E N 1.765 121.998 120.200 0.054 0.000 2.171 139 E HA -0.215 4.136 4.350 0.003 0.000 0.197 139 E C 2.144 178.778 176.600 0.058 0.000 0.997 139 E CA 2.391 58.812 56.400 0.035 0.000 0.810 139 E CB -0.565 29.135 29.700 0.001 0.000 0.738 139 E HN 0.913 nan 8.360 nan 0.000 0.467 140 T N -2.172 112.418 114.554 0.059 0.000 2.901 140 T HA 0.020 4.372 4.350 0.003 0.000 0.252 140 T C 1.931 176.637 174.700 0.010 0.000 1.035 140 T CA 0.769 62.889 62.100 0.032 0.000 1.142 140 T CB -0.367 68.514 68.868 0.021 0.000 0.869 140 T HN 0.159 nan 8.240 nan 0.000 0.442 141 L N -0.702 120.526 121.223 0.010 0.000 2.492 141 L HA 0.338 4.679 4.340 0.003 0.000 0.223 141 L C 0.065 176.651 176.870 -0.474 0.000 1.132 141 L CA 0.508 55.215 54.840 -0.220 0.000 0.850 141 L CB -0.033 41.863 42.059 -0.272 0.000 0.966 141 L HN 0.235 nan 8.230 nan 0.000 0.454 142 F N -1.542 118.475 119.950 0.112 0.000 2.646 142 F HA 0.332 4.861 4.527 0.003 0.000 0.336 142 F C -1.785 174.082 175.800 0.113 0.000 1.437 142 F CA -1.719 56.389 58.000 0.180 0.000 1.142 142 F CB 0.310 39.417 39.000 0.177 0.000 1.530 142 F HN -0.241 nan 8.300 nan 0.000 0.591 143 P HA -0.181 nan 4.420 nan 0.000 0.216 143 P C 1.642 179.036 177.300 0.156 0.000 1.154 143 P CA 1.679 64.860 63.100 0.135 0.000 0.865 143 P CB 0.239 31.991 31.700 0.086 0.000 0.789 144 L N -1.436 119.931 121.223 0.239 0.000 2.610 144 L HA -0.016 4.326 4.340 0.003 0.000 0.232 144 L C 0.802 177.839 176.870 0.278 0.000 1.149 144 L CA -0.247 54.734 54.840 0.235 0.000 0.872 144 L CB -1.488 40.706 42.059 0.225 0.000 0.992 144 L HN 0.080 nan 8.230 nan 0.000 0.447 145 N N 0.755 119.588 118.700 0.222 0.000 2.412 145 N HA -0.085 4.656 4.740 0.003 0.000 0.258 145 N C 0.118 175.608 175.510 -0.032 0.000 1.236 145 N CA 0.303 53.318 53.050 -0.058 0.000 0.882 145 N CB 0.363 38.586 38.487 -0.440 0.000 1.066 145 N HN 0.062 nan 8.380 nan 0.000 0.465 146 K N 1.171 121.553 120.400 -0.031 0.000 2.576 146 K HA 0.332 4.654 4.320 0.003 0.000 0.209 146 K C -0.156 176.412 176.600 -0.053 0.000 1.049 146 K CA -0.364 55.916 56.287 -0.012 0.000 1.140 146 K CB 0.305 32.828 32.500 0.039 0.000 0.871 146 K HN 0.843 nan 8.250 nan 0.000 0.479 147 G N 0.915 109.640 108.800 -0.125 0.000 2.345 147 G HA2 0.150 4.112 3.960 0.003 0.000 0.310 147 G HA3 0.150 4.112 3.960 0.003 0.000 0.310 147 G C -1.773 172.976 174.900 -0.253 0.000 1.476 147 G CA -1.049 43.968 45.100 -0.138 0.000 0.978 147 G HN 0.064 nan 8.290 nan 0.000 0.656 148 I N 0.719 121.131 120.570 -0.265 0.000 2.534 148 I HA 0.496 4.667 4.170 0.003 0.000 0.288 148 I C -0.057 175.840 176.117 -0.367 0.000 1.077 148 I CA -0.825 60.262 61.300 -0.355 0.000 1.051 148 I CB 2.292 40.084 38.000 -0.345 0.000 1.234 148 I HN 0.471 nan 8.210 nan 0.000 0.425 149 S N 5.505 120.978 115.700 -0.379 0.000 2.448 149 S HA 0.446 4.918 4.470 0.003 0.000 0.320 149 S C -0.467 173.899 174.600 -0.389 0.000 1.071 149 S CA -0.497 57.407 58.200 -0.493 0.000 1.113 149 S CB 0.703 63.622 63.200 -0.468 0.000 0.972 149 S HN 0.321 nan 8.310 nan 0.000 0.465 150 V N 7.242 126.903 119.914 -0.420 0.000 2.322 150 V HA 0.266 4.388 4.120 0.003 0.000 0.258 150 V C -0.021 175.929 176.094 -0.240 0.000 1.074 150 V CA -0.605 61.517 62.300 -0.297 0.000 0.909 150 V CB 0.651 32.288 31.823 -0.311 0.000 1.090 150 V HN 0.736 nan 8.190 nan 0.000 0.486 151 Q N 3.336 123.050 119.800 -0.143 0.000 2.307 151 Q HA 0.284 4.626 4.340 0.003 0.000 0.259 151 Q C 0.585 176.609 176.000 0.040 0.000 0.998 151 Q CA 0.000 55.761 55.803 -0.071 0.000 0.923 151 Q CB 1.307 30.031 28.738 -0.023 0.000 1.196 151 Q HN 0.831 nan 8.270 nan 0.000 0.416 152 S N 2.197 117.896 115.700 -0.001 0.000 2.614 152 S HA 0.468 4.939 4.470 0.003 0.000 0.265 152 S C 0.007 174.570 174.600 -0.061 0.000 1.303 152 S CA -0.604 57.578 58.200 -0.030 0.000 1.000 152 S CB 1.680 64.838 63.200 -0.070 0.000 0.935 152 S HN 0.525 nan 8.310 nan 0.000 0.551 153 E N -0.918 119.158 120.200 -0.206 0.000 2.410 153 E HA 0.359 4.711 4.350 0.003 0.000 0.269 153 E C 0.680 177.114 176.600 -0.277 0.000 0.937 153 E CA -1.059 55.174 56.400 -0.279 0.000 0.793 153 E CB 1.307 30.782 29.700 -0.375 0.000 1.314 153 E HN 0.698 nan 8.360 nan 0.000 0.447 154 C N 1.028 120.186 119.300 -0.236 0.000 2.318 154 C HA -0.192 4.269 4.460 0.003 0.000 0.272 154 C C -0.473 174.540 174.990 0.039 0.000 1.156 154 C CA 1.173 60.149 59.018 -0.071 0.000 1.783 154 C CB -1.865 25.899 27.740 0.039 0.000 2.023 154 C HN 0.714 nan 8.230 nan 0.000 0.437 155 P HA -0.140 nan 4.420 nan 0.000 0.217 155 P C 1.598 178.857 177.300 -0.068 0.000 1.162 155 P CA 1.601 64.653 63.100 -0.081 0.000 0.901 155 P CB -0.290 31.284 31.700 -0.210 0.000 0.793 156 I N -1.126 119.320 120.570 -0.207 0.000 2.248 156 I HA -0.173 3.999 4.170 0.003 0.000 0.248 156 I C 2.380 178.505 176.117 0.013 0.000 1.107 156 I CA 2.149 63.364 61.300 -0.142 0.000 1.373 156 I CB -2.204 35.647 38.000 -0.249 0.000 1.055 156 I HN 0.041 nan 8.210 nan 0.000 0.418 157 G N 0.737 109.591 108.800 0.089 0.000 2.408 157 G HA2 -0.122 3.839 3.960 0.003 0.000 0.217 157 G HA3 -0.122 3.839 3.960 0.003 0.000 0.217 157 G C 1.809 176.895 174.900 0.310 0.000 1.150 157 G CA 0.393 45.683 45.100 0.317 0.000 0.776 157 G HN 0.336 nan 8.290 nan 0.000 0.542 158 L N 0.371 121.720 121.223 0.209 0.000 2.071 158 L HA 0.109 4.451 4.340 0.003 0.000 0.201 158 L C 2.587 179.473 176.870 0.028 0.000 1.076 158 L CA 0.143 55.002 54.840 0.031 0.000 0.755 158 L CB -0.424 41.626 42.059 -0.015 0.000 0.915 158 L HN 0.013 nan 8.230 nan 0.000 0.445 159 I N 1.041 121.637 120.570 0.043 0.000 2.657 159 I HA -0.127 4.045 4.170 0.003 0.000 0.261 159 I C 1.282 177.429 176.117 0.050 0.000 1.212 159 I CA 1.005 62.332 61.300 0.046 0.000 1.453 159 I CB -2.186 35.860 38.000 0.078 0.000 1.092 159 I HN 0.479 nan 8.210 nan 0.000 0.452 160 G N 2.862 111.696 108.800 0.057 0.000 2.354 160 G HA2 -0.221 3.741 3.960 0.003 0.000 0.278 160 G HA3 -0.221 3.741 3.960 0.003 0.000 0.278 160 G C -0.367 174.570 174.900 0.062 0.000 0.953 160 G CA 0.060 45.194 45.100 0.057 0.000 1.346 160 G HN 0.312 nan 8.290 nan 0.000 0.467 161 D N 0.011 120.455 120.400 0.074 0.000 2.181 161 D HA 0.394 5.036 4.640 0.003 0.000 0.248 161 D C 0.127 176.473 176.300 0.078 0.000 1.020 161 D CA -0.627 53.427 54.000 0.091 0.000 0.891 161 D CB 1.271 42.155 40.800 0.140 0.000 1.187 161 D HN 0.113 nan 8.370 nan 0.000 0.443 162 D N 1.283 121.725 120.400 0.069 0.000 2.713 162 D HA 0.067 4.709 4.640 0.003 0.000 0.229 162 D C 1.316 177.639 176.300 0.038 0.000 1.136 162 D CA -0.257 53.773 54.000 0.051 0.000 1.010 162 D CB -0.414 40.413 40.800 0.044 0.000 1.084 162 D HN 0.376 nan 8.370 nan 0.000 0.495 163 I N -1.705 118.889 120.570 0.041 0.000 3.176 163 I HA -0.021 4.151 4.170 0.003 0.000 0.275 163 I C 1.448 177.515 176.117 -0.084 0.000 1.298 163 I CA 0.786 62.086 61.300 -0.000 0.000 1.445 163 I CB 0.072 38.098 38.000 0.044 0.000 1.075 163 I HN -0.041 nan 8.210 nan 0.000 0.482 164 E N 1.001 121.175 120.200 -0.045 0.000 2.112 164 E HA -0.126 4.226 4.350 0.003 0.000 0.190 164 E C 2.161 178.759 176.600 -0.004 0.000 0.979 164 E CA 1.285 57.656 56.400 -0.048 0.000 0.814 164 E CB -0.134 29.596 29.700 0.051 0.000 0.762 164 E HN 0.627 nan 8.360 nan 0.000 0.460 165 S N 0.843 116.556 115.700 0.023 0.000 2.345 165 S HA -0.100 4.371 4.470 0.003 0.000 0.219 165 S C 2.301 176.906 174.600 0.009 0.000 1.031 165 S CA 1.019 59.243 58.200 0.041 0.000 0.984 165 S CB -0.238 62.986 63.200 0.039 0.000 0.874 165 S HN 0.036 nan 8.310 nan 0.000 0.451 166 V N 2.122 122.024 119.914 -0.020 0.000 2.278 166 V HA -0.189 3.933 4.120 0.003 0.000 0.251 166 V C 2.679 178.729 176.094 -0.074 0.000 1.062 166 V CA 2.376 64.651 62.300 -0.042 0.000 1.038 166 V CB -1.159 30.631 31.823 -0.056 0.000 0.646 166 V HN 0.550 nan 8.190 nan 0.000 0.447 167 S N -1.137 114.482 115.700 -0.136 0.000 2.442 167 S HA -0.192 4.279 4.470 0.003 0.000 0.236 167 S C 1.920 176.458 174.600 -0.104 0.000 1.007 167 S CA 1.334 59.410 58.200 -0.206 0.000 0.965 167 S CB -0.213 62.739 63.200 -0.413 0.000 0.773 167 S HN 0.615 nan 8.310 nan 0.000 0.504 168 K N 0.484 120.886 120.400 0.004 0.000 2.067 168 K HA 0.057 4.378 4.320 0.003 0.000 0.203 168 K C 2.042 178.681 176.600 0.065 0.000 1.048 168 K CA 0.796 57.161 56.287 0.131 0.000 0.954 168 K CB -0.189 32.423 32.500 0.188 0.000 0.737 168 K HN 0.137 nan 8.250 nan 0.000 0.444 169 V N 1.745 121.677 119.914 0.029 0.000 2.221 169 V HA -0.154 3.968 4.120 0.003 0.000 0.242 169 V C 0.848 176.942 176.094 -0.000 0.000 1.041 169 V CA 1.336 63.645 62.300 0.015 0.000 0.995 169 V CB -0.208 31.619 31.823 0.007 0.000 0.635 169 V HN 0.197 nan 8.190 nan 0.000 0.448 170 K N 0.721 121.108 120.400 -0.022 0.000 2.349 170 K HA 0.406 4.728 4.320 0.003 0.000 0.289 170 K C 0.754 177.330 176.600 -0.040 0.000 1.064 170 K CA 0.968 57.234 56.287 -0.035 0.000 0.947 170 K CB 0.375 32.842 32.500 -0.055 0.000 1.007 170 K HN 0.610 nan 8.250 nan 0.000 0.478 171 G N 2.007 110.792 108.800 -0.024 0.000 2.796 171 G HA2 -0.254 3.708 3.960 0.003 0.000 0.198 171 G HA3 -0.254 3.708 3.960 0.003 0.000 0.198 171 G C 0.901 175.810 174.900 0.014 0.000 1.062 171 G CA 0.111 45.200 45.100 -0.017 0.000 0.752 171 G HN 0.548 nan 8.290 nan 0.000 0.487 172 A N 0.559 123.395 122.820 0.027 0.000 2.072 172 A HA 0.458 4.780 4.320 0.003 0.000 0.216 172 A C 1.825 179.421 177.584 0.019 0.000 1.156 172 A CA 2.157 54.215 52.037 0.035 0.000 0.701 172 A CB -0.182 18.846 19.000 0.046 0.000 0.816 172 A HN 0.595 nan 8.150 nan 0.000 0.458 173 E N -0.003 120.203 120.200 0.010 0.000 2.057 173 E HA 0.027 4.379 4.350 0.003 0.000 0.190 173 E C 1.420 178.021 176.600 0.001 0.000 0.969 173 E CA 0.388 56.791 56.400 0.004 0.000 0.812 173 E CB -0.116 29.583 29.700 -0.002 0.000 0.777 173 E HN 0.522 nan 8.360 nan 0.000 0.455 174 L N 0.874 122.094 121.223 -0.006 0.000 2.610 174 L HA 0.100 4.442 4.340 0.003 0.000 0.232 174 L C 0.507 177.375 176.870 -0.003 0.000 1.149 174 L CA 0.008 54.843 54.840 -0.008 0.000 0.872 174 L CB 0.145 42.192 42.059 -0.021 0.000 0.992 174 L HN 0.042 nan 8.230 nan 0.000 0.447 175 S N 0.516 116.218 115.700 0.004 0.000 3.706 175 S HA -0.197 4.275 4.470 0.003 0.000 0.363 175 S C 0.074 174.678 174.600 0.007 0.000 0.999 175 S CA 0.900 59.106 58.200 0.010 0.000 1.143 175 S CB -0.892 62.315 63.200 0.011 0.000 0.902 175 S HN 0.575 nan 8.310 nan 0.000 0.476 176 K N 0.334 120.735 120.400 0.001 0.000 2.523 176 K HA 0.452 4.774 4.320 0.003 0.000 0.257 176 K C -0.563 176.034 176.600 -0.006 0.000 0.932 176 K CA -0.618 55.663 56.287 -0.009 0.000 0.812 176 K CB 1.355 33.834 32.500 -0.035 0.000 1.326 176 K HN 0.074 nan 8.250 nan 0.000 0.433 177 T N 3.841 118.396 114.554 0.002 0.000 2.834 177 T HA 0.317 4.668 4.350 0.003 0.000 0.298 177 T C 0.049 174.718 174.700 -0.052 0.000 0.966 177 T CA 0.014 62.129 62.100 0.025 0.000 1.141 177 T CB -0.066 68.834 68.868 0.053 0.000 0.905 177 T HN 0.330 nan 8.240 nan 0.000 0.535 178 I N 3.025 123.548 120.570 -0.078 0.000 2.466 178 I HA 0.310 4.482 4.170 0.003 0.000 0.289 178 I C -0.510 175.351 176.117 -0.428 0.000 1.026 178 I CA -1.118 60.037 61.300 -0.242 0.000 1.078 178 I CB 2.124 39.977 38.000 -0.245 0.000 1.249 178 I HN 0.296 nan 8.210 nan 0.000 0.429 179 V N 8.152 127.739 119.914 -0.544 0.000 2.304 179 V HA 0.216 4.338 4.120 0.003 0.000 0.269 179 V C -2.070 173.512 176.094 -0.854 0.000 1.036 179 V CA -1.556 60.268 62.300 -0.792 0.000 0.840 179 V CB 0.792 32.129 31.823 -0.809 0.000 1.036 179 V HN 0.539 nan 8.190 nan 0.000 0.466 180 P HA -0.008 nan 4.420 nan 0.000 0.229 180 P C 0.057 177.068 177.300 -0.480 0.000 1.597 180 P CA 0.678 63.356 63.100 -0.702 0.000 1.030 180 P CB -0.064 31.187 31.700 -0.747 0.000 1.897 181 V N 2.673 122.307 119.914 -0.466 0.000 2.508 181 V HA 0.136 4.257 4.120 0.003 0.000 0.281 181 V C 0.544 176.529 176.094 -0.182 0.000 1.041 181 V CA -0.206 61.903 62.300 -0.319 0.000 1.016 181 V CB 0.110 31.635 31.823 -0.497 0.000 0.984 181 V HN 0.161 nan 8.190 nan 0.000 0.478 182 R N 5.896 126.340 120.500 -0.093 0.000 2.215 182 R HA 0.350 4.692 4.340 0.003 0.000 0.337 182 R C -0.353 175.910 176.300 -0.062 0.000 1.010 182 R CA -0.234 55.825 56.100 -0.070 0.000 0.871 182 R CB 0.719 30.994 30.300 -0.040 0.000 1.134 182 R HN 0.891 nan 8.270 nan 0.000 0.477 183 C N 1.272 120.528 119.300 -0.073 0.000 3.290 183 C HA 0.322 4.784 4.460 0.003 0.000 0.206 183 C C 0.225 175.143 174.990 -0.119 0.000 1.639 183 C CA -1.255 57.727 59.018 -0.060 0.000 1.408 183 C CB -0.338 27.400 27.740 -0.004 0.000 2.197 183 C HN 0.552 nan 8.230 nan 0.000 0.508 184 E N 0.891 120.919 120.200 -0.286 0.000 2.324 184 E HA 0.221 4.573 4.350 0.003 0.000 0.271 184 E C 1.275 177.544 176.600 -0.551 0.000 1.028 184 E CA 0.369 56.436 56.400 -0.555 0.000 0.890 184 E CB 0.928 29.953 29.700 -1.124 0.000 1.004 184 E HN 0.616 nan 8.360 nan 0.000 0.431 185 G N 3.513 112.091 108.800 -0.369 0.000 2.505 185 G HA2 -0.338 3.624 3.960 0.003 0.000 0.220 185 G HA3 -0.338 3.624 3.960 0.003 0.000 0.220 185 G C 1.082 175.896 174.900 -0.143 0.000 1.145 185 G CA 1.030 46.014 45.100 -0.194 0.000 0.761 185 G HN 0.634 nan 8.290 nan 0.000 0.571 186 F N 0.348 120.280 119.950 -0.030 0.000 2.641 186 F HA 0.319 4.848 4.527 0.003 0.000 0.298 186 F C 1.213 176.999 175.800 -0.024 0.000 1.146 186 F CA -0.680 57.303 58.000 -0.028 0.000 1.464 186 F CB -0.390 38.590 39.000 -0.033 0.000 1.101 186 F HN -0.082 nan 8.300 nan 0.000 0.585 187 R N 1.199 121.666 120.500 -0.055 0.000 2.357 187 R HA 0.482 4.824 4.340 0.003 0.000 0.296 187 R C 0.582 176.879 176.300 -0.005 0.000 1.052 187 R CA 0.464 56.576 56.100 0.019 0.000 0.988 187 R CB 0.523 30.749 30.300 -0.124 0.000 1.025 187 R HN 0.569 nan 8.270 nan 0.000 0.469 188 G N 0.599 109.409 108.800 0.017 0.000 2.796 188 G HA2 -0.259 3.702 3.960 0.003 0.000 0.571 188 G HA3 -0.259 3.702 3.960 0.003 0.000 0.571 188 G C 0.324 175.226 174.900 0.003 0.000 1.370 188 G CA -0.348 44.747 45.100 -0.007 0.000 0.856 188 G HN 0.643 nan 8.290 nan 0.000 0.538 189 V N -2.877 117.033 119.914 -0.006 0.000 3.565 189 V HA 0.600 4.722 4.120 0.003 0.000 0.260 189 V C 1.279 177.376 176.094 0.005 0.000 1.231 189 V CA 2.171 64.474 62.300 0.005 0.000 1.100 189 V CB -0.274 31.551 31.823 0.004 0.000 0.807 189 V HN 2.266 nan 8.190 nan 0.000 0.454 190 S N -0.361 115.329 115.700 -0.017 0.000 3.576 190 S HA 0.355 4.827 4.470 0.003 0.000 0.321 190 S C 0.620 175.143 174.600 -0.128 0.000 1.174 190 S CA -0.059 58.120 58.200 -0.034 0.000 1.102 190 S CB 1.350 64.574 63.200 0.039 0.000 1.467 190 S HN 0.179 nan 8.310 nan 0.000 0.701 191 Q N 0.882 120.518 119.800 -0.275 0.000 2.212 191 Q HA 0.126 4.468 4.340 0.003 0.000 0.199 191 Q C 2.133 177.809 176.000 -0.540 0.000 0.950 191 Q CA 0.959 56.517 55.803 -0.407 0.000 0.863 191 Q CB -0.398 27.972 28.738 -0.614 0.000 0.944 191 Q HN 0.611 nan 8.270 nan 0.000 0.465 192 S N 1.269 116.637 115.700 -0.553 0.000 2.407 192 S HA -0.285 4.187 4.470 0.003 0.000 0.244 192 S C 1.827 176.294 174.600 -0.223 0.000 1.077 192 S CA 1.713 59.665 58.200 -0.414 0.000 1.159 192 S CB -0.418 62.834 63.200 0.086 0.000 1.045 192 S HN 0.395 nan 8.310 nan 0.000 0.438 193 L N 1.847 123.010 121.223 -0.100 0.000 2.051 193 L HA -0.033 4.308 4.340 0.003 0.000 0.214 193 L C 2.487 179.352 176.870 -0.009 0.000 1.076 193 L CA 2.378 57.192 54.840 -0.043 0.000 0.758 193 L CB -1.482 40.543 42.059 -0.057 0.000 0.890 193 L HN 0.478 nan 8.230 nan 0.000 0.433 194 G N -1.856 106.910 108.800 -0.058 0.000 2.505 194 G HA2 -0.332 3.630 3.960 0.003 0.000 0.220 194 G HA3 -0.332 3.630 3.960 0.003 0.000 0.220 194 G C 1.370 176.384 174.900 0.190 0.000 1.145 194 G CA 1.309 46.427 45.100 0.030 0.000 0.761 194 G HN 0.642 nan 8.290 nan 0.000 0.571 195 H N -1.461 117.666 119.070 0.096 0.000 2.270 195 H HA -0.098 4.460 4.556 0.003 0.000 0.299 195 H C 2.501 177.995 175.328 0.277 0.000 1.077 195 H CA 0.950 57.111 56.048 0.188 0.000 1.294 195 H CB -0.184 29.738 29.762 0.267 0.000 1.371 195 H HN 0.250 nan 8.280 nan 0.000 0.491 196 H N 1.156 120.380 119.070 0.257 0.000 2.387 196 H HA -0.106 4.452 4.556 0.004 0.000 0.299 196 H C 2.199 177.517 175.328 -0.018 0.000 1.099 196 H CA 1.467 57.402 56.048 -0.188 0.000 1.315 196 H CB -0.067 29.290 29.762 -0.674 0.000 1.380 196 H HN 0.349 nan 8.280 nan 0.000 0.513 197 I N -0.132 120.556 120.570 0.197 0.000 2.353 197 I HA -0.172 4.000 4.170 0.003 0.000 0.248 197 I C 2.839 179.089 176.117 0.221 0.000 1.119 197 I CA 0.767 62.160 61.300 0.156 0.000 1.417 197 I CB -0.384 37.667 38.000 0.084 0.000 1.078 197 I HN 0.172 nan 8.210 nan 0.000 0.421 198 A N 1.444 124.423 122.820 0.265 0.000 1.832 198 A HA -0.220 4.102 4.320 0.003 0.000 0.214 198 A C 2.058 179.814 177.584 0.287 0.000 1.200 198 A CA 2.005 54.255 52.037 0.356 0.000 0.610 198 A CB -1.137 18.006 19.000 0.238 0.000 0.842 198 A HN 0.433 nan 8.150 nan 0.000 0.444 199 N N 0.121 118.952 118.700 0.219 0.000 2.058 199 N HA -0.248 4.494 4.740 0.003 0.000 0.200 199 N C 1.313 176.930 175.510 0.178 0.000 1.033 199 N CA 1.777 54.940 53.050 0.188 0.000 0.880 199 N CB -0.446 38.158 38.487 0.195 0.000 1.069 199 N HN 0.476 nan 8.380 nan 0.000 0.461 200 D N 0.904 121.406 120.400 0.171 0.000 2.092 200 D HA -0.142 4.499 4.640 0.003 0.000 0.193 200 D C 1.967 178.377 176.300 0.183 0.000 0.994 200 D CA 1.160 55.237 54.000 0.129 0.000 0.828 200 D CB -0.607 40.280 40.800 0.145 0.000 0.963 200 D HN 0.316 nan 8.370 nan 0.000 0.450 201 A N 0.832 123.812 122.820 0.267 0.000 1.997 201 A HA -0.208 4.114 4.320 0.003 0.000 0.221 201 A C 2.560 180.423 177.584 0.465 0.000 1.172 201 A CA 1.687 53.941 52.037 0.362 0.000 0.645 201 A CB -0.753 18.464 19.000 0.362 0.000 0.813 201 A HN 0.187 nan 8.150 nan 0.000 0.454 202 V N 0.765 120.925 119.914 0.409 0.000 2.283 202 V HA -0.267 3.855 4.120 0.003 0.000 0.243 202 V C 2.603 178.823 176.094 0.210 0.000 1.039 202 V CA 2.246 64.737 62.300 0.319 0.000 1.016 202 V CB -0.952 30.931 31.823 0.099 0.000 0.650 202 V HN 0.844 nan 8.190 nan 0.000 0.449 203 R N 1.114 121.687 120.500 0.121 0.000 2.200 203 R HA -0.167 4.175 4.340 0.003 0.000 0.234 203 R C 1.391 177.671 176.300 -0.033 0.000 1.127 203 R CA 2.117 58.209 56.100 -0.013 0.000 0.989 203 R CB -0.686 29.387 30.300 -0.377 0.000 0.869 203 R HN 0.473 nan 8.270 nan 0.000 0.459 204 D N -0.271 120.142 120.400 0.021 0.000 2.214 204 D HA -0.046 4.595 4.640 0.003 0.000 0.217 204 D C 1.285 177.428 176.300 -0.262 0.000 0.973 204 D CA 1.126 55.046 54.000 -0.135 0.000 0.880 204 D CB -0.341 40.395 40.800 -0.106 0.000 1.031 204 D HN 0.337 nan 8.370 nan 0.000 0.468 205 W N 0.239 121.566 121.300 0.045 0.000 2.762 205 W HA 0.192 4.854 4.660 0.003 0.000 0.265 205 W C 1.911 178.459 176.519 0.048 0.000 1.263 205 W CA 0.001 57.364 57.345 0.031 0.000 1.411 205 W CB -0.056 29.401 29.460 -0.005 0.000 1.065 205 W HN -0.199 nan 8.180 nan 0.000 0.609 206 V N -0.574 119.504 119.914 0.273 0.000 2.721 206 V HA -0.064 4.057 4.120 0.003 0.000 0.236 206 V C 1.910 178.065 176.094 0.102 0.000 1.116 206 V CA 0.457 62.863 62.300 0.175 0.000 1.148 206 V CB -1.209 30.722 31.823 0.180 0.000 0.886 206 V HN -0.069 nan 8.190 nan 0.000 0.490 207 L N 2.157 123.446 121.223 0.111 0.000 1.976 207 L HA -0.136 4.206 4.340 0.003 0.000 0.223 207 L C 1.969 178.943 176.870 0.174 0.000 1.081 207 L CA 2.625 57.554 54.840 0.149 0.000 0.784 207 L CB -1.288 40.929 42.059 0.263 0.000 0.896 207 L HN 0.390 nan 8.230 nan 0.000 0.438 208 G N -0.947 107.971 108.800 0.197 0.000 3.352 208 G HA2 -0.049 3.913 3.960 0.003 0.000 0.236 208 G HA3 -0.049 3.913 3.960 0.003 0.000 0.236 208 G C 1.060 176.025 174.900 0.108 0.000 1.324 208 G CA 0.453 45.677 45.100 0.208 0.000 1.404 208 G HN 0.683 nan 8.290 nan 0.000 0.542 209 K N -0.917 119.527 120.400 0.074 0.000 2.360 209 K HA 0.194 4.516 4.320 0.003 0.000 0.196 209 K C 1.375 177.993 176.600 0.031 0.000 1.049 209 K CA -0.387 55.927 56.287 0.045 0.000 1.049 209 K CB 0.355 32.880 32.500 0.041 0.000 0.881 209 K HN 0.130 nan 8.250 nan 0.000 0.542 210 R N 1.249 121.759 120.500 0.017 0.000 2.586 210 R HA 0.111 4.453 4.340 0.003 0.000 0.306 210 R C -0.093 176.205 176.300 -0.002 0.000 1.079 210 R CA -0.160 55.934 56.100 -0.010 0.000 1.083 210 R CB 0.315 30.576 30.300 -0.065 0.000 1.306 210 R HN 0.196 nan 8.270 nan 0.000 0.567 211 D N 1.912 122.338 120.400 0.043 0.000 2.144 211 D HA -0.114 4.528 4.640 0.003 0.000 0.200 211 D C 0.215 176.550 176.300 0.058 0.000 0.978 211 D CA 1.357 55.405 54.000 0.080 0.000 0.833 211 D CB 0.313 41.191 40.800 0.131 0.000 0.961 211 D HN 0.349 nan 8.370 nan 0.000 0.470 212 E N 0.507 120.733 120.200 0.044 0.000 3.351 212 E HA 0.190 4.542 4.350 0.003 0.000 0.220 212 E C -0.906 175.713 176.600 0.033 0.000 1.150 212 E CA -0.207 56.216 56.400 0.039 0.000 1.359 212 E CB 0.595 30.317 29.700 0.035 0.000 1.365 212 E HN -0.031 nan 8.360 nan 0.000 0.434 213 D N 0.740 121.159 120.400 0.031 0.000 2.386 213 D HA 0.030 4.672 4.640 0.003 0.000 0.247 213 D C -0.030 176.300 176.300 0.050 0.000 1.336 213 D CA -0.579 53.443 54.000 0.036 0.000 0.976 213 D CB 1.001 41.819 40.800 0.029 0.000 1.257 213 D HN 0.069 nan 8.370 nan 0.000 0.570 214 T N 0.046 114.637 114.554 0.062 0.000 3.258 214 T HA 0.133 4.484 4.350 0.003 0.000 0.259 214 T C 0.956 175.720 174.700 0.107 0.000 0.963 214 T CA -0.127 62.025 62.100 0.086 0.000 0.919 214 T CB -0.348 68.559 68.868 0.065 0.000 1.110 214 T HN 0.262 nan 8.240 nan 0.000 0.550 215 T N -0.888 113.738 114.554 0.121 0.000 3.317 215 T HA 0.311 4.663 4.350 0.003 0.000 0.250 215 T C -0.150 174.646 174.700 0.159 0.000 1.106 215 T CA -0.556 61.610 62.100 0.111 0.000 0.986 215 T CB -0.747 68.175 68.868 0.091 0.000 1.010 215 T HN 0.435 nan 8.240 nan 0.000 0.560 216 F N 1.458 121.412 119.950 0.007 0.000 2.523 216 F HA 0.667 5.195 4.527 0.001 0.000 0.329 216 F C -0.508 175.294 175.800 0.003 0.000 1.061 216 F CA -1.495 56.509 58.000 0.007 0.000 0.967 216 F CB 1.584 40.587 39.000 0.006 0.000 1.218 216 F HN 0.086 nan 8.300 nan 0.000 0.480 217 A N 2.870 125.505 122.820 -0.309 0.000 2.323 217 A HA 0.483 4.804 4.320 0.003 0.000 0.305 217 A C -0.785 176.768 177.584 -0.051 0.000 1.275 217 A CA -0.508 51.451 52.037 -0.129 0.000 0.804 217 A CB 0.601 19.496 19.000 -0.175 0.000 1.152 217 A HN 0.598 nan 8.150 nan 0.000 0.487 218 S N 2.454 118.209 115.700 0.092 0.000 2.430 218 S HA 0.360 4.832 4.470 0.003 0.000 0.282 218 S C 0.440 175.048 174.600 0.014 0.000 1.186 218 S CA 0.127 58.393 58.200 0.110 0.000 1.060 218 S CB -0.244 63.024 63.200 0.113 0.000 0.966 218 S HN 0.686 nan 8.310 nan 0.000 0.501 219 T N 7.445 121.994 114.554 -0.007 0.000 2.882 219 T HA 0.320 4.671 4.350 0.003 0.000 0.287 219 T C -1.787 172.843 174.700 -0.116 0.000 0.992 219 T CA -1.342 60.691 62.100 -0.111 0.000 1.076 219 T CB 1.385 70.181 68.868 -0.121 0.000 0.961 219 T HN 0.364 nan 8.240 nan 0.000 0.490 220 P HA -0.034 nan 4.420 nan 0.000 0.231 220 P C -0.000 177.426 177.300 0.211 0.000 1.154 220 P CA 1.191 64.211 63.100 -0.133 0.000 0.762 220 P CB -0.097 31.447 31.700 -0.261 0.000 0.790 221 Y N -2.574 117.846 120.300 0.200 0.000 2.483 221 Y HA 0.149 4.700 4.550 0.001 0.000 0.258 221 Y C 0.833 176.816 175.900 0.137 0.000 1.083 221 Y CA -1.051 57.142 58.100 0.155 0.000 1.283 221 Y CB -0.053 38.393 38.460 -0.024 0.000 1.178 221 Y HN -0.218 nan 8.280 nan 0.000 0.515 222 D N 2.433 122.980 120.400 0.244 0.000 2.648 222 D HA 0.119 4.761 4.640 0.003 0.000 0.229 222 D C 0.157 176.578 176.300 0.202 0.000 1.119 222 D CA 0.983 55.099 54.000 0.195 0.000 0.850 222 D CB 1.181 42.092 40.800 0.184 0.000 1.169 222 D HN 0.122 nan 8.370 nan 0.000 0.489 223 V N -1.380 118.626 119.914 0.154 0.000 3.181 223 V HA 0.943 5.065 4.120 0.003 0.000 0.307 223 V C -1.247 174.896 176.094 0.081 0.000 1.310 223 V CA -1.079 61.293 62.300 0.121 0.000 1.067 223 V CB 1.866 33.752 31.823 0.104 0.000 1.081 223 V HN 0.602 nan 8.190 nan 0.000 0.453 224 A N 1.026 123.866 122.820 0.034 0.000 2.455 224 A HA 0.878 5.200 4.320 0.003 0.000 0.300 224 A C -1.059 176.501 177.584 -0.041 0.000 1.040 224 A CA -0.593 51.456 52.037 0.020 0.000 0.697 224 A CB 1.343 20.350 19.000 0.011 0.000 1.265 224 A HN 1.036 nan 8.150 nan 0.000 0.407 225 I N 2.471 123.038 120.570 -0.005 0.000 2.322 225 I HA 0.265 4.437 4.170 0.003 0.000 0.292 225 I C -0.789 175.311 176.117 -0.029 0.000 1.060 225 I CA 0.058 61.347 61.300 -0.018 0.000 1.309 225 I CB 0.565 38.576 38.000 0.017 0.000 1.415 225 I HN 0.401 nan 8.210 nan 0.000 0.492 226 I N 5.875 126.393 120.570 -0.086 0.000 2.355 226 I HA 0.516 4.688 4.170 0.003 0.000 0.288 226 I C 0.833 176.919 176.117 -0.051 0.000 0.999 226 I CA -0.069 61.117 61.300 -0.191 0.000 1.163 226 I CB 1.375 39.118 38.000 -0.429 0.000 1.316 226 I HN 0.759 nan 8.210 nan 0.000 0.454 227 G N 3.718 112.463 108.800 -0.090 0.000 2.135 227 G HA2 -0.178 3.784 3.960 0.003 0.000 0.183 227 G HA3 -0.178 3.784 3.960 0.003 0.000 0.183 227 G C -0.269 174.723 174.900 0.153 0.000 1.004 227 G CA -0.409 44.705 45.100 0.024 0.000 0.677 227 G HN 0.558 nan 8.290 nan 0.000 0.512 228 D N -0.223 120.169 120.400 -0.013 0.000 2.454 228 D HA 0.483 5.125 4.640 0.003 0.000 0.247 228 D C 0.573 176.827 176.300 -0.077 0.000 1.129 228 D CA -0.771 53.302 54.000 0.121 0.000 0.877 228 D CB 0.405 41.269 40.800 0.107 0.000 1.082 228 D HN 0.139 nan 8.370 nan 0.000 0.537 229 Y N 2.308 122.613 120.300 0.008 0.000 2.477 229 Y HA 0.045 4.596 4.550 0.003 0.000 0.303 229 Y C 1.379 177.199 175.900 -0.134 0.000 1.202 229 Y CA -0.252 57.805 58.100 -0.073 0.000 1.282 229 Y CB -0.559 37.845 38.460 -0.093 0.000 1.071 229 Y HN 0.426 nan 8.280 nan 0.000 0.510 230 N N 1.031 119.704 118.700 -0.045 0.000 2.725 230 N HA -0.263 4.478 4.740 0.003 0.000 0.251 230 N C -0.694 174.717 175.510 -0.165 0.000 1.031 230 N CA 0.264 53.203 53.050 -0.185 0.000 0.720 230 N CB -1.460 36.810 38.487 -0.362 0.000 0.930 230 N HN 0.470 nan 8.380 nan 0.000 0.543 231 I N 0.204 120.701 120.570 -0.121 0.000 2.578 231 I HA 0.142 4.314 4.170 0.003 0.000 0.286 231 I C 1.784 177.889 176.117 -0.020 0.000 1.126 231 I CA 1.057 62.263 61.300 -0.156 0.000 1.380 231 I CB -0.213 37.627 38.000 -0.267 0.000 1.408 231 I HN 0.564 nan 8.210 nan 0.000 0.532 232 G N 4.679 113.450 108.800 -0.047 0.000 2.234 232 G HA2 -0.260 3.702 3.960 0.003 0.000 0.260 232 G HA3 -0.260 3.702 3.960 0.003 0.000 0.260 232 G C 0.926 176.101 174.900 0.459 0.000 0.987 232 G CA 0.135 45.435 45.100 0.334 0.000 0.625 232 G HN 1.388 nan 8.290 nan 0.000 0.532 233 G N -0.597 108.310 108.800 0.178 0.000 2.273 233 G HA2 -0.114 3.848 3.960 0.003 0.000 0.162 233 G HA3 -0.114 3.848 3.960 0.003 0.000 0.162 233 G C 0.665 175.584 174.900 0.031 0.000 1.006 233 G CA 0.792 45.945 45.100 0.087 0.000 0.704 233 G HN 0.588 nan 8.290 nan 0.000 0.487 234 D N 1.291 121.652 120.400 -0.065 0.000 2.172 234 D HA -0.158 4.484 4.640 0.003 0.000 0.196 234 D C 2.522 178.820 176.300 -0.002 0.000 0.999 234 D CA 1.728 55.626 54.000 -0.169 0.000 0.856 234 D CB -0.392 39.896 40.800 -0.853 0.000 0.934 234 D HN 0.701 nan 8.370 nan 0.000 0.453 235 A N 0.647 123.419 122.820 -0.080 0.000 1.930 235 A HA -0.129 4.192 4.320 0.003 0.000 0.217 235 A C 1.976 179.640 177.584 0.133 0.000 1.175 235 A CA 0.737 52.762 52.037 -0.019 0.000 0.627 235 A CB -0.717 18.182 19.000 -0.167 0.000 0.815 235 A HN 0.217 nan 8.150 nan 0.000 0.443 236 W N -0.456 120.912 121.300 0.112 0.000 2.453 236 W HA 0.064 4.725 4.660 0.002 0.000 0.289 236 W C 2.673 179.254 176.519 0.104 0.000 1.215 236 W CA 0.678 58.084 57.345 0.102 0.000 1.297 236 W CB -1.313 28.204 29.460 0.094 0.000 1.113 236 W HN 0.409 nan 8.180 nan 0.000 0.551 237 S N -0.346 115.551 115.700 0.327 0.000 2.507 237 S HA -0.092 4.379 4.470 0.003 0.000 0.235 237 S C 1.740 176.470 174.600 0.216 0.000 0.988 237 S CA 1.688 60.026 58.200 0.229 0.000 0.944 237 S CB 0.011 63.317 63.200 0.177 0.000 0.762 237 S HN 0.052 nan 8.310 nan 0.000 0.526 238 S N 0.272 116.134 115.700 0.271 0.000 2.545 238 S HA 0.251 4.723 4.470 0.003 0.000 0.232 238 S C 1.700 176.457 174.600 0.262 0.000 1.070 238 S CA -0.346 58.071 58.200 0.361 0.000 0.923 238 S CB -0.213 63.201 63.200 0.357 0.000 0.806 238 S HN 0.438 nan 8.310 nan 0.000 0.506 239 R N 1.156 121.786 120.500 0.217 0.000 2.200 239 R HA -0.038 4.303 4.340 0.003 0.000 0.234 239 R C 2.023 178.419 176.300 0.159 0.000 1.127 239 R CA 0.923 57.130 56.100 0.177 0.000 0.989 239 R CB -0.376 30.063 30.300 0.233 0.000 0.869 239 R HN 0.436 nan 8.270 nan 0.000 0.459 240 I N 0.433 121.108 120.570 0.176 0.000 2.233 240 I HA -0.229 3.943 4.170 0.003 0.000 0.243 240 I C 2.006 178.200 176.117 0.129 0.000 1.093 240 I CA 1.098 62.482 61.300 0.141 0.000 1.380 240 I CB 0.013 38.099 38.000 0.144 0.000 1.067 240 I HN 0.132 nan 8.210 nan 0.000 0.413 241 L N -0.078 121.229 121.223 0.141 0.000 1.994 241 L HA -0.230 4.111 4.340 0.003 0.000 0.208 241 L C 2.574 179.516 176.870 0.120 0.000 1.071 241 L CA 1.537 56.456 54.840 0.132 0.000 0.745 241 L CB -0.771 41.361 42.059 0.122 0.000 0.892 241 L HN 0.297 nan 8.230 nan 0.000 0.431 242 L N -0.445 120.852 121.223 0.123 0.000 1.990 242 L HA -0.275 4.067 4.340 0.003 0.000 0.213 242 L C 2.599 179.468 176.870 -0.002 0.000 1.072 242 L CA 1.608 56.467 54.840 0.032 0.000 0.755 242 L CB -0.711 41.342 42.059 -0.010 0.000 0.889 242 L HN 0.345 nan 8.230 nan 0.000 0.432 243 E N -0.060 120.158 120.200 0.030 0.000 2.153 243 E HA -0.208 4.144 4.350 0.003 0.000 0.194 243 E C 1.844 178.452 176.600 0.014 0.000 0.988 243 E CA 0.956 57.367 56.400 0.019 0.000 0.811 243 E CB -0.052 29.675 29.700 0.044 0.000 0.746 243 E HN 0.572 nan 8.360 nan 0.000 0.466 244 E N -0.025 120.200 120.200 0.043 0.000 2.511 244 E HA -0.024 4.327 4.350 0.003 0.000 0.196 244 E C 1.608 178.218 176.600 0.018 0.000 1.066 244 E CA 0.133 56.561 56.400 0.047 0.000 0.871 244 E CB 0.115 29.881 29.700 0.110 0.000 0.863 244 E HN 0.188 nan 8.360 nan 0.000 0.520 245 M N -1.026 118.566 119.600 -0.013 0.000 2.371 245 M HA 0.135 4.617 4.480 0.003 0.000 0.246 245 M C 0.976 177.188 176.300 -0.146 0.000 1.103 245 M CA 0.778 56.044 55.300 -0.058 0.000 1.010 245 M CB 0.744 33.313 32.600 -0.051 0.000 1.457 245 M HN 0.201 nan 8.290 nan 0.000 0.486 246 G N 1.318 110.039 108.800 -0.133 0.000 2.258 246 G HA2 -0.234 3.727 3.960 0.003 0.000 0.233 246 G HA3 -0.234 3.727 3.960 0.003 0.000 0.233 246 G C 0.074 174.828 174.900 -0.242 0.000 1.006 246 G CA 0.091 45.073 45.100 -0.196 0.000 0.620 246 G HN 0.416 nan 8.290 nan 0.000 0.511 247 L N 0.625 121.683 121.223 -0.276 0.000 2.482 247 L HA 0.378 4.720 4.340 0.003 0.000 0.273 247 L C 1.214 178.056 176.870 -0.047 0.000 1.228 247 L CA -0.091 54.605 54.840 -0.241 0.000 0.827 247 L CB 0.480 42.353 42.059 -0.310 0.000 1.099 247 L HN 0.356 nan 8.230 nan 0.000 0.494 248 R N 2.040 122.571 120.500 0.052 0.000 2.247 248 R HA 0.232 4.574 4.340 0.003 0.000 0.329 248 R C -0.728 175.621 176.300 0.082 0.000 1.014 248 R CA -0.541 55.608 56.100 0.081 0.000 0.907 248 R CB 0.761 31.131 30.300 0.118 0.000 1.146 248 R HN 0.701 nan 8.270 nan 0.000 0.499 249 C N 6.001 125.342 119.300 0.068 0.000 2.610 249 C HA 0.177 4.639 4.460 0.003 0.000 0.382 249 C C 1.317 176.375 174.990 0.113 0.000 1.287 249 C CA -0.442 58.624 59.018 0.080 0.000 1.640 249 C CB -0.775 27.012 27.740 0.079 0.000 2.335 249 C HN 0.857 nan 8.230 nan 0.000 0.577 250 V N 5.665 125.659 119.914 0.133 0.000 2.575 250 V HA 0.271 4.393 4.120 0.003 0.000 0.242 250 V C 1.380 177.575 176.094 0.169 0.000 1.045 250 V CA 1.525 63.929 62.300 0.174 0.000 1.065 250 V CB -0.552 31.400 31.823 0.215 0.000 0.717 250 V HN 1.032 nan 8.190 nan 0.000 0.467 251 A N -0.537 122.381 122.820 0.164 0.000 2.469 251 A HA 0.807 5.128 4.320 0.003 0.000 0.299 251 A C -0.949 176.767 177.584 0.220 0.000 1.098 251 A CA -0.473 51.690 52.037 0.209 0.000 0.737 251 A CB 1.977 21.161 19.000 0.306 0.000 1.312 251 A HN 0.244 nan 8.150 nan 0.000 0.414 252 Q N 0.386 120.336 119.800 0.250 0.000 2.275 252 Q HA 0.366 4.708 4.340 0.003 0.000 0.266 252 Q C -2.106 174.036 176.000 0.238 0.000 1.002 252 Q CA -0.247 55.675 55.803 0.197 0.000 0.761 252 Q CB 1.626 30.438 28.738 0.124 0.000 1.255 252 Q HN 0.705 nan 8.270 nan 0.000 0.446 253 W N 2.284 123.480 121.300 -0.173 0.000 2.342 253 W HA 0.354 5.018 4.660 0.007 0.000 0.310 253 W C -0.084 176.174 176.519 -0.435 0.000 1.128 253 W CA -0.394 56.791 57.345 -0.265 0.000 1.322 253 W CB 0.974 30.279 29.460 -0.258 0.000 1.251 253 W HN 0.616 nan 8.180 nan 0.000 0.439 254 S N 2.557 118.093 115.700 -0.273 0.000 3.471 254 S HA 0.234 4.706 4.470 0.003 0.000 0.577 254 S C 0.007 174.417 174.600 -0.316 0.000 0.626 254 S CA 0.927 58.919 58.200 -0.347 0.000 1.399 254 S CB -1.336 61.559 63.200 -0.508 0.000 0.984 254 S HN 1.416 nan 8.310 nan 0.000 0.905 255 G N 2.066 110.769 108.800 -0.161 0.000 2.299 255 G HA2 0.428 4.389 3.960 0.003 0.000 0.219 255 G HA3 0.428 4.389 3.960 0.003 0.000 0.219 255 G C -0.398 174.456 174.900 -0.077 0.000 2.786 255 G CA 0.296 45.313 45.100 -0.137 0.000 1.025 255 G HN 1.024 nan 8.290 nan 0.000 0.582 256 D N -1.122 119.288 120.400 0.016 0.000 3.041 256 D HA -0.116 4.526 4.640 0.003 0.000 0.220 256 D C 1.218 177.606 176.300 0.147 0.000 1.157 256 D CA 2.504 56.615 54.000 0.184 0.000 0.876 256 D CB -0.991 39.987 40.800 0.297 0.000 1.107 256 D HN 1.568 nan 8.370 nan 0.000 0.422 257 G N -0.492 108.333 108.800 0.042 0.000 2.594 257 G HA2 0.454 4.415 3.960 0.003 0.000 0.243 257 G HA3 0.454 4.415 3.960 0.003 0.000 0.243 257 G C -0.070 174.848 174.900 0.030 0.000 1.229 257 G CA 0.384 45.486 45.100 0.002 0.000 0.843 257 G HN 0.271 nan 8.290 nan 0.000 0.578 258 S N 0.397 116.102 115.700 0.009 0.000 2.503 258 S HA 0.271 4.743 4.470 0.003 0.000 0.301 258 S C 1.289 175.867 174.600 -0.036 0.000 1.087 258 S CA -0.677 57.540 58.200 0.028 0.000 1.042 258 S CB 2.014 65.246 63.200 0.055 0.000 1.043 258 S HN 0.598 nan 8.310 nan 0.000 0.489 259 I N 2.296 122.861 120.570 -0.009 0.000 2.361 259 I HA -0.224 3.947 4.170 0.003 0.000 0.251 259 I C 2.207 178.289 176.117 -0.058 0.000 1.133 259 I CA 1.769 63.048 61.300 -0.035 0.000 1.413 259 I CB -0.133 37.879 38.000 0.019 0.000 1.073 259 I HN 0.799 nan 8.210 nan 0.000 0.424 260 S N -0.403 115.284 115.700 -0.021 0.000 2.387 260 S HA -0.229 4.243 4.470 0.003 0.000 0.226 260 S C 1.918 176.495 174.600 -0.039 0.000 1.026 260 S CA 1.130 59.319 58.200 -0.018 0.000 0.972 260 S CB -0.537 62.675 63.200 0.021 0.000 0.814 260 S HN 0.585 nan 8.310 nan 0.000 0.477 261 E N 0.687 120.874 120.200 -0.023 0.000 2.118 261 E HA -0.136 4.216 4.350 0.003 0.000 0.195 261 E C 1.708 178.279 176.600 -0.047 0.000 0.992 261 E CA 1.390 57.790 56.400 0.001 0.000 0.804 261 E CB -0.127 29.590 29.700 0.029 0.000 0.741 261 E HN 0.484 nan 8.360 nan 0.000 0.458 262 I N 1.031 121.467 120.570 -0.224 0.000 2.439 262 I HA -0.174 3.998 4.170 0.003 0.000 0.251 262 I C 1.779 177.790 176.117 -0.176 0.000 1.139 262 I CA 1.281 62.285 61.300 -0.494 0.000 1.438 262 I CB -0.921 36.596 38.000 -0.805 0.000 1.085 262 I HN 0.158 nan 8.210 nan 0.000 0.427 263 E N 0.489 120.616 120.200 -0.122 0.000 2.482 263 E HA -0.029 4.323 4.350 0.003 0.000 0.196 263 E C 1.688 178.212 176.600 -0.127 0.000 1.047 263 E CA 0.356 56.706 56.400 -0.082 0.000 0.869 263 E CB 0.112 29.771 29.700 -0.069 0.000 0.836 263 E HN 0.468 nan 8.360 nan 0.000 0.520 264 L N -0.155 120.988 121.223 -0.132 0.000 2.693 264 L HA 0.105 4.447 4.340 0.003 0.000 0.235 264 L C 1.721 178.503 176.870 -0.147 0.000 1.127 264 L CA 0.058 54.724 54.840 -0.290 0.000 0.914 264 L CB 0.267 42.085 42.059 -0.402 0.000 1.193 264 L HN 0.041 nan 8.230 nan 0.000 0.502 265 T N 0.468 115.049 114.554 0.045 0.000 2.788 265 T HA -0.084 4.268 4.350 0.003 0.000 0.268 265 T C -0.580 174.087 174.700 -0.054 0.000 1.044 265 T CA 1.182 63.351 62.100 0.115 0.000 1.139 265 T CB -0.822 68.298 68.868 0.421 0.000 0.867 265 T HN 0.158 nan 8.240 nan 0.000 0.454 266 P HA -0.078 nan 4.420 nan 0.000 0.219 266 P C 0.933 178.046 177.300 -0.312 0.000 1.146 266 P CA 1.154 63.962 63.100 -0.488 0.000 0.808 266 P CB -0.131 30.929 31.700 -1.067 0.000 0.779 267 K N -1.005 119.259 120.400 -0.226 0.000 2.446 267 K HA 0.183 4.504 4.320 0.003 0.000 0.203 267 K C 0.645 177.253 176.600 0.013 0.000 1.027 267 K CA -0.008 56.215 56.287 -0.107 0.000 1.166 267 K CB -0.214 32.207 32.500 -0.132 0.000 0.869 267 K HN 0.076 nan 8.250 nan 0.000 0.504 268 V N -1.555 118.366 119.914 0.011 0.000 3.134 268 V HA 0.265 4.386 4.120 0.003 0.000 0.313 268 V C 0.839 176.977 176.094 0.074 0.000 1.069 268 V CA -0.823 61.522 62.300 0.075 0.000 1.048 268 V CB 1.589 33.455 31.823 0.072 0.000 1.119 268 V HN -0.056 nan 8.190 nan 0.000 0.461 269 K N 0.522 120.990 120.400 0.112 0.000 2.323 269 K HA 0.412 4.734 4.320 0.003 0.000 0.197 269 K C -0.239 176.401 176.600 0.067 0.000 1.043 269 K CA 0.577 56.918 56.287 0.091 0.000 0.997 269 K CB 0.183 32.769 32.500 0.143 0.000 0.807 269 K HN 0.632 nan 8.250 nan 0.000 0.497 270 L N 0.373 121.666 121.223 0.118 0.000 2.513 270 L HA 0.304 4.646 4.340 0.003 0.000 0.261 270 L C -1.811 175.113 176.870 0.089 0.000 0.945 270 L CA -0.355 54.546 54.840 0.101 0.000 0.848 270 L CB 2.053 44.201 42.059 0.148 0.000 1.334 270 L HN -0.047 nan 8.230 nan 0.000 0.407 271 N N 4.876 123.624 118.700 0.081 0.000 2.437 271 N HA 0.557 5.299 4.740 0.003 0.000 0.259 271 N C -1.281 174.277 175.510 0.080 0.000 0.983 271 N CA -0.565 52.505 53.050 0.033 0.000 0.937 271 N CB 1.116 39.602 38.487 -0.002 0.000 1.122 271 N HN 0.467 nan 8.380 nan 0.000 0.499 272 L N 3.270 124.497 121.223 0.006 0.000 2.264 272 L HA 0.439 4.781 4.340 0.003 0.000 0.289 272 L C -0.504 176.448 176.870 0.136 0.000 1.044 272 L CA -0.813 54.023 54.840 -0.006 0.000 0.807 272 L CB 1.167 43.058 42.059 -0.281 0.000 1.192 272 L HN 0.185 nan 8.230 nan 0.000 0.425 273 V N 2.302 122.415 119.914 0.332 0.000 2.409 273 V HA 0.160 4.282 4.120 0.003 0.000 0.291 273 V C 0.247 176.573 176.094 0.386 0.000 1.020 273 V CA -0.505 61.998 62.300 0.339 0.000 0.848 273 V CB 1.423 33.451 31.823 0.342 0.000 0.990 273 V HN 0.712 nan 8.190 nan 0.000 0.430 274 H N 2.599 121.752 119.070 0.137 0.000 2.476 274 H HA 0.196 4.753 4.556 0.001 0.000 0.292 274 H C 1.051 176.420 175.328 0.068 0.000 1.019 274 H CA 0.728 56.653 56.048 -0.206 0.000 1.330 274 H CB 0.478 30.011 29.762 -0.381 0.000 1.451 274 H HN 0.639 nan 8.280 nan 0.000 0.535 275 C N 2.041 121.424 119.300 0.140 0.000 2.135 275 C HA 0.138 4.600 4.460 0.003 0.000 0.345 275 C C 1.090 176.112 174.990 0.053 0.000 1.067 275 C CA -0.641 58.438 59.018 0.101 0.000 1.517 275 C CB -2.316 25.536 27.740 0.187 0.000 1.923 275 C HN 0.700 nan 8.230 nan 0.000 0.466 276 Y N 3.978 124.246 120.300 -0.052 0.000 2.583 276 Y HA 0.112 4.666 4.550 0.006 0.000 0.293 276 Y C 2.109 177.905 175.900 -0.174 0.000 1.157 276 Y CA 1.157 59.216 58.100 -0.068 0.000 1.315 276 Y CB -0.371 38.065 38.460 -0.040 0.000 1.021 276 Y HN 0.688 nan 8.280 nan 0.000 0.536 277 R N -1.043 119.238 120.500 -0.364 0.000 2.206 277 R HA 0.169 4.511 4.340 0.003 0.000 0.198 277 R C 1.865 177.959 176.300 -0.344 0.000 0.986 277 R CA 1.316 57.166 56.100 -0.416 0.000 1.029 277 R CB -0.260 29.972 30.300 -0.114 0.000 0.966 277 R HN 0.145 nan 8.270 nan 0.000 0.487 278 S N -0.602 114.938 115.700 -0.265 0.000 2.452 278 S HA 0.141 4.613 4.470 0.003 0.000 0.225 278 S C 0.937 175.327 174.600 -0.349 0.000 1.057 278 S CA 0.614 58.645 58.200 -0.281 0.000 0.949 278 S CB 0.200 63.226 63.200 -0.290 0.000 0.836 278 S HN 0.157 nan 8.310 nan 0.000 0.518 279 M N 2.362 121.776 119.600 -0.311 0.000 2.475 279 M HA 0.247 4.729 4.480 0.003 0.000 0.261 279 M C 1.098 177.098 176.300 -0.499 0.000 1.177 279 M CA -0.131 54.977 55.300 -0.321 0.000 0.979 279 M CB -0.369 32.095 32.600 -0.226 0.000 1.482 279 M HN 0.413 nan 8.290 nan 0.000 0.484 280 N N -0.654 117.634 118.700 -0.686 0.000 2.142 280 N HA -0.204 4.537 4.740 0.003 0.000 0.186 280 N C 1.338 176.474 175.510 -0.623 0.000 1.023 280 N CA 1.285 53.927 53.050 -0.679 0.000 0.852 280 N CB -0.487 37.547 38.487 -0.754 0.000 0.998 280 N HN 0.413 nan 8.380 nan 0.000 0.424 281 Y N 1.066 121.135 120.300 -0.385 0.000 2.070 281 Y HA -0.165 4.387 4.550 0.004 0.000 0.280 281 Y C 2.654 178.378 175.900 -0.295 0.000 1.148 281 Y CA 0.750 58.621 58.100 -0.382 0.000 1.125 281 Y CB -0.383 37.692 38.460 -0.642 0.000 0.975 281 Y HN 0.067 nan 8.280 nan 0.000 0.492 282 I N -0.231 120.266 120.570 -0.121 0.000 2.226 282 I HA -0.304 3.867 4.170 0.003 0.000 0.245 282 I C 2.111 178.088 176.117 -0.233 0.000 1.100 282 I CA 1.435 62.682 61.300 -0.089 0.000 1.374 282 I CB -0.222 37.765 38.000 -0.021 0.000 1.057 282 I HN 0.113 nan 8.210 nan 0.000 0.413 283 S N 0.599 115.987 115.700 -0.521 0.000 2.493 283 S HA -0.132 4.340 4.470 0.003 0.000 0.243 283 S C 1.825 175.935 174.600 -0.817 0.000 0.991 283 S CA 0.957 58.673 58.200 -0.806 0.000 0.957 283 S CB -0.327 62.072 63.200 -1.335 0.000 0.756 283 S HN 0.507 nan 8.310 nan 0.000 0.521 284 R N -0.167 120.037 120.500 -0.493 0.000 2.105 284 R HA 0.089 4.431 4.340 0.003 0.000 0.214 284 R C 2.185 178.452 176.300 -0.054 0.000 1.091 284 R CA 1.020 57.006 56.100 -0.189 0.000 1.007 284 R CB -0.440 29.832 30.300 -0.046 0.000 0.912 284 R HN 0.499 nan 8.270 nan 0.000 0.450 285 H N 0.680 119.696 119.070 -0.091 0.000 2.423 285 H HA 0.031 4.589 4.556 0.003 0.000 0.297 285 H C 1.992 177.300 175.328 -0.033 0.000 1.075 285 H CA 1.299 57.320 56.048 -0.046 0.000 1.342 285 H CB 0.177 29.928 29.762 -0.018 0.000 1.395 285 H HN -0.048 nan 8.280 nan 0.000 0.530 286 M N 0.329 119.951 119.600 0.037 0.000 2.202 286 M HA -0.139 4.342 4.480 0.003 0.000 0.262 286 M C 2.058 178.386 176.300 0.045 0.000 1.063 286 M CA 1.561 56.909 55.300 0.081 0.000 1.097 286 M CB -0.447 32.115 32.600 -0.064 0.000 1.382 286 M HN 0.581 nan 8.290 nan 0.000 0.413 287 E N -0.814 119.378 120.200 -0.014 0.000 2.251 287 E HA -0.110 4.242 4.350 0.003 0.000 0.194 287 E C 1.506 178.097 176.600 -0.014 0.000 0.964 287 E CA 0.349 56.776 56.400 0.046 0.000 0.868 287 E CB 0.423 30.218 29.700 0.159 0.000 0.828 287 E HN 0.330 nan 8.360 nan 0.000 0.481 288 E N 0.467 120.614 120.200 -0.088 0.000 2.230 288 E HA -0.059 4.292 4.350 0.003 0.000 0.192 288 E C 1.759 178.229 176.600 -0.217 0.000 0.987 288 E CA 0.610 56.944 56.400 -0.110 0.000 0.841 288 E CB 0.295 29.949 29.700 -0.077 0.000 0.783 288 E HN -0.075 nan 8.360 nan 0.000 0.481 289 K N -0.609 119.529 120.400 -0.435 0.000 2.078 289 K HA -0.026 4.295 4.320 0.003 0.000 0.203 289 K C 1.457 177.775 176.600 -0.470 0.000 1.043 289 K CA 1.145 57.077 56.287 -0.591 0.000 0.960 289 K CB -0.134 31.678 32.500 -1.147 0.000 0.761 289 K HN 0.259 nan 8.250 nan 0.000 0.448 290 Y N -0.402 119.812 120.300 -0.144 0.000 2.476 290 Y HA 0.161 4.712 4.550 0.002 0.000 0.283 290 Y C 1.073 176.951 175.900 -0.036 0.000 1.109 290 Y CA 0.330 58.394 58.100 -0.061 0.000 1.246 290 Y CB 0.512 38.953 38.460 -0.032 0.000 1.068 290 Y HN 0.352 nan 8.280 nan 0.000 0.552 291 G N 1.813 110.665 108.800 0.087 0.000 2.341 291 G HA2 -0.261 3.700 3.960 0.003 0.000 0.278 291 G HA3 -0.261 3.700 3.960 0.003 0.000 0.278 291 G C -0.580 174.370 174.900 0.083 0.000 1.111 291 G CA -0.090 45.050 45.100 0.065 0.000 0.982 291 G HN 0.344 nan 8.290 nan 0.000 0.502 292 I N 0.464 121.095 120.570 0.102 0.000 2.437 292 I HA 0.265 4.437 4.170 0.003 0.000 0.279 292 I C -2.124 174.073 176.117 0.133 0.000 1.028 292 I CA -2.437 58.919 61.300 0.092 0.000 1.142 292 I CB 1.960 40.007 38.000 0.079 0.000 1.266 292 I HN -0.097 nan 8.210 nan 0.000 0.461 293 P HA -0.062 nan 4.420 nan 0.000 0.266 293 P C -1.065 176.358 177.300 0.206 0.000 1.186 293 P CA 0.299 63.474 63.100 0.124 0.000 0.767 293 P CB 0.343 32.044 31.700 0.001 0.000 0.820 294 W N 3.343 124.619 121.300 -0.040 0.000 3.031 294 W HA 0.705 5.372 4.660 0.012 0.000 0.337 294 W C -1.540 174.963 176.519 -0.028 0.000 1.187 294 W CA -1.247 56.074 57.345 -0.039 0.000 1.166 294 W CB 0.547 29.979 29.460 -0.046 0.000 1.437 294 W HN 0.354 nan 8.180 nan 0.000 0.551 295 M N 0.383 119.992 119.600 0.015 0.000 2.618 295 M HA 0.634 5.116 4.480 0.003 0.000 0.281 295 M C -1.502 174.829 176.300 0.051 0.000 1.267 295 M CA -0.718 54.480 55.300 -0.169 0.000 0.845 295 M CB 3.221 35.759 32.600 -0.104 0.000 1.732 295 M HN 0.414 nan 8.290 nan 0.000 0.461 296 E N 1.261 121.445 120.200 -0.028 0.000 2.191 296 E HA 0.561 4.913 4.350 0.003 0.000 0.278 296 E C -1.755 174.949 176.600 0.173 0.000 0.972 296 E CA -0.599 55.857 56.400 0.093 0.000 0.804 296 E CB 1.792 31.454 29.700 -0.063 0.000 1.110 296 E HN 0.638 nan 8.360 nan 0.000 0.394 297 Y N 0.411 120.747 120.300 0.060 0.000 2.698 297 Y HA 0.578 5.129 4.550 0.001 0.000 0.332 297 Y C -1.274 174.733 175.900 0.179 0.000 1.119 297 Y CA -1.219 56.915 58.100 0.057 0.000 1.109 297 Y CB 1.757 40.170 38.460 -0.078 0.000 1.308 297 Y HN 0.470 nan 8.280 nan 0.000 0.499 298 N N 0.899 119.605 118.700 0.010 0.000 2.478 298 N HA 0.308 5.049 4.740 0.003 0.000 0.291 298 N C -1.946 173.671 175.510 0.178 0.000 1.090 298 N CA -0.618 52.386 53.050 -0.076 0.000 0.911 298 N CB 1.212 39.811 38.487 0.187 0.000 1.546 298 N HN 0.833 nan 8.380 nan 0.000 0.500 299 F N 2.825 122.555 119.950 -0.367 0.000 2.850 299 F HA 0.351 4.877 4.527 -0.001 0.000 0.306 299 F C -0.538 174.947 175.800 -0.525 0.000 1.162 299 F CA -0.637 57.101 58.000 -0.437 0.000 1.327 299 F CB 0.425 39.145 39.000 -0.468 0.000 0.953 299 F HN 0.382 nan 8.300 nan 0.000 0.507 300 F N 1.312 121.164 119.950 -0.163 0.000 2.368 300 F HA 0.509 5.037 4.527 0.001 0.000 0.362 300 F C 0.780 176.411 175.800 -0.280 0.000 1.137 300 F CA -0.228 57.656 58.000 -0.195 0.000 1.161 300 F CB 0.439 39.353 39.000 -0.144 0.000 1.265 300 F HN 0.169 nan 8.300 nan 0.000 0.530 301 G N 4.573 113.244 108.800 -0.215 0.000 2.730 301 G HA2 -0.176 3.785 3.960 0.003 0.000 0.686 301 G HA3 -0.176 3.785 3.960 0.003 0.000 0.686 301 G C -2.458 171.950 174.900 -0.819 0.000 1.343 301 G CA -1.303 43.526 45.100 -0.451 0.000 0.826 301 G HN 0.402 nan 8.290 nan 0.000 0.582 302 P HA -0.154 nan 4.420 nan 0.000 0.211 302 P C 2.182 178.937 177.300 -0.909 0.000 1.181 302 P CA 2.937 65.226 63.100 -1.351 0.000 0.929 302 P CB -0.084 30.409 31.700 -2.011 0.000 0.789 303 T N -1.232 112.891 114.554 -0.719 0.000 2.849 303 T HA -0.169 4.183 4.350 0.003 0.000 0.270 303 T C 1.706 176.247 174.700 -0.265 0.000 1.066 303 T CA 1.404 63.262 62.100 -0.404 0.000 1.130 303 T CB -0.499 68.201 68.868 -0.280 0.000 0.864 303 T HN -0.085 nan 8.240 nan 0.000 0.481 304 K N 0.328 120.565 120.400 -0.273 0.000 2.044 304 K HA 0.070 4.392 4.320 0.003 0.000 0.204 304 K C 2.580 179.107 176.600 -0.121 0.000 1.045 304 K CA 1.536 57.747 56.287 -0.126 0.000 0.951 304 K CB -1.093 31.375 32.500 -0.053 0.000 0.738 304 K HN 0.357 nan 8.250 nan 0.000 0.443 305 T N 2.779 117.128 114.554 -0.343 0.000 2.652 305 T HA -0.089 4.263 4.350 0.003 0.000 0.267 305 T C 2.135 176.624 174.700 -0.351 0.000 1.039 305 T CA 1.262 63.027 62.100 -0.558 0.000 1.153 305 T CB -0.306 67.770 68.868 -1.320 0.000 0.863 305 T HN 0.091 nan 8.240 nan 0.000 0.428 306 I N 0.992 121.361 120.570 -0.335 0.000 2.118 306 I HA -0.258 3.914 4.170 0.003 0.000 0.241 306 I C 2.819 178.935 176.117 -0.001 0.000 1.070 306 I CA 1.793 63.062 61.300 -0.051 0.000 1.327 306 I CB -0.467 37.510 38.000 -0.040 0.000 1.034 306 I HN 0.399 nan 8.210 nan 0.000 0.405 307 E N 0.686 120.868 120.200 -0.031 0.000 2.021 307 E HA -0.312 4.040 4.350 0.003 0.000 0.200 307 E C 2.285 178.931 176.600 0.076 0.000 1.015 307 E CA 2.154 58.565 56.400 0.018 0.000 0.824 307 E CB -0.148 29.553 29.700 0.002 0.000 0.762 307 E HN 0.323 nan 8.360 nan 0.000 0.454 308 S N 0.103 115.882 115.700 0.131 0.000 2.374 308 S HA -0.171 4.301 4.470 0.003 0.000 0.227 308 S C 2.099 176.837 174.600 0.231 0.000 1.037 308 S CA 1.330 59.670 58.200 0.234 0.000 1.024 308 S CB -0.469 62.998 63.200 0.445 0.000 0.861 308 S HN 0.399 nan 8.310 nan 0.000 0.456 309 L N 0.331 121.691 121.223 0.228 0.000 2.270 309 L HA -0.168 4.174 4.340 0.003 0.000 0.217 309 L C 2.720 179.661 176.870 0.118 0.000 1.107 309 L CA 1.473 56.422 54.840 0.183 0.000 0.772 309 L CB -0.383 41.758 42.059 0.137 0.000 0.902 309 L HN 0.372 nan 8.230 nan 0.000 0.439 310 R N -1.175 119.387 120.500 0.103 0.000 2.128 310 R HA 0.104 4.445 4.340 0.003 0.000 0.211 310 R C 2.443 178.792 176.300 0.082 0.000 1.067 310 R CA 0.768 56.915 56.100 0.079 0.000 1.010 310 R CB -0.248 30.090 30.300 0.064 0.000 0.922 310 R HN 0.239 nan 8.270 nan 0.000 0.457 311 A N 1.785 124.656 122.820 0.086 0.000 1.858 311 A HA -0.138 4.183 4.320 0.003 0.000 0.216 311 A C 2.078 179.720 177.584 0.097 0.000 1.190 311 A CA 1.289 53.370 52.037 0.074 0.000 0.617 311 A CB -0.585 18.456 19.000 0.069 0.000 0.827 311 A HN 0.170 nan 8.150 nan 0.000 0.443 312 I N -0.214 120.423 120.570 0.111 0.000 2.850 312 I HA -0.223 3.949 4.170 0.003 0.000 0.266 312 I C 2.647 178.926 176.117 0.270 0.000 1.257 312 I CA 0.661 62.058 61.300 0.161 0.000 1.465 312 I CB -0.257 37.777 38.000 0.057 0.000 1.091 312 I HN 0.391 nan 8.210 nan 0.000 0.467 313 A N 0.850 123.773 122.820 0.172 0.000 1.878 313 A HA 0.061 4.382 4.320 0.003 0.000 0.213 313 A C 2.565 180.297 177.584 0.246 0.000 1.192 313 A CA 1.146 53.283 52.037 0.166 0.000 0.619 313 A CB -0.675 18.369 19.000 0.072 0.000 0.837 313 A HN 0.354 nan 8.150 nan 0.000 0.446 314 A N -0.313 122.597 122.820 0.150 0.000 2.076 314 A HA -0.115 4.207 4.320 0.003 0.000 0.220 314 A C 1.700 179.326 177.584 0.069 0.000 1.160 314 A CA 1.588 53.683 52.037 0.096 0.000 0.653 314 A CB -0.298 18.732 19.000 0.049 0.000 0.801 314 A HN 0.268 nan 8.150 nan 0.000 0.455 315 K N -0.926 119.520 120.400 0.077 0.000 2.525 315 K HA 0.191 4.513 4.320 0.003 0.000 0.192 315 K C -0.480 175.836 176.600 -0.472 0.000 1.029 315 K CA 0.292 56.475 56.287 -0.173 0.000 1.029 315 K CB -0.469 31.899 32.500 -0.221 0.000 0.814 315 K HN 0.529 nan 8.250 nan 0.000 0.503 316 F N 0.035 120.002 119.950 0.027 0.000 2.900 316 F HA 0.187 4.712 4.527 -0.003 0.000 0.375 316 F C 0.276 176.105 175.800 0.049 0.000 1.258 316 F CA -1.569 56.465 58.000 0.057 0.000 1.094 316 F CB 0.209 39.241 39.000 0.053 0.000 1.505 316 F HN -0.148 nan 8.300 nan 0.000 0.510 317 D N -0.874 119.702 120.400 0.293 0.000 2.348 317 D HA 0.267 4.908 4.640 0.003 0.000 0.249 317 D C 0.192 176.562 176.300 0.117 0.000 1.110 317 D CA -0.467 53.634 54.000 0.168 0.000 0.967 317 D CB 0.659 41.567 40.800 0.180 0.000 1.139 317 D HN 0.542 nan 8.370 nan 0.000 0.466 318 E N -0.023 120.224 120.200 0.077 0.000 2.160 318 E HA -0.268 4.084 4.350 0.003 0.000 0.195 318 E C 1.713 178.332 176.600 0.031 0.000 0.991 318 E CA 1.155 57.584 56.400 0.049 0.000 0.810 318 E CB -0.117 29.606 29.700 0.038 0.000 0.742 318 E HN 0.449 nan 8.360 nan 0.000 0.466 319 S N 0.889 116.612 115.700 0.038 0.000 2.378 319 S HA -0.208 4.264 4.470 0.003 0.000 0.229 319 S C 1.908 176.479 174.600 -0.050 0.000 1.052 319 S CA 1.564 59.770 58.200 0.009 0.000 1.084 319 S CB -0.183 63.042 63.200 0.043 0.000 0.950 319 S HN 0.219 nan 8.310 nan 0.000 0.440 320 I N 1.563 122.075 120.570 -0.096 0.000 2.394 320 I HA -0.101 4.071 4.170 0.003 0.000 0.251 320 I C 2.600 178.663 176.117 -0.089 0.000 1.136 320 I CA 1.068 62.261 61.300 -0.179 0.000 1.425 320 I CB -1.973 35.844 38.000 -0.305 0.000 1.079 320 I HN 0.485 nan 8.210 nan 0.000 0.425 321 Q N 1.142 120.926 119.800 -0.026 0.000 2.061 321 Q HA -0.243 4.099 4.340 0.003 0.000 0.204 321 Q C 2.310 178.307 176.000 -0.004 0.000 0.984 321 Q CA 1.796 57.600 55.803 0.001 0.000 0.846 321 Q CB -0.240 28.514 28.738 0.026 0.000 0.902 321 Q HN 0.477 nan 8.270 nan 0.000 0.421 322 K N 1.246 121.641 120.400 -0.008 0.000 2.097 322 K HA -0.183 4.139 4.320 0.003 0.000 0.205 322 K C 2.066 178.655 176.600 -0.018 0.000 1.050 322 K CA 1.182 57.464 56.287 -0.008 0.000 0.938 322 K CB 0.034 32.530 32.500 -0.007 0.000 0.718 322 K HN -0.028 nan 8.250 nan 0.000 0.442 323 K N 0.664 121.043 120.400 -0.035 0.000 2.057 323 K HA -0.188 4.134 4.320 0.003 0.000 0.207 323 K C 2.349 178.930 176.600 -0.031 0.000 1.049 323 K CA 1.528 57.789 56.287 -0.044 0.000 0.931 323 K CB -0.361 32.091 32.500 -0.079 0.000 0.714 323 K HN 0.392 nan 8.250 nan 0.000 0.440 324 C N 1.537 120.820 119.300 -0.028 0.000 2.393 324 C HA -0.109 4.352 4.460 0.003 0.000 0.276 324 C C 2.398 177.402 174.990 0.024 0.000 1.215 324 C CA 1.326 60.344 59.018 0.001 0.000 1.743 324 C CB -0.884 26.861 27.740 0.009 0.000 2.044 324 C HN 0.507 nan 8.230 nan 0.000 0.464 325 E N 0.780 120.991 120.200 0.019 0.000 2.147 325 E HA -0.220 4.132 4.350 0.003 0.000 0.199 325 E C 2.038 178.644 176.600 0.010 0.000 1.005 325 E CA 1.843 58.257 56.400 0.024 0.000 0.810 325 E CB -0.632 29.078 29.700 0.016 0.000 0.736 325 E HN 0.783 nan 8.360 nan 0.000 0.460 326 E N 0.047 120.243 120.200 -0.006 0.000 2.118 326 E HA -0.146 4.206 4.350 0.003 0.000 0.195 326 E C 2.212 178.794 176.600 -0.030 0.000 0.992 326 E CA 1.180 57.565 56.400 -0.025 0.000 0.804 326 E CB -0.014 29.668 29.700 -0.031 0.000 0.741 326 E HN 0.054 nan 8.360 nan 0.000 0.458 327 V N 1.426 121.345 119.914 0.009 0.000 2.358 327 V HA -0.250 3.872 4.120 0.003 0.000 0.246 327 V C 2.200 178.327 176.094 0.055 0.000 1.047 327 V CA 1.553 63.888 62.300 0.058 0.000 1.035 327 V CB -0.385 31.511 31.823 0.121 0.000 0.658 327 V HN 0.269 nan 8.190 nan 0.000 0.452 328 I N 0.566 121.170 120.570 0.056 0.000 2.226 328 I HA -0.220 3.951 4.170 0.003 0.000 0.245 328 I C 2.671 178.800 176.117 0.019 0.000 1.100 328 I CA 1.482 62.825 61.300 0.072 0.000 1.374 328 I CB -0.707 37.370 38.000 0.129 0.000 1.057 328 I HN 0.277 nan 8.210 nan 0.000 0.413 329 A N 1.110 123.920 122.820 -0.017 0.000 1.877 329 A HA -0.256 4.066 4.320 0.003 0.000 0.216 329 A C 2.435 179.933 177.584 -0.144 0.000 1.186 329 A CA 1.958 53.959 52.037 -0.061 0.000 0.620 329 A CB -0.577 18.388 19.000 -0.058 0.000 0.822 329 A HN 0.381 nan 8.150 nan 0.000 0.443 330 K N -1.325 118.953 120.400 -0.203 0.000 2.020 330 K HA -0.220 4.102 4.320 0.003 0.000 0.212 330 K C 1.704 178.003 176.600 -0.502 0.000 1.050 330 K CA 2.178 58.239 56.287 -0.376 0.000 0.929 330 K CB -0.395 31.800 32.500 -0.507 0.000 0.714 330 K HN 0.562 nan 8.250 nan 0.000 0.443 331 Y N 0.722 120.818 120.300 -0.340 0.000 2.544 331 Y HA 0.021 4.572 4.550 0.001 0.000 0.286 331 Y C 2.239 177.980 175.900 -0.266 0.000 1.141 331 Y CA 0.645 58.502 58.100 -0.404 0.000 1.299 331 Y CB 0.027 37.846 38.460 -1.069 0.000 1.030 331 Y HN 0.126 nan 8.280 nan 0.000 0.543 332 K N 1.195 121.506 120.400 -0.148 0.000 2.059 332 K HA -0.201 4.121 4.320 0.003 0.000 0.212 332 K C -0.780 175.388 176.600 -0.721 0.000 1.050 332 K CA 1.931 57.984 56.287 -0.390 0.000 0.927 332 K CB -1.021 31.374 32.500 -0.175 0.000 0.714 332 K HN 0.204 nan 8.250 nan 0.000 0.447 333 P HA -0.137 nan 4.420 nan 0.000 0.217 333 P C 0.586 177.729 177.300 -0.263 0.000 1.151 333 P CA 1.455 64.357 63.100 -0.330 0.000 0.828 333 P CB 0.053 31.622 31.700 -0.218 0.000 0.788 334 E N 0.044 120.149 120.200 -0.158 0.000 2.015 334 E HA -0.138 4.214 4.350 0.003 0.000 0.191 334 E C 2.287 178.979 176.600 0.153 0.000 0.991 334 E CA 1.286 57.700 56.400 0.023 0.000 0.802 334 E CB -0.675 29.110 29.700 0.143 0.000 0.759 334 E HN 0.476 nan 8.360 nan 0.000 0.447 335 W N 1.456 122.877 121.300 0.202 0.000 2.402 335 W HA -0.087 4.574 4.660 0.001 0.000 0.286 335 W C 1.176 177.815 176.519 0.200 0.000 1.221 335 W CA 0.628 58.139 57.345 0.276 0.000 1.257 335 W CB -0.465 29.119 29.460 0.208 0.000 1.120 335 W HN 0.034 nan 8.180 nan 0.000 0.551 336 E N 1.413 121.316 120.200 -0.495 0.000 2.051 336 E HA -0.160 4.192 4.350 0.003 0.000 0.192 336 E C 2.691 179.240 176.600 -0.085 0.000 0.991 336 E CA 1.659 57.762 56.400 -0.495 0.000 0.799 336 E CB -0.422 28.837 29.700 -0.735 0.000 0.748 336 E HN 0.284 nan 8.360 nan 0.000 0.449 337 A N 1.070 123.839 122.820 -0.085 0.000 1.892 337 A HA -0.201 4.120 4.320 0.003 0.000 0.218 337 A C 2.529 180.123 177.584 0.016 0.000 1.188 337 A CA 1.576 53.592 52.037 -0.036 0.000 0.631 337 A CB -0.881 18.096 19.000 -0.039 0.000 0.822 337 A HN 0.123 nan 8.150 nan 0.000 0.447 338 V N -0.252 119.749 119.914 0.145 0.000 2.233 338 V HA -0.286 3.836 4.120 0.003 0.000 0.247 338 V C 2.582 178.780 176.094 0.172 0.000 1.050 338 V CA 2.173 64.575 62.300 0.171 0.000 1.010 338 V CB -1.146 30.944 31.823 0.446 0.000 0.637 338 V HN 0.391 nan 8.190 nan 0.000 0.444 339 V N 0.597 120.730 119.914 0.365 0.000 2.252 339 V HA -0.328 3.794 4.120 0.003 0.000 0.249 339 V C 2.722 178.906 176.094 0.150 0.000 1.056 339 V CA 2.277 64.773 62.300 0.326 0.000 1.022 339 V CB -1.432 30.628 31.823 0.395 0.000 0.641 339 V HN 0.586 nan 8.190 nan 0.000 0.445 340 A N -0.629 122.239 122.820 0.081 0.000 2.076 340 A HA -0.259 4.063 4.320 0.003 0.000 0.220 340 A C 2.352 179.913 177.584 -0.038 0.000 1.160 340 A CA 2.191 54.239 52.037 0.017 0.000 0.653 340 A CB -0.423 18.568 19.000 -0.014 0.000 0.801 340 A HN 0.615 nan 8.150 nan 0.000 0.455 341 K N -2.035 118.294 120.400 -0.118 0.000 2.141 341 K HA 0.012 4.334 4.320 0.003 0.000 0.202 341 K C 1.606 178.038 176.600 -0.280 0.000 1.045 341 K CA 0.923 57.043 56.287 -0.277 0.000 0.971 341 K CB -0.138 32.046 32.500 -0.527 0.000 0.795 341 K HN 0.556 nan 8.250 nan 0.000 0.459 342 Y N -0.084 120.232 120.300 0.026 0.000 2.353 342 Y HA 0.129 4.680 4.550 0.002 0.000 0.294 342 Y C 2.471 178.382 175.900 0.019 0.000 1.135 342 Y CA 0.193 58.292 58.100 -0.000 0.000 1.176 342 Y CB -0.064 38.365 38.460 -0.050 0.000 1.124 342 Y HN -0.054 nan 8.280 nan 0.000 0.537 343 R N 0.724 121.351 120.500 0.211 0.000 2.165 343 R HA -0.219 4.123 4.340 0.003 0.000 0.254 343 R C -1.038 175.327 176.300 0.109 0.000 1.153 343 R CA 2.231 58.425 56.100 0.155 0.000 0.971 343 R CB -1.335 29.061 30.300 0.159 0.000 0.878 343 R HN 0.196 nan 8.270 nan 0.000 0.449 344 P HA -0.193 nan 4.420 nan 0.000 0.217 344 P C 0.358 177.698 177.300 0.066 0.000 1.148 344 P CA 1.910 65.048 63.100 0.064 0.000 0.828 344 P CB -0.093 31.634 31.700 0.045 0.000 0.783 345 R N -1.437 119.114 120.500 0.085 0.000 2.173 345 R HA 0.156 4.498 4.340 0.003 0.000 0.208 345 R C 1.878 178.210 176.300 0.054 0.000 1.035 345 R CA 0.720 56.865 56.100 0.074 0.000 1.004 345 R CB -0.669 29.691 30.300 0.100 0.000 0.917 345 R HN 0.184 nan 8.270 nan 0.000 0.462 346 L N 1.321 122.579 121.223 0.059 0.000 2.477 346 L HA 0.156 4.498 4.340 0.003 0.000 0.220 346 L C 0.454 177.356 176.870 0.054 0.000 1.106 346 L CA 0.311 55.173 54.840 0.037 0.000 0.851 346 L CB -0.570 41.498 42.059 0.015 0.000 0.994 346 L HN 0.233 nan 8.230 nan 0.000 0.462 347 E N 0.837 121.075 120.200 0.063 0.000 2.765 347 E HA -0.023 4.328 4.350 0.003 0.000 0.256 347 E C 1.264 177.894 176.600 0.050 0.000 0.935 347 E CA 0.791 57.228 56.400 0.061 0.000 0.954 347 E CB 0.331 30.066 29.700 0.058 0.000 0.908 347 E HN 0.423 nan 8.360 nan 0.000 0.500 348 G N 3.767 112.598 108.800 0.051 0.000 2.412 348 G HA2 -0.334 3.628 3.960 0.003 0.000 0.252 348 G HA3 -0.334 3.628 3.960 0.003 0.000 0.252 348 G C 0.231 175.153 174.900 0.035 0.000 1.038 348 G CA 0.316 45.440 45.100 0.039 0.000 0.628 348 G HN 0.442 nan 8.290 nan 0.000 0.531 349 K N 2.028 122.450 120.400 0.036 0.000 2.472 349 K HA 0.172 4.494 4.320 0.003 0.000 0.280 349 K C 1.110 177.734 176.600 0.039 0.000 1.028 349 K CA 0.352 56.654 56.287 0.026 0.000 1.045 349 K CB 0.368 32.877 32.500 0.016 0.000 0.902 349 K HN 0.619 nan 8.250 nan 0.000 0.478 350 R N 0.791 121.304 120.500 0.020 0.000 2.549 350 R HA 0.537 4.878 4.340 0.003 0.000 0.267 350 R C -0.094 176.210 176.300 0.007 0.000 1.045 350 R CA -0.901 55.209 56.100 0.017 0.000 1.115 350 R CB 0.992 31.293 30.300 0.002 0.000 1.121 350 R HN 0.252 nan 8.270 nan 0.000 0.543 351 V N 1.661 121.564 119.914 -0.018 0.000 3.007 351 V HA 0.477 4.598 4.120 0.003 0.000 0.311 351 V C -1.282 174.754 176.094 -0.097 0.000 1.120 351 V CA -0.943 61.325 62.300 -0.053 0.000 0.980 351 V CB 2.349 34.157 31.823 -0.024 0.000 1.033 351 V HN 0.697 nan 8.190 nan 0.000 0.429 352 M N 5.290 124.845 119.600 -0.075 0.000 2.253 352 M HA 0.680 5.161 4.480 0.003 0.000 0.314 352 M C -1.739 174.552 176.300 -0.015 0.000 1.019 352 M CA -0.242 55.053 55.300 -0.008 0.000 0.932 352 M CB 1.546 34.208 32.600 0.103 0.000 1.606 352 M HN 0.571 nan 8.290 nan 0.000 0.430 353 L N 3.713 124.927 121.223 -0.014 0.000 2.286 353 L HA 0.688 5.029 4.340 0.003 0.000 0.265 353 L C -1.555 175.413 176.870 0.163 0.000 1.012 353 L CA -0.954 53.872 54.840 -0.024 0.000 0.818 353 L CB 2.045 43.984 42.059 -0.200 0.000 1.337 353 L HN 0.660 nan 8.230 nan 0.000 0.438 354 Y N 1.831 122.100 120.300 -0.052 0.000 2.234 354 Y HA 0.499 5.050 4.550 0.003 0.000 0.317 354 Y C -1.413 174.440 175.900 -0.077 0.000 1.220 354 Y CA -0.678 57.412 58.100 -0.017 0.000 1.311 354 Y CB 0.312 38.896 38.460 0.206 0.000 1.266 354 Y HN 0.360 nan 8.280 nan 0.000 0.396 355 I N 1.811 122.000 120.570 -0.635 0.000 4.162 355 I HA 0.604 4.776 4.170 0.003 0.000 0.236 355 I C 1.023 176.831 176.117 -0.515 0.000 1.052 355 I CA -0.533 60.404 61.300 -0.605 0.000 1.457 355 I CB 1.025 38.714 38.000 -0.518 0.000 1.329 355 I HN 0.622 nan 8.210 nan 0.000 0.422 356 G N -0.436 108.170 108.800 -0.323 0.000 2.593 356 G HA2 0.292 4.254 3.960 0.003 0.000 0.212 356 G HA3 0.292 4.254 3.960 0.003 0.000 0.212 356 G C 0.739 175.051 174.900 -0.980 0.000 1.934 356 G CA 0.682 45.446 45.100 -0.560 0.000 0.861 356 G HN 0.702 nan 8.290 nan 0.000 0.629 357 G N -0.974 107.508 108.800 -0.531 0.000 3.979 357 G HA2 0.422 4.384 3.960 0.003 0.000 0.287 357 G HA3 0.422 4.384 3.960 0.003 0.000 0.287 357 G C 0.439 175.322 174.900 -0.028 0.000 1.011 357 G CA 0.613 45.543 45.100 -0.283 0.000 0.818 357 G HN 0.492 nan 8.290 nan 0.000 0.470 358 L N -1.640 119.608 121.223 0.041 0.000 2.249 358 L HA 0.430 4.772 4.340 0.003 0.000 0.204 358 L C 2.087 178.961 176.870 0.006 0.000 1.135 358 L CA 0.214 55.080 54.840 0.043 0.000 1.070 358 L CB -0.029 42.079 42.059 0.081 0.000 2.194 358 L HN -0.135 nan 8.230 nan 0.000 0.504 359 R N 0.850 121.316 120.500 -0.056 0.000 2.096 359 R HA -0.034 4.308 4.340 0.003 0.000 0.235 359 R C -0.642 175.486 176.300 -0.286 0.000 1.127 359 R CA 1.604 57.595 56.100 -0.180 0.000 0.968 359 R CB -2.099 28.110 30.300 -0.152 0.000 0.861 359 R HN 0.355 nan 8.270 nan 0.000 0.440 360 P HA -0.216 nan 4.420 nan 0.000 0.218 360 P C 1.301 178.336 177.300 -0.441 0.000 1.152 360 P CA 1.895 64.619 63.100 -0.626 0.000 0.857 360 P CB -0.135 30.678 31.700 -1.479 0.000 0.787 361 R N -2.344 117.995 120.500 -0.269 0.000 2.195 361 R HA 0.084 4.425 4.340 0.003 0.000 0.197 361 R C 1.902 178.105 176.300 -0.163 0.000 0.990 361 R CA 0.571 56.562 56.100 -0.181 0.000 1.048 361 R CB -1.148 29.090 30.300 -0.103 0.000 0.997 361 R HN 0.224 nan 8.270 nan 0.000 0.502 362 H N 1.015 119.929 119.070 -0.259 0.000 2.521 362 H HA -0.025 4.532 4.556 0.001 0.000 0.286 362 H C 1.935 176.936 175.328 -0.544 0.000 1.034 362 H CA 1.096 56.947 56.048 -0.329 0.000 1.278 362 H CB 0.616 30.180 29.762 -0.329 0.000 1.386 362 H HN 0.223 nan 8.280 nan 0.000 0.567 363 V N -2.102 117.556 119.914 -0.426 0.000 3.174 363 V HA -0.035 4.087 4.120 0.003 0.000 0.254 363 V C 1.908 177.990 176.094 -0.020 0.000 1.120 363 V CA 0.559 62.632 62.300 -0.379 0.000 1.114 363 V CB -0.333 31.377 31.823 -0.188 0.000 0.756 363 V HN 0.292 nan 8.190 nan 0.000 0.467 364 I N 2.560 123.071 120.570 -0.099 0.000 2.145 364 I HA -0.195 3.976 4.170 0.003 0.000 0.244 364 I C 2.824 178.985 176.117 0.074 0.000 1.075 364 I CA 2.184 63.453 61.300 -0.053 0.000 1.332 364 I CB -1.231 36.704 38.000 -0.109 0.000 1.033 364 I HN 0.440 nan 8.210 nan 0.000 0.410 365 G N 0.490 109.306 108.800 0.027 0.000 2.442 365 G HA2 -0.240 3.722 3.960 0.003 0.000 0.219 365 G HA3 -0.240 3.722 3.960 0.003 0.000 0.219 365 G C 1.825 176.730 174.900 0.008 0.000 1.141 365 G CA 0.832 45.940 45.100 0.013 0.000 0.763 365 G HN 0.533 nan 8.290 nan 0.000 0.554 366 A N -0.627 122.197 122.820 0.007 0.000 2.070 366 A HA 0.108 4.429 4.320 0.003 0.000 0.220 366 A C 2.108 179.653 177.584 -0.065 0.000 1.159 366 A CA 1.253 53.229 52.037 -0.102 0.000 0.656 366 A CB -0.384 18.424 19.000 -0.320 0.000 0.800 366 A HN 0.439 nan 8.150 nan 0.000 0.453 367 Y N -0.190 120.093 120.300 -0.029 0.000 2.262 367 Y HA -0.017 4.534 4.550 0.002 0.000 0.295 367 Y C 2.425 178.366 175.900 0.068 0.000 1.121 367 Y CA 0.961 59.107 58.100 0.076 0.000 1.144 367 Y CB -0.150 38.340 38.460 0.049 0.000 1.043 367 Y HN 0.267 nan 8.280 nan 0.000 0.528 368 E N 0.503 120.812 120.200 0.182 0.000 2.108 368 E HA -0.265 4.087 4.350 0.003 0.000 0.203 368 E C 1.424 178.075 176.600 0.085 0.000 1.022 368 E CA 1.798 58.257 56.400 0.098 0.000 0.823 368 E CB -0.423 29.301 29.700 0.041 0.000 0.744 368 E HN 0.530 nan 8.360 nan 0.000 0.456 369 D N 0.212 120.648 120.400 0.060 0.000 2.182 369 D HA -0.112 4.530 4.640 0.003 0.000 0.201 369 D C 1.671 178.075 176.300 0.173 0.000 0.986 369 D CA 0.547 54.583 54.000 0.059 0.000 0.847 369 D CB -0.006 40.752 40.800 -0.070 0.000 0.942 369 D HN 0.099 nan 8.370 nan 0.000 0.467 370 L N -0.680 120.660 121.223 0.195 0.000 2.585 370 L HA 0.196 4.538 4.340 0.003 0.000 0.226 370 L C 1.179 178.133 176.870 0.140 0.000 1.113 370 L CA 0.692 55.645 54.840 0.189 0.000 0.876 370 L CB -0.479 41.666 42.059 0.143 0.000 1.072 370 L HN 0.156 nan 8.230 nan 0.000 0.468 371 G N 1.006 109.886 108.800 0.133 0.000 2.182 371 G HA2 -0.309 3.653 3.960 0.003 0.000 0.248 371 G HA3 -0.309 3.653 3.960 0.003 0.000 0.248 371 G C 0.272 175.241 174.900 0.114 0.000 1.042 371 G CA 0.158 45.324 45.100 0.109 0.000 0.775 371 G HN 0.321 nan 8.290 nan 0.000 0.501 372 M N 1.420 121.120 119.600 0.166 0.000 2.055 372 M HA 0.330 4.812 4.480 0.003 0.000 0.346 372 M C 0.482 176.885 176.300 0.173 0.000 1.074 372 M CA -0.503 54.912 55.300 0.191 0.000 1.009 372 M CB 0.791 33.584 32.600 0.321 0.000 1.423 372 M HN 0.455 nan 8.290 nan 0.000 0.410 373 E N 2.307 122.558 120.200 0.086 0.000 2.376 373 E HA 0.276 4.628 4.350 0.003 0.000 0.266 373 E C -1.067 175.526 176.600 -0.011 0.000 1.009 373 E CA -0.607 55.816 56.400 0.037 0.000 0.902 373 E CB 0.848 30.560 29.700 0.020 0.000 0.972 373 E HN 0.351 nan 8.360 nan 0.000 0.439 374 V N 5.135 125.009 119.914 -0.067 0.000 2.385 374 V HA 0.050 4.172 4.120 0.003 0.000 0.269 374 V C 0.838 176.872 176.094 -0.100 0.000 1.043 374 V CA -0.234 61.982 62.300 -0.139 0.000 0.906 374 V CB 1.003 32.683 31.823 -0.238 0.000 0.995 374 V HN 0.779 nan 8.190 nan 0.000 0.467 375 V N 2.116 121.984 119.914 -0.078 0.000 3.444 375 V HA 0.749 4.871 4.120 0.003 0.000 0.308 375 V C 0.600 176.659 176.094 -0.057 0.000 1.371 375 V CA 0.545 62.812 62.300 -0.056 0.000 1.141 375 V CB -0.013 31.795 31.823 -0.026 0.000 1.037 375 V HN 0.915 nan 8.190 nan 0.000 0.433 376 G N -1.029 107.717 108.800 -0.088 0.000 2.658 376 G HA2 0.494 4.456 3.960 0.003 0.000 0.301 376 G HA3 0.494 4.456 3.960 0.003 0.000 0.301 376 G C -1.138 173.626 174.900 -0.225 0.000 1.481 376 G CA 0.298 45.331 45.100 -0.111 0.000 0.931 376 G HN 0.408 nan 8.290 nan 0.000 0.573 377 T N -0.749 113.493 114.554 -0.521 0.000 2.787 377 T HA 0.952 5.303 4.350 0.003 0.000 0.297 377 T C -0.203 173.923 174.700 -0.958 0.000 1.221 377 T CA 0.455 62.211 62.100 -0.574 0.000 1.006 377 T CB 1.825 70.438 68.868 -0.426 0.000 1.328 377 T HN 2.131 nan 8.240 nan 0.000 0.509 378 G N 0.532 109.007 108.800 -0.543 0.000 2.547 378 G HA2 0.586 4.548 3.960 0.003 0.000 0.291 378 G HA3 0.586 4.548 3.960 0.003 0.000 0.291 378 G C -2.518 172.266 174.900 -0.194 0.000 1.471 378 G CA -0.572 44.423 45.100 -0.176 0.000 0.798 378 G HN 0.602 nan 8.290 nan 0.000 0.504 379 Y N -0.651 119.707 120.300 0.096 0.000 2.602 379 Y HA 0.487 5.039 4.550 0.002 0.000 0.342 379 Y C 1.248 177.116 175.900 -0.054 0.000 1.029 379 Y CA -0.794 57.172 58.100 -0.223 0.000 1.080 379 Y CB 2.391 40.620 38.460 -0.386 0.000 1.284 379 Y HN 0.689 nan 8.280 nan 0.000 0.485 380 E N 0.219 120.353 120.200 -0.109 0.000 2.511 380 E HA 0.144 4.495 4.350 0.003 0.000 0.209 380 E C -0.396 176.354 176.600 0.250 0.000 0.986 380 E CA 0.187 56.672 56.400 0.143 0.000 0.974 380 E CB 0.272 30.078 29.700 0.177 0.000 1.030 380 E HN 0.606 nan 8.360 nan 0.000 0.490 381 F N -1.293 118.724 119.950 0.113 0.000 2.769 381 F HA 0.630 5.159 4.527 0.003 0.000 0.341 381 F C -0.059 175.796 175.800 0.092 0.000 1.279 381 F CA -1.157 56.881 58.000 0.064 0.000 1.037 381 F CB -0.182 38.832 39.000 0.023 0.000 1.333 381 F HN 0.014 nan 8.300 nan 0.000 0.505 382 A N 0.502 123.280 122.820 -0.071 0.000 2.257 382 A HA 0.792 5.114 4.320 0.003 0.000 0.289 382 A C -0.668 177.025 177.584 0.182 0.000 1.095 382 A CA -0.197 51.786 52.037 -0.090 0.000 0.836 382 A CB 0.353 18.812 19.000 -0.901 0.000 1.111 382 A HN 0.519 nan 8.150 nan 0.000 0.497 383 H N -0.404 118.626 119.070 -0.067 0.000 2.693 383 H HA 0.370 4.928 4.556 0.004 0.000 0.348 383 H C 0.947 176.359 175.328 0.141 0.000 1.222 383 H CA -1.068 55.027 56.048 0.077 0.000 1.270 383 H CB 0.529 30.335 29.762 0.073 0.000 1.798 383 H HN 0.614 nan 8.280 nan 0.000 0.592 384 N N 0.705 119.586 118.700 0.301 0.000 2.104 384 N HA -0.161 4.581 4.740 0.003 0.000 0.190 384 N C 0.922 176.548 175.510 0.193 0.000 1.024 384 N CA 1.551 54.750 53.050 0.248 0.000 0.853 384 N CB -0.222 38.349 38.487 0.140 0.000 1.008 384 N HN 0.709 nan 8.380 nan 0.000 0.424 385 D N 0.410 120.911 120.400 0.168 0.000 2.392 385 D HA -0.114 4.528 4.640 0.003 0.000 0.228 385 D C 0.299 176.672 176.300 0.122 0.000 1.003 385 D CA 0.813 54.902 54.000 0.149 0.000 0.917 385 D CB -0.331 40.594 40.800 0.209 0.000 0.890 385 D HN 0.241 nan 8.370 nan 0.000 0.532 386 D N -1.432 118.967 120.400 -0.000 0.000 2.380 386 D HA 0.040 4.681 4.640 0.003 0.000 0.212 386 D C 1.047 177.119 176.300 -0.381 0.000 1.021 386 D CA 0.256 54.108 54.000 -0.245 0.000 0.884 386 D CB -0.189 40.280 40.800 -0.552 0.000 1.001 386 D HN 0.213 nan 8.370 nan 0.000 0.506 387 Y N 1.122 121.321 120.300 -0.170 0.000 2.475 387 Y HA -0.013 4.538 4.550 0.003 0.000 0.289 387 Y C 1.446 177.318 175.900 -0.046 0.000 1.121 387 Y CA 0.498 58.547 58.100 -0.085 0.000 1.257 387 Y CB 0.279 38.714 38.460 -0.042 0.000 1.026 387 Y HN -0.113 nan 8.280 nan 0.000 0.555 388 D N 0.023 120.481 120.400 0.095 0.000 2.218 388 D HA -0.121 4.520 4.640 0.003 0.000 0.204 388 D C 1.730 178.021 176.300 -0.015 0.000 0.976 388 D CA 1.108 55.132 54.000 0.040 0.000 0.853 388 D CB -0.151 40.667 40.800 0.030 0.000 0.939 388 D HN 0.379 nan 8.370 nan 0.000 0.481 389 R N -0.249 120.220 120.500 -0.051 0.000 2.246 389 R HA 0.098 4.440 4.340 0.003 0.000 0.199 389 R C 1.820 178.074 176.300 -0.076 0.000 0.984 389 R CA 0.508 56.549 56.100 -0.098 0.000 1.015 389 R CB 0.218 30.422 30.300 -0.159 0.000 0.930 389 R HN 0.074 nan 8.270 nan 0.000 0.475 390 T N 1.230 115.768 114.554 -0.027 0.000 2.781 390 T HA -0.028 4.324 4.350 0.003 0.000 0.252 390 T C 1.893 176.596 174.700 0.006 0.000 1.039 390 T CA 0.706 62.809 62.100 0.005 0.000 1.147 390 T CB 0.009 68.935 68.868 0.096 0.000 0.865 390 T HN 0.006 nan 8.240 nan 0.000 0.423 391 M N 1.831 121.453 119.600 0.036 0.000 2.152 391 M HA -0.231 4.251 4.480 0.003 0.000 0.251 391 M C 1.944 178.235 176.300 -0.015 0.000 1.080 391 M CA 1.870 57.178 55.300 0.013 0.000 1.079 391 M CB -1.246 31.363 32.600 0.015 0.000 1.317 391 M HN 0.280 nan 8.290 nan 0.000 0.404 392 K N -0.101 120.285 120.400 -0.023 0.000 2.025 392 K HA -0.112 4.210 4.320 0.003 0.000 0.207 392 K C 1.784 178.361 176.600 -0.038 0.000 1.049 392 K CA 0.904 57.172 56.287 -0.032 0.000 0.933 392 K CB -0.200 32.277 32.500 -0.039 0.000 0.714 392 K HN 0.319 nan 8.250 nan 0.000 0.438 393 E N 0.188 120.360 120.200 -0.047 0.000 2.463 393 E HA -0.066 4.286 4.350 0.003 0.000 0.201 393 E C 0.685 177.252 176.600 -0.056 0.000 1.045 393 E CA 0.780 57.147 56.400 -0.054 0.000 0.872 393 E CB 0.018 29.676 29.700 -0.071 0.000 0.797 393 E HN 0.237 nan 8.360 nan 0.000 0.538 394 M N -0.506 119.064 119.600 -0.050 0.000 2.706 394 M HA 0.436 4.918 4.480 0.003 0.000 0.304 394 M C 0.875 177.149 176.300 -0.044 0.000 1.217 394 M CA -0.739 54.528 55.300 -0.055 0.000 0.922 394 M CB 0.902 33.467 32.600 -0.058 0.000 1.637 394 M HN -0.152 nan 8.290 nan 0.000 0.492 395 G N -0.250 108.522 108.800 -0.046 0.000 2.522 395 G HA2 0.301 4.263 3.960 0.003 0.000 0.304 395 G HA3 0.301 4.263 3.960 0.003 0.000 0.304 395 G C -0.986 173.892 174.900 -0.037 0.000 1.210 395 G CA -0.267 44.811 45.100 -0.036 0.000 0.960 395 G HN 0.634 nan 8.290 nan 0.000 0.497 396 D N -0.887 119.495 120.400 -0.030 0.000 2.225 396 D HA 0.348 4.990 4.640 0.003 0.000 0.248 396 D C 0.376 176.656 176.300 -0.033 0.000 1.096 396 D CA 0.207 54.188 54.000 -0.030 0.000 0.863 396 D CB 1.008 41.793 40.800 -0.024 0.000 1.156 396 D HN 0.281 nan 8.370 nan 0.000 0.450 397 S N 1.043 116.719 115.700 -0.039 0.000 3.533 397 S HA -0.115 4.357 4.470 0.003 0.000 0.287 397 S C 0.121 174.689 174.600 -0.053 0.000 1.241 397 S CA 0.658 58.832 58.200 -0.043 0.000 0.858 397 S CB -1.852 61.328 63.200 -0.033 0.000 1.033 397 S HN 0.712 nan 8.310 nan 0.000 0.619 398 T N 0.894 115.410 114.554 -0.062 0.000 2.882 398 T HA 0.687 5.039 4.350 0.003 0.000 0.287 398 T C -0.075 174.563 174.700 -0.103 0.000 0.992 398 T CA -0.866 61.187 62.100 -0.077 0.000 1.076 398 T CB 1.746 70.564 68.868 -0.082 0.000 0.961 398 T HN 0.299 nan 8.240 nan 0.000 0.490 399 L N 3.074 124.223 121.223 -0.123 0.000 2.305 399 L HA 0.629 4.970 4.340 0.003 0.000 0.281 399 L C -1.445 175.282 176.870 -0.239 0.000 1.085 399 L CA -0.455 54.285 54.840 -0.167 0.000 0.813 399 L CB 0.052 41.981 42.059 -0.216 0.000 1.157 399 L HN 0.564 nan 8.230 nan 0.000 0.436 400 L N 6.224 127.306 121.223 -0.235 0.000 2.362 400 L HA 0.618 4.960 4.340 0.003 0.000 0.271 400 L C -0.997 175.754 176.870 -0.199 0.000 1.002 400 L CA -0.308 54.312 54.840 -0.367 0.000 0.818 400 L CB 1.782 43.764 42.059 -0.128 0.000 1.298 400 L HN 0.561 nan 8.230 nan 0.000 0.420 401 Y N -1.469 118.860 120.300 0.048 0.000 2.570 401 Y HA 0.747 5.300 4.550 0.004 0.000 0.345 401 Y C -0.667 175.367 175.900 0.222 0.000 1.014 401 Y CA -1.403 56.745 58.100 0.080 0.000 1.063 401 Y CB 1.492 39.919 38.460 -0.055 0.000 1.272 401 Y HN 0.513 nan 8.280 nan 0.000 0.477 402 D N 1.723 122.340 120.400 0.361 0.000 2.575 402 D HA 0.168 4.810 4.640 0.003 0.000 0.250 402 D C -0.917 175.471 176.300 0.146 0.000 1.279 402 D CA -0.271 53.938 54.000 0.348 0.000 0.925 402 D CB 1.204 42.203 40.800 0.332 0.000 1.261 402 D HN 0.828 nan 8.370 nan 0.000 0.567 403 D N 2.607 123.160 120.400 0.255 0.000 2.723 403 D HA -0.207 4.435 4.640 0.003 0.000 0.236 403 D C -0.705 175.643 176.300 0.080 0.000 1.138 403 D CA 0.481 54.576 54.000 0.159 0.000 0.676 403 D CB -1.184 39.574 40.800 -0.070 0.000 1.069 403 D HN 0.196 nan 8.370 nan 0.000 0.430 404 V N 0.898 120.829 119.914 0.028 0.000 2.763 404 V HA 0.376 4.498 4.120 0.003 0.000 0.306 404 V C 1.118 177.176 176.094 -0.059 0.000 1.059 404 V CA 0.935 63.163 62.300 -0.120 0.000 1.138 404 V CB 0.974 32.505 31.823 -0.486 0.000 0.940 404 V HN 0.489 nan 8.190 nan 0.000 0.489 405 T N 3.507 118.060 114.554 -0.001 0.000 2.934 405 T HA 0.523 4.875 4.350 0.003 0.000 0.283 405 T C 1.380 176.135 174.700 0.092 0.000 1.005 405 T CA -0.025 62.110 62.100 0.059 0.000 1.041 405 T CB 1.372 70.273 68.868 0.055 0.000 1.042 405 T HN 1.075 nan 8.240 nan 0.000 0.505 406 G N 0.364 109.233 108.800 0.115 0.000 2.703 406 G HA2 -0.345 3.617 3.960 0.003 0.000 0.222 406 G HA3 -0.345 3.617 3.960 0.003 0.000 0.222 406 G C 1.121 176.066 174.900 0.076 0.000 1.183 406 G CA 1.536 46.695 45.100 0.099 0.000 0.775 406 G HN 0.899 nan 8.290 nan 0.000 0.615 407 Y N 1.818 122.115 120.300 -0.005 0.000 2.145 407 Y HA -0.155 4.396 4.550 0.003 0.000 0.286 407 Y C 3.089 178.886 175.900 -0.172 0.000 1.145 407 Y CA 2.304 60.378 58.100 -0.044 0.000 1.148 407 Y CB -0.062 38.424 38.460 0.044 0.000 0.981 407 Y HN 0.419 nan 8.280 nan 0.000 0.507 408 E N -0.247 120.031 120.200 0.130 0.000 2.049 408 E HA -0.298 4.054 4.350 0.003 0.000 0.198 408 E C 2.201 178.256 176.600 -0.908 0.000 1.007 408 E CA 1.718 57.926 56.400 -0.320 0.000 0.809 408 E CB -0.891 28.740 29.700 -0.115 0.000 0.749 408 E HN 0.580 nan 8.360 nan 0.000 0.450 409 F N 1.719 121.300 119.950 -0.614 0.000 2.039 409 F HA -0.214 4.315 4.527 0.003 0.000 0.294 409 F C 2.811 178.417 175.800 -0.323 0.000 1.130 409 F CA 1.285 58.955 58.000 -0.550 0.000 1.189 409 F CB 0.049 38.854 39.000 -0.325 0.000 0.983 409 F HN -0.000 nan 8.300 nan 0.000 0.471 410 E N 0.198 120.411 120.200 0.022 0.000 2.169 410 E HA -0.299 4.053 4.350 0.003 0.000 0.202 410 E C 1.866 178.395 176.600 -0.119 0.000 1.016 410 E CA 1.753 58.111 56.400 -0.071 0.000 0.817 410 E CB -0.071 29.513 29.700 -0.193 0.000 0.736 410 E HN 0.419 nan 8.360 nan 0.000 0.462 411 E N -0.352 119.692 120.200 -0.259 0.000 2.107 411 E HA -0.121 4.231 4.350 0.003 0.000 0.191 411 E C 1.901 178.537 176.600 0.060 0.000 0.982 411 E CA 0.624 56.903 56.400 -0.201 0.000 0.809 411 E CB -0.257 29.258 29.700 -0.308 0.000 0.756 411 E HN 0.351 nan 8.360 nan 0.000 0.459 412 F N 0.770 120.754 119.950 0.056 0.000 2.113 412 F HA -0.139 4.390 4.527 0.003 0.000 0.297 412 F C 2.540 178.399 175.800 0.099 0.000 1.103 412 F CA 0.394 58.440 58.000 0.076 0.000 1.248 412 F CB -1.465 37.570 39.000 0.058 0.000 0.999 412 F HN -0.162 nan 8.300 nan 0.000 0.475 413 V N 0.275 120.383 119.914 0.323 0.000 2.287 413 V HA -0.314 3.807 4.120 0.003 0.000 0.248 413 V C 2.322 178.496 176.094 0.135 0.000 1.053 413 V CA 1.960 64.386 62.300 0.210 0.000 1.027 413 V CB -0.841 31.098 31.823 0.193 0.000 0.646 413 V HN 0.276 nan 8.190 nan 0.000 0.447 414 K N -0.745 119.710 120.400 0.092 0.000 2.147 414 K HA -0.131 4.191 4.320 0.003 0.000 0.205 414 K C 2.440 179.072 176.600 0.052 0.000 1.049 414 K CA 1.066 57.377 56.287 0.040 0.000 0.936 414 K CB -0.094 32.394 32.500 -0.019 0.000 0.722 414 K HN 0.302 nan 8.250 nan 0.000 0.446 415 R N 0.165 120.719 120.500 0.089 0.000 2.103 415 R HA 0.179 4.521 4.340 0.003 0.000 0.212 415 R C 2.212 178.557 176.300 0.075 0.000 1.107 415 R CA 0.563 56.711 56.100 0.080 0.000 1.025 415 R CB -0.125 30.237 30.300 0.103 0.000 0.929 415 R HN 0.163 nan 8.270 nan 0.000 0.456 416 I N 1.620 122.250 120.570 0.100 0.000 2.493 416 I HA -0.178 3.993 4.170 0.003 0.000 0.254 416 I C 0.126 176.275 176.117 0.053 0.000 1.160 416 I CA 0.848 62.192 61.300 0.072 0.000 1.445 416 I CB -0.165 37.888 38.000 0.089 0.000 1.086 416 I HN 0.108 nan 8.210 nan 0.000 0.433 417 K N 0.095 120.530 120.400 0.058 0.000 3.619 417 K HA -0.149 4.173 4.320 0.003 0.000 0.275 417 K C -2.231 174.377 176.600 0.014 0.000 0.993 417 K CA -0.107 56.200 56.287 0.033 0.000 0.787 417 K CB -1.728 30.786 32.500 0.022 0.000 1.431 417 K HN 0.253 nan 8.250 nan 0.000 0.451 418 P HA 0.030 nan 4.420 nan 0.000 0.272 418 P C 0.337 177.605 177.300 -0.053 0.000 1.230 418 P CA -0.092 63.001 63.100 -0.013 0.000 0.788 418 P CB 0.561 32.257 31.700 -0.006 0.000 0.949 419 D N 0.354 120.716 120.400 -0.064 0.000 2.216 419 D HA 0.118 4.760 4.640 0.003 0.000 0.208 419 D C 0.215 176.416 176.300 -0.165 0.000 0.960 419 D CA 0.751 54.687 54.000 -0.106 0.000 0.861 419 D CB -0.144 40.613 40.800 -0.072 0.000 0.985 419 D HN 0.081 nan 8.370 nan 0.000 0.493 420 L N 0.184 121.336 121.223 -0.118 0.000 2.409 420 L HA 0.533 4.874 4.340 0.003 0.000 0.262 420 L C -1.870 174.918 176.870 -0.136 0.000 0.992 420 L CA -0.926 53.832 54.840 -0.138 0.000 0.817 420 L CB 2.003 44.014 42.059 -0.081 0.000 1.350 420 L HN -0.063 nan 8.230 nan 0.000 0.411 421 I N 1.542 121.980 120.570 -0.219 0.000 2.865 421 I HA 0.805 4.977 4.170 0.003 0.000 0.302 421 I C -0.225 175.533 176.117 -0.598 0.000 1.140 421 I CA -0.881 60.229 61.300 -0.316 0.000 1.021 421 I CB 2.312 40.106 38.000 -0.343 0.000 1.233 421 I HN 0.716 nan 8.210 nan 0.000 0.427 422 G N 1.585 110.074 108.800 -0.517 0.000 2.744 422 G HA2 0.603 4.565 3.960 0.003 0.000 0.286 422 G HA3 0.603 4.565 3.960 0.003 0.000 0.286 422 G C -1.113 173.575 174.900 -0.353 0.000 1.497 422 G CA -0.200 44.558 45.100 -0.570 0.000 1.070 422 G HN 0.674 nan 8.290 nan 0.000 0.539 423 S N 0.814 116.316 115.700 -0.329 0.000 3.576 423 S HA 0.861 5.333 4.470 0.003 0.000 0.321 423 S C 0.661 175.534 174.600 0.454 0.000 1.174 423 S CA 0.328 58.647 58.200 0.199 0.000 1.102 423 S CB 0.607 64.112 63.200 0.509 0.000 1.467 423 S HN 1.189 nan 8.310 nan 0.000 0.701 424 G N 0.653 109.817 108.800 0.607 0.000 2.583 424 G HA2 0.483 4.445 3.960 0.003 0.000 0.280 424 G HA3 0.483 4.445 3.960 0.003 0.000 0.280 424 G C 0.690 175.712 174.900 0.205 0.000 1.376 424 G CA -0.011 45.419 45.100 0.552 0.000 1.043 424 G HN 0.657 nan 8.290 nan 0.000 0.538 425 I N -0.387 120.206 120.570 0.038 0.000 2.252 425 I HA -0.028 4.144 4.170 0.003 0.000 0.245 425 I C 2.545 178.545 176.117 -0.195 0.000 1.102 425 I CA 1.613 62.830 61.300 -0.139 0.000 1.385 425 I CB -0.163 37.804 38.000 -0.055 0.000 1.064 425 I HN 0.509 nan 8.210 nan 0.000 0.414 426 K N 0.657 121.037 120.400 -0.032 0.000 2.147 426 K HA -0.159 4.163 4.320 0.003 0.000 0.205 426 K C 1.752 178.368 176.600 0.026 0.000 1.049 426 K CA 1.606 57.910 56.287 0.028 0.000 0.936 426 K CB -0.348 32.200 32.500 0.079 0.000 0.722 426 K HN 0.566 nan 8.250 nan 0.000 0.446 427 E N 1.364 121.587 120.200 0.038 0.000 2.307 427 E HA -0.094 4.257 4.350 0.003 0.000 0.195 427 E C 1.710 178.150 176.600 -0.267 0.000 0.975 427 E CA 0.372 56.862 56.400 0.149 0.000 0.878 427 E CB -0.125 29.837 29.700 0.437 0.000 0.845 427 E HN 0.186 nan 8.360 nan 0.000 0.488 428 K N 0.789 120.615 120.400 -0.957 0.000 2.189 428 K HA -0.165 4.157 4.320 0.003 0.000 0.207 428 K C 1.620 177.671 176.600 -0.916 0.000 1.046 428 K CA 1.628 56.789 56.287 -1.877 0.000 0.928 428 K CB -0.226 31.517 32.500 -1.261 0.000 0.720 428 K HN 0.136 nan 8.250 nan 0.000 0.458 429 F N 0.197 119.977 119.950 -0.282 0.000 2.188 429 F HA 0.028 4.557 4.527 0.004 0.000 0.289 429 F C 2.129 177.820 175.800 -0.183 0.000 1.082 429 F CA 0.193 58.102 58.000 -0.152 0.000 1.282 429 F CB -0.202 38.731 39.000 -0.110 0.000 1.060 429 F HN -0.119 nan 8.300 nan 0.000 0.493 430 I N 0.010 120.497 120.570 -0.137 0.000 2.229 430 I HA -0.350 3.822 4.170 0.003 0.000 0.250 430 I C 1.897 177.627 176.117 -0.645 0.000 1.096 430 I CA 1.774 62.779 61.300 -0.493 0.000 1.358 430 I CB -0.530 36.959 38.000 -0.851 0.000 1.047 430 I HN 0.107 nan 8.210 nan 0.000 0.422 431 F N -0.136 119.787 119.950 -0.045 0.000 2.387 431 F HA -0.001 4.528 4.527 0.004 0.000 0.294 431 F C 2.575 178.442 175.800 0.110 0.000 1.093 431 F CA 0.343 58.351 58.000 0.013 0.000 1.420 431 F CB -0.787 38.246 39.000 0.055 0.000 1.086 431 F HN -0.059 nan 8.300 nan 0.000 0.531 432 Q N 0.808 120.795 119.800 0.311 0.000 2.234 432 Q HA -0.162 4.180 4.340 0.003 0.000 0.206 432 Q C 1.807 178.005 176.000 0.330 0.000 0.980 432 Q CA 0.992 57.056 55.803 0.436 0.000 0.869 432 Q CB -0.102 28.877 28.738 0.401 0.000 0.912 432 Q HN 0.334 nan 8.270 nan 0.000 0.436 433 K N -0.015 120.481 120.400 0.160 0.000 2.228 433 K HA 0.013 4.334 4.320 0.003 0.000 0.202 433 K C 1.504 178.148 176.600 0.073 0.000 1.051 433 K CA 0.712 57.048 56.287 0.082 0.000 0.960 433 K CB 0.078 32.575 32.500 -0.004 0.000 0.743 433 K HN 0.327 nan 8.250 nan 0.000 0.458 434 M N 0.189 119.832 119.600 0.072 0.000 2.581 434 M HA 0.136 4.618 4.480 0.003 0.000 0.224 434 M C 0.495 176.860 176.300 0.108 0.000 1.171 434 M CA 0.213 55.545 55.300 0.054 0.000 0.993 434 M CB 0.101 32.714 32.600 0.022 0.000 1.685 434 M HN 0.249 nan 8.290 nan 0.000 0.479 435 G N 2.188 111.117 108.800 0.215 0.000 2.225 435 G HA2 -0.256 3.705 3.960 0.003 0.000 0.267 435 G HA3 -0.256 3.705 3.960 0.003 0.000 0.267 435 G C -0.038 174.897 174.900 0.059 0.000 1.024 435 G CA 0.067 45.364 45.100 0.328 0.000 0.784 435 G HN 0.582 nan 8.290 nan 0.000 0.507 436 I N 0.532 121.073 120.570 -0.048 0.000 2.312 436 I HA 0.272 4.444 4.170 0.003 0.000 0.290 436 I C -2.089 173.686 176.117 -0.570 0.000 1.008 436 I CA -2.563 58.576 61.300 -0.267 0.000 1.226 436 I CB 1.602 39.591 38.000 -0.019 0.000 1.371 436 I HN -0.197 nan 8.210 nan 0.000 0.468 437 P HA -0.078 nan 4.420 nan 0.000 0.258 437 P C -0.939 176.264 177.300 -0.162 0.000 1.172 437 P CA 0.642 63.146 63.100 -0.992 0.000 0.762 437 P CB 0.049 31.275 31.700 -0.790 0.000 0.764 438 F N 4.373 124.346 119.950 0.039 0.000 2.495 438 F HA 0.590 5.119 4.527 0.004 0.000 0.327 438 F C 0.223 176.100 175.800 0.128 0.000 1.103 438 F CA -0.725 57.323 58.000 0.080 0.000 0.949 438 F CB 1.489 40.574 39.000 0.142 0.000 1.142 438 F HN 0.020 nan 8.300 nan 0.000 0.457 439 R N 4.836 125.227 120.500 -0.183 0.000 2.473 439 R HA 0.184 4.526 4.340 0.003 0.000 0.303 439 R C -0.929 175.355 176.300 -0.027 0.000 1.002 439 R CA -0.613 55.509 56.100 0.038 0.000 0.884 439 R CB 1.643 31.943 30.300 -0.000 0.000 1.173 439 R HN 0.810 nan 8.270 nan 0.000 0.464 440 E N 3.569 123.929 120.200 0.266 0.000 2.452 440 E HA -0.063 4.289 4.350 0.003 0.000 0.261 440 E C 0.764 177.486 176.600 0.203 0.000 0.987 440 E CA 0.372 56.934 56.400 0.270 0.000 0.926 440 E CB 0.765 30.550 29.700 0.142 0.000 0.934 440 E HN 0.287 nan 8.360 nan 0.000 0.452 441 M N 1.600 121.255 119.600 0.092 0.000 2.730 441 M HA 0.008 4.489 4.480 0.003 0.000 0.258 441 M C 1.688 177.709 176.300 -0.465 0.000 1.279 441 M CA 0.765 56.105 55.300 0.067 0.000 1.183 441 M CB -0.677 31.916 32.600 -0.013 0.000 1.291 441 M HN 0.555 nan 8.290 nan 0.000 0.518 442 H N 0.729 119.629 119.070 -0.283 0.000 2.274 442 H HA -0.058 4.500 4.556 0.003 0.000 0.296 442 H C 1.937 176.923 175.328 -0.570 0.000 1.061 442 H CA 2.307 58.117 56.048 -0.396 0.000 1.226 442 H CB -0.698 28.944 29.762 -0.200 0.000 1.370 442 H HN 0.365 nan 8.280 nan 0.000 0.507 443 S N -0.735 114.830 115.700 -0.225 0.000 2.660 443 S HA -0.088 4.384 4.470 0.003 0.000 0.223 443 S C 0.467 174.936 174.600 -0.218 0.000 0.963 443 S CA 0.149 58.177 58.200 -0.286 0.000 0.932 443 S CB -0.937 62.095 63.200 -0.280 0.000 0.775 443 S HN 0.668 nan 8.310 nan 0.000 0.531 444 W N 0.823 122.002 121.300 -0.201 0.000 3.904 444 W HA -0.239 4.422 4.660 0.002 0.000 0.312 444 W C 0.100 176.485 176.519 -0.224 0.000 1.159 444 W CA 0.189 57.353 57.345 -0.301 0.000 0.704 444 W CB -2.060 27.065 29.460 -0.558 0.000 2.209 444 W HN 0.415 nan 8.180 nan 0.000 1.468 445 D N -0.311 120.023 120.400 -0.111 0.000 2.697 445 D HA -0.261 4.381 4.640 0.003 0.000 0.238 445 D C 0.293 176.408 176.300 -0.309 0.000 1.152 445 D CA 2.220 55.997 54.000 -0.371 0.000 0.666 445 D CB -1.356 39.452 40.800 0.014 0.000 1.037 445 D HN 0.627 nan 8.370 nan 0.000 0.423 446 Y N -2.787 117.608 120.300 0.157 0.000 4.236 446 Y HA -0.332 4.220 4.550 0.003 0.000 0.220 446 Y C 1.274 177.279 175.900 0.176 0.000 1.115 446 Y CA 0.758 58.949 58.100 0.152 0.000 1.811 446 Y CB -2.095 36.446 38.460 0.135 0.000 1.581 446 Y HN 0.229 nan 8.280 nan 0.000 0.643 447 S N -0.078 115.756 115.700 0.222 0.000 2.671 447 S HA 0.761 5.232 4.470 0.003 0.000 0.272 447 S C 1.089 175.804 174.600 0.193 0.000 1.174 447 S CA -0.185 58.139 58.200 0.207 0.000 1.004 447 S CB 0.846 64.167 63.200 0.202 0.000 1.077 447 S HN 0.588 nan 8.310 nan 0.000 0.553 448 G N 0.710 109.624 108.800 0.191 0.000 2.621 448 G HA2 0.454 4.416 3.960 0.003 0.000 0.271 448 G HA3 0.454 4.416 3.960 0.003 0.000 0.271 448 G C -2.798 172.180 174.900 0.130 0.000 1.236 448 G CA -1.269 43.945 45.100 0.191 0.000 0.958 448 G HN 0.523 nan 8.290 nan 0.000 0.512 449 P HA 0.016 nan 4.420 nan 0.000 0.265 449 P C -0.427 176.974 177.300 0.169 0.000 1.187 449 P CA 0.645 63.808 63.100 0.104 0.000 0.766 449 P CB 0.320 32.112 31.700 0.152 0.000 0.820 450 Y N -0.800 119.327 120.300 -0.289 0.000 2.535 450 Y HA 0.070 4.622 4.550 0.002 0.000 0.264 450 Y C 1.460 177.230 175.900 -0.216 0.000 1.087 450 Y CA -0.299 57.593 58.100 -0.347 0.000 1.285 450 Y CB 0.199 38.197 38.460 -0.770 0.000 1.200 450 Y HN 0.428 nan 8.280 nan 0.000 0.514 451 H N 0.222 119.168 119.070 -0.206 0.000 2.822 451 H HA 0.229 4.788 4.556 0.005 0.000 0.373 451 H C 0.899 176.107 175.328 -0.201 0.000 1.223 451 H CA 0.474 56.309 56.048 -0.356 0.000 1.436 451 H CB 0.396 29.992 29.762 -0.276 0.000 1.439 451 H HN 0.420 nan 8.280 nan 0.000 0.618 452 G N 0.267 108.966 108.800 -0.170 0.000 2.692 452 G HA2 -0.338 3.624 3.960 0.003 0.000 0.248 452 G HA3 -0.338 3.624 3.960 0.003 0.000 0.248 452 G C 0.227 174.853 174.900 -0.455 0.000 1.340 452 G CA 0.414 45.257 45.100 -0.429 0.000 0.896 452 G HN 0.540 nan 8.290 nan 0.000 0.570 453 F N -0.090 119.658 119.950 -0.337 0.000 2.094 453 F HA 0.064 4.590 4.527 -0.001 0.000 0.291 453 F C 2.735 178.539 175.800 0.007 0.000 1.109 453 F CA 1.813 59.676 58.000 -0.228 0.000 1.221 453 F CB -0.243 38.431 39.000 -0.544 0.000 1.014 453 F HN 0.403 nan 8.300 nan 0.000 0.473 454 D N 0.049 120.552 120.400 0.172 0.000 2.149 454 D HA -0.141 4.500 4.640 0.003 0.000 0.198 454 D C 2.412 178.813 176.300 0.168 0.000 0.990 454 D CA 1.428 55.547 54.000 0.198 0.000 0.839 454 D CB -0.994 39.908 40.800 0.170 0.000 0.948 454 D HN 0.331 nan 8.370 nan 0.000 0.460 455 G N 0.395 109.270 108.800 0.124 0.000 2.480 455 G HA2 -0.307 3.654 3.960 0.003 0.000 0.216 455 G HA3 -0.307 3.654 3.960 0.003 0.000 0.216 455 G C 1.512 176.459 174.900 0.079 0.000 1.200 455 G CA 0.640 45.807 45.100 0.113 0.000 0.782 455 G HN 0.302 nan 8.290 nan 0.000 0.554 456 F N 2.749 122.648 119.950 -0.086 0.000 2.141 456 F HA -0.168 4.363 4.527 0.006 0.000 0.300 456 F C 2.716 178.528 175.800 0.019 0.000 1.079 456 F CA 1.484 59.421 58.000 -0.105 0.000 1.264 456 F CB -0.379 38.541 39.000 -0.134 0.000 1.011 456 F HN 0.251 nan 8.300 nan 0.000 0.487 457 A N 1.033 123.864 122.820 0.018 0.000 1.873 457 A HA -0.202 4.119 4.320 0.003 0.000 0.218 457 A C 2.317 179.827 177.584 -0.124 0.000 1.193 457 A CA 2.323 54.351 52.037 -0.016 0.000 0.629 457 A CB -1.305 17.796 19.000 0.169 0.000 0.826 457 A HN 0.526 nan 8.150 nan 0.000 0.447 458 I N -1.958 118.572 120.570 -0.068 0.000 2.179 458 I HA -0.236 3.936 4.170 0.003 0.000 0.242 458 I C 2.374 178.303 176.117 -0.314 0.000 1.088 458 I CA 1.740 62.992 61.300 -0.080 0.000 1.357 458 I CB -0.507 37.545 38.000 0.087 0.000 1.051 458 I HN 0.453 nan 8.210 nan 0.000 0.409 459 F N 2.259 121.776 119.950 -0.722 0.000 2.027 459 F HA -0.350 4.180 4.527 0.005 0.000 0.297 459 F C 2.554 177.843 175.800 -0.851 0.000 1.129 459 F CA 1.912 59.197 58.000 -1.192 0.000 1.195 459 F CB -0.512 37.672 39.000 -1.359 0.000 0.960 459 F HN 0.025 nan 8.300 nan 0.000 0.485 460 A N 0.187 122.566 122.820 -0.735 0.000 2.084 460 A HA -0.244 4.078 4.320 0.003 0.000 0.221 460 A C 2.345 179.177 177.584 -1.253 0.000 1.161 460 A CA 1.866 53.417 52.037 -0.809 0.000 0.653 460 A CB -0.821 17.789 19.000 -0.651 0.000 0.802 460 A HN 0.528 nan 8.150 nan 0.000 0.457 461 R N -0.596 119.264 120.500 -1.068 0.000 2.206 461 R HA -0.015 4.326 4.340 0.003 0.000 0.198 461 R C 0.811 176.760 176.300 -0.585 0.000 0.986 461 R CA 1.308 56.788 56.100 -1.033 0.000 1.029 461 R CB -0.251 29.793 30.300 -0.428 0.000 0.966 461 R HN 0.475 nan 8.270 nan 0.000 0.487 462 D N 0.133 120.221 120.400 -0.521 0.000 2.183 462 D HA -0.069 4.573 4.640 0.003 0.000 0.203 462 D C 1.775 177.849 176.300 -0.376 0.000 0.969 462 D CA 0.938 54.739 54.000 -0.332 0.000 0.842 462 D CB 0.199 40.873 40.800 -0.210 0.000 0.957 462 D HN 0.081 nan 8.370 nan 0.000 0.484 463 M N 0.033 119.255 119.600 -0.629 0.000 2.254 463 M HA -0.054 4.428 4.480 0.003 0.000 0.265 463 M C 1.464 177.585 176.300 -0.299 0.000 1.066 463 M CA 1.112 56.114 55.300 -0.498 0.000 1.123 463 M CB -0.521 31.661 32.600 -0.698 0.000 1.388 463 M HN -0.013 nan 8.290 nan 0.000 0.425 464 D N 0.761 120.948 120.400 -0.355 0.000 2.137 464 D HA -0.111 4.531 4.640 0.003 0.000 0.202 464 D C 2.074 178.331 176.300 -0.073 0.000 0.970 464 D CA 1.103 54.986 54.000 -0.196 0.000 0.837 464 D CB 0.016 40.675 40.800 -0.235 0.000 0.981 464 D HN 0.417 nan 8.370 nan 0.000 0.475 465 M N -1.512 118.037 119.600 -0.085 0.000 2.296 465 M HA 0.010 4.492 4.480 0.003 0.000 0.265 465 M C 1.607 177.954 176.300 0.078 0.000 1.064 465 M CA 1.437 56.740 55.300 0.005 0.000 1.109 465 M CB -0.261 32.339 32.600 0.001 0.000 1.396 465 M HN -0.232 nan 8.290 nan 0.000 0.430 466 T N 1.104 115.710 114.554 0.088 0.000 2.953 466 T HA 0.166 4.517 4.350 0.003 0.000 0.247 466 T C 1.810 176.735 174.700 0.376 0.000 1.029 466 T CA 0.887 63.132 62.100 0.243 0.000 1.144 466 T CB -0.219 68.772 68.868 0.206 0.000 0.870 466 T HN 0.404 nan 8.240 nan 0.000 0.446 467 L N 1.466 122.771 121.223 0.137 0.000 1.994 467 L HA -0.068 4.274 4.340 0.003 0.000 0.208 467 L C 1.399 178.345 176.870 0.127 0.000 1.071 467 L CA 1.475 56.337 54.840 0.036 0.000 0.745 467 L CB -0.197 41.834 42.059 -0.048 0.000 0.892 467 L HN 0.199 nan 8.230 nan 0.000 0.431 468 N N 0.352 119.136 118.700 0.140 0.000 2.314 468 N HA -0.026 4.715 4.740 0.003 0.000 0.200 468 N C 0.132 175.769 175.510 0.211 0.000 1.135 468 N CA 0.002 53.147 53.050 0.158 0.000 0.835 468 N CB -0.478 38.063 38.487 0.090 0.000 0.989 468 N HN 0.385 nan 8.380 nan 0.000 0.478 469 N N 2.085 120.956 118.700 0.286 0.000 2.381 469 N HA 0.012 4.754 4.740 0.003 0.000 0.241 469 N C -1.661 173.915 175.510 0.110 0.000 1.279 469 N CA -0.905 52.235 53.050 0.150 0.000 0.896 469 N CB 1.549 40.076 38.487 0.067 0.000 1.118 469 N HN -0.108 nan 8.380 nan 0.000 0.438 470 P HA -0.046 nan 4.420 nan 0.000 0.221 470 P C 1.529 178.781 177.300 -0.079 0.000 1.150 470 P CA 0.717 63.816 63.100 -0.001 0.000 0.800 470 P CB -0.110 31.584 31.700 -0.009 0.000 0.787 471 C N -1.590 117.557 119.300 -0.255 0.000 2.363 471 C HA -0.212 4.250 4.460 0.003 0.000 0.274 471 C C 2.298 177.113 174.990 -0.291 0.000 1.183 471 C CA 0.674 59.462 59.018 -0.383 0.000 1.771 471 C CB -2.206 25.129 27.740 -0.674 0.000 2.059 471 C HN 0.280 nan 8.230 nan 0.000 0.455 472 W N 2.236 123.555 121.300 0.030 0.000 2.305 472 W HA -0.134 4.528 4.660 0.003 0.000 0.308 472 W C 2.637 179.164 176.519 0.013 0.000 1.226 472 W CA 1.625 58.987 57.345 0.027 0.000 1.253 472 W CB -0.565 28.915 29.460 0.034 0.000 1.146 472 W HN 0.403 nan 8.180 nan 0.000 0.507 473 K N 0.336 120.856 120.400 0.200 0.000 2.362 473 K HA -0.083 4.239 4.320 0.003 0.000 0.200 473 K C 1.207 177.839 176.600 0.052 0.000 1.046 473 K CA 0.818 57.173 56.287 0.114 0.000 0.952 473 K CB -0.310 32.242 32.500 0.086 0.000 0.753 473 K HN 0.082 nan 8.250 nan 0.000 0.466 474 K N 0.951 121.366 120.400 0.024 0.000 2.437 474 K HA 0.126 4.448 4.320 0.003 0.000 0.198 474 K C 1.515 178.099 176.600 -0.028 0.000 1.024 474 K CA 0.020 56.298 56.287 -0.015 0.000 1.148 474 K CB 0.197 32.675 32.500 -0.036 0.000 0.860 474 K HN 0.091 nan 8.250 nan 0.000 0.515 475 L N 0.373 121.599 121.223 0.006 0.000 2.023 475 L HA -0.052 4.290 4.340 0.003 0.000 0.205 475 L C 1.236 178.072 176.870 -0.057 0.000 1.073 475 L CA 1.396 56.236 54.840 -0.001 0.000 0.745 475 L CB -0.583 41.516 42.059 0.067 0.000 0.900 475 L HN 0.335 nan 8.230 nan 0.000 0.435 476 Q N 0.605 120.362 119.800 -0.072 0.000 2.314 476 Q HA 0.400 4.742 4.340 0.003 0.000 0.257 476 Q C -0.295 175.560 176.000 -0.242 0.000 0.975 476 Q CA -0.387 55.334 55.803 -0.136 0.000 0.933 476 Q CB 1.296 29.976 28.738 -0.097 0.000 1.195 476 Q HN 0.298 nan 8.270 nan 0.000 0.426 477 A N 6.084 128.658 122.820 -0.410 0.000 2.498 477 A HA 0.163 4.485 4.320 0.003 0.000 0.239 477 A C -1.757 175.382 177.584 -0.742 0.000 1.068 477 A CA -1.070 50.517 52.037 -0.751 0.000 0.766 477 A CB -0.073 18.123 19.000 -1.340 0.000 1.003 477 A HN 0.807 nan 8.150 nan 0.000 0.497 478 P HA -0.244 nan 4.420 nan 0.000 0.214 478 P C 1.242 178.503 177.300 -0.065 0.000 1.172 478 P CA 2.501 65.498 63.100 -0.171 0.000 0.925 478 P CB -0.252 31.491 31.700 0.072 0.000 0.793 479 W N -0.394 120.911 121.300 0.009 0.000 2.387 479 W HA -0.034 4.627 4.660 0.003 0.000 0.272 479 W C 0.321 176.845 176.519 0.008 0.000 1.224 479 W CA 0.339 57.688 57.345 0.007 0.000 1.210 479 W CB -1.427 28.036 29.460 0.005 0.000 1.125 479 W HN 0.017 nan 8.180 nan 0.000 0.572 480 E N 0.000 119.985 120.200 -0.358 0.000 2.725 480 E HA 0.000 4.352 4.350 0.003 0.000 0.291 480 E CA 0.000 56.249 56.400 -0.251 0.000 0.976 480 E CB 0.000 29.641 29.700 -0.098 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440