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 2afk_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 0.000 174.584 174.600 -0.027 0.000 1.055 5 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 5 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 6 R N 2.449 122.934 120.500 -0.026 0.000 2.075 6 R HA -0.055 4.284 4.340 -0.001 0.000 0.232 6 R C 1.265 177.551 176.300 -0.024 0.000 1.126 6 R CA 2.251 58.334 56.100 -0.028 0.000 0.963 6 R CB -0.161 30.124 30.300 -0.024 0.000 0.858 6 R HN 0.657 nan 8.270 nan 0.000 0.435 7 E N 0.556 120.746 120.200 -0.018 0.000 2.072 7 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 7 E C 1.810 178.403 176.600 -0.012 0.000 0.985 7 E CA 1.549 57.941 56.400 -0.013 0.000 0.801 7 E CB -0.024 29.671 29.700 -0.010 0.000 0.750 7 E HN 0.448 nan 8.360 nan 0.000 0.452 8 E N -0.039 120.153 120.200 -0.014 0.000 2.110 8 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 8 E C 2.036 178.626 176.600 -0.015 0.000 0.988 8 E CA 1.108 57.500 56.400 -0.012 0.000 0.804 8 E CB 0.045 29.736 29.700 -0.014 0.000 0.745 8 E HN 0.071 nan 8.360 nan 0.000 0.458 9 V N 1.637 121.534 119.914 -0.028 0.000 2.358 9 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 9 V C 1.994 178.069 176.094 -0.032 0.000 1.047 9 V CA 1.811 64.085 62.300 -0.043 0.000 1.035 9 V CB -0.469 31.314 31.823 -0.066 0.000 0.658 9 V HN 0.236 nan 8.190 nan 0.000 0.452 10 E N -0.071 120.116 120.200 -0.022 0.000 2.153 10 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 10 E C 2.392 178.998 176.600 0.010 0.000 0.988 10 E CA 1.441 57.836 56.400 -0.008 0.000 0.811 10 E CB -0.230 29.466 29.700 -0.008 0.000 0.746 10 E HN 0.507 nan 8.360 nan 0.000 0.466 11 S N 0.752 116.457 115.700 0.008 0.000 2.368 11 S HA -0.120 4.349 4.470 -0.001 0.000 0.224 11 S C 1.926 176.544 174.600 0.030 0.000 1.029 11 S CA 0.585 58.794 58.200 0.016 0.000 0.988 11 S CB -0.089 63.116 63.200 0.008 0.000 0.838 11 S HN 0.178 nan 8.310 nan 0.000 0.462 12 L N 1.832 123.076 121.223 0.034 0.000 2.083 12 L HA 0.053 4.392 4.340 -0.001 0.000 0.209 12 L C 1.933 178.881 176.870 0.129 0.000 1.083 12 L CA 1.681 56.563 54.840 0.070 0.000 0.752 12 L CB -0.650 41.450 42.059 0.068 0.000 0.899 12 L HN 0.393 nan 8.230 nan 0.000 0.433 13 I N -0.984 119.655 120.570 0.116 0.000 2.226 13 I HA -0.282 3.887 4.170 -0.001 0.000 0.245 13 I C 2.445 178.636 176.117 0.124 0.000 1.100 13 I CA 1.037 62.440 61.300 0.173 0.000 1.374 13 I CB -0.320 37.742 38.000 0.103 0.000 1.057 13 I HN 0.337 nan 8.210 nan 0.000 0.413 14 Q N 0.880 120.724 119.800 0.074 0.000 2.119 14 Q HA -0.182 4.157 4.340 -0.001 0.000 0.201 14 Q C 1.968 177.989 176.000 0.035 0.000 0.972 14 Q CA 1.543 57.378 55.803 0.052 0.000 0.847 14 Q CB -0.125 28.636 28.738 0.037 0.000 0.903 14 Q HN 0.480 nan 8.270 nan 0.000 0.433 15 E N -1.094 119.126 120.200 0.033 0.000 2.072 15 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 15 E C 1.942 178.545 176.600 0.004 0.000 0.985 15 E CA 1.272 57.681 56.400 0.016 0.000 0.801 15 E CB 0.027 29.736 29.700 0.016 0.000 0.750 15 E HN 0.108 nan 8.360 nan 0.000 0.452 16 V N 1.426 121.344 119.914 0.006 0.000 2.343 16 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 16 V C 2.175 178.234 176.094 -0.058 0.000 1.051 16 V CA 1.424 63.702 62.300 -0.037 0.000 1.036 16 V CB -0.337 31.423 31.823 -0.105 0.000 0.654 16 V HN 0.288 nan 8.190 nan 0.000 0.451 17 L N -0.228 120.953 121.223 -0.071 0.000 2.549 17 L HA -0.102 4.237 4.340 -0.001 0.000 0.229 17 L C 2.321 179.091 176.870 -0.167 0.000 1.158 17 L CA 0.842 55.581 54.840 -0.168 0.000 0.842 17 L CB -0.544 41.540 42.059 0.042 0.000 0.952 17 L HN 0.448 nan 8.230 nan 0.000 0.452 18 E N -0.474 119.665 120.200 -0.102 0.000 2.204 18 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 18 E C 2.221 178.763 176.600 -0.097 0.000 0.989 18 E CA 0.841 57.203 56.400 -0.063 0.000 0.824 18 E CB 0.024 29.707 29.700 -0.028 0.000 0.756 18 E HN 0.283 nan 8.360 nan 0.000 0.477 19 V N 0.815 120.608 119.914 -0.202 0.000 2.759 19 V HA -0.149 3.970 4.120 -0.001 0.000 0.256 19 V C 0.186 176.202 176.094 -0.130 0.000 1.080 19 V CA 0.837 63.006 62.300 -0.218 0.000 1.101 19 V CB -0.307 31.285 31.823 -0.386 0.000 0.698 19 V HN 0.086 nan 8.190 nan 0.000 0.477 20 Y N 1.345 121.577 120.300 -0.112 0.000 2.480 20 Y HA 0.364 4.914 4.550 -0.002 0.000 0.338 20 Y C -1.201 174.668 175.900 -0.051 0.000 1.220 20 Y CA -3.329 54.717 58.100 -0.089 0.000 1.430 20 Y CB -1.040 37.390 38.460 -0.050 0.000 1.311 20 Y HN 0.210 nan 8.280 nan 0.000 0.575 21 P HA -0.058 nan 4.420 nan 0.000 0.270 21 P C 0.727 178.070 177.300 0.072 0.000 1.221 21 P CA 0.056 63.192 63.100 0.060 0.000 0.788 21 P CB 0.775 32.486 31.700 0.019 0.000 0.904 22 E N 1.625 121.852 120.200 0.046 0.000 2.077 22 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 22 E C 1.733 178.357 176.600 0.040 0.000 0.989 22 E CA 1.733 58.161 56.400 0.047 0.000 0.800 22 E CB -0.357 29.362 29.700 0.031 0.000 0.746 22 E HN 0.339 nan 8.360 nan 0.000 0.452 23 K N -0.501 119.911 120.400 0.019 0.000 2.026 23 K HA -0.114 4.206 4.320 -0.001 0.000 0.208 23 K C 2.033 178.629 176.600 -0.006 0.000 1.048 23 K CA 1.374 57.665 56.287 0.007 0.000 0.929 23 K CB -0.302 32.195 32.500 -0.006 0.000 0.713 23 K HN 0.170 nan 8.250 nan 0.000 0.439 24 A N 1.341 124.136 122.820 -0.043 0.000 1.969 24 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 24 A C 2.139 179.687 177.584 -0.060 0.000 1.169 24 A CA 1.227 53.178 52.037 -0.143 0.000 0.635 24 A CB -0.485 18.321 19.000 -0.323 0.000 0.810 24 A HN 0.322 nan 8.150 nan 0.000 0.445 25 R N -0.053 120.510 120.500 0.104 0.000 2.075 25 R HA -0.108 4.231 4.340 -0.001 0.000 0.232 25 R C 2.042 178.437 176.300 0.157 0.000 1.126 25 R CA 1.704 57.947 56.100 0.238 0.000 0.963 25 R CB -0.218 30.203 30.300 0.201 0.000 0.858 25 R HN 0.529 nan 8.270 nan 0.000 0.435 26 K N 0.015 120.474 120.400 0.098 0.000 2.057 26 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 26 K C 1.778 178.437 176.600 0.097 0.000 1.049 26 K CA 1.835 58.172 56.287 0.083 0.000 0.931 26 K CB -0.219 32.315 32.500 0.056 0.000 0.714 26 K HN 0.168 nan 8.250 nan 0.000 0.440 27 D N 0.380 120.835 120.400 0.092 0.000 2.097 27 D HA -0.111 4.528 4.640 -0.001 0.000 0.197 27 D C 1.920 178.360 176.300 0.232 0.000 0.984 27 D CA 0.989 55.068 54.000 0.133 0.000 0.826 27 D CB 0.271 41.114 40.800 0.073 0.000 0.973 27 D HN -0.064 nan 8.370 nan 0.000 0.460 28 R N 0.468 121.072 120.500 0.172 0.000 2.148 28 R HA -0.038 4.302 4.340 -0.001 0.000 0.227 28 R C 1.942 178.413 176.300 0.286 0.000 1.103 28 R CA 0.350 56.595 56.100 0.242 0.000 0.983 28 R CB -1.136 29.326 30.300 0.269 0.000 0.874 28 R HN 0.436 nan 8.270 nan 0.000 0.451 29 N N 1.470 120.303 118.700 0.221 0.000 2.309 29 N HA -0.129 4.610 4.740 -0.001 0.000 0.182 29 N C 0.998 176.577 175.510 0.115 0.000 1.018 29 N CA 0.922 54.070 53.050 0.164 0.000 0.876 29 N CB 0.206 38.765 38.487 0.121 0.000 0.972 29 N HN 0.250 nan 8.380 nan 0.000 0.434 30 K N -0.614 119.851 120.400 0.108 0.000 2.211 30 K HA -0.091 4.228 4.320 -0.001 0.000 0.203 30 K C 0.788 177.284 176.600 -0.174 0.000 1.050 30 K CA 0.955 57.216 56.287 -0.043 0.000 0.945 30 K CB -0.059 32.384 32.500 -0.095 0.000 0.732 30 K HN 0.371 nan 8.250 nan 0.000 0.451 31 H N -0.462 118.636 119.070 0.046 0.000 2.551 31 H HA 0.240 4.795 4.556 -0.001 0.000 0.271 31 H C -0.387 174.984 175.328 0.073 0.000 0.984 31 H CA 0.069 56.144 56.048 0.045 0.000 1.164 31 H CB 0.246 30.068 29.762 0.099 0.000 1.437 31 H HN -0.082 nan 8.280 nan 0.000 0.550 32 L N 0.884 122.204 121.223 0.163 0.000 2.349 32 L HA 0.745 5.084 4.340 -0.001 0.000 0.278 32 L C -0.377 176.510 176.870 0.027 0.000 0.996 32 L CA -0.919 54.002 54.840 0.135 0.000 0.825 32 L CB 1.768 43.956 42.059 0.216 0.000 1.243 32 L HN 0.083 nan 8.230 nan 0.000 0.412 33 A N 3.070 125.873 122.820 -0.028 0.000 2.527 33 A HA 0.846 5.165 4.320 -0.001 0.000 0.293 33 A C -1.195 176.341 177.584 -0.079 0.000 1.117 33 A CA -0.535 51.468 52.037 -0.057 0.000 0.723 33 A CB 2.116 21.072 19.000 -0.075 0.000 1.313 33 A HN 0.313 nan 8.150 nan 0.000 0.411 34 V N 2.556 122.430 119.914 -0.066 0.000 2.347 34 V HA 0.249 4.368 4.120 -0.001 0.000 0.280 34 V C 0.487 176.547 176.094 -0.058 0.000 1.021 34 V CA -0.820 61.438 62.300 -0.069 0.000 0.847 34 V CB 1.220 33.011 31.823 -0.054 0.000 0.990 34 V HN 0.886 nan 8.190 nan 0.000 0.444 35 N N 3.575 122.238 118.700 -0.061 0.000 2.492 35 N HA 0.027 4.766 4.740 -0.001 0.000 0.262 35 N C -1.101 174.387 175.510 -0.037 0.000 1.202 35 N CA -0.046 52.977 53.050 -0.046 0.000 0.926 35 N CB 0.885 39.344 38.487 -0.047 0.000 1.078 35 N HN 0.690 nan 8.380 nan 0.000 0.454 36 D N 4.018 124.401 120.400 -0.029 0.000 2.471 36 D HA 0.337 4.976 4.640 -0.001 0.000 0.245 36 D C -2.029 174.258 176.300 -0.022 0.000 1.116 36 D CA -2.116 51.869 54.000 -0.025 0.000 0.853 36 D CB 1.978 42.764 40.800 -0.023 0.000 1.123 36 D HN 0.304 nan 8.370 nan 0.000 0.540 37 P HA 0.020 nan 4.420 nan 0.000 0.223 37 P C 0.912 178.200 177.300 -0.020 0.000 1.151 37 P CA 0.692 63.779 63.100 -0.022 0.000 0.787 37 P CB 0.397 32.082 31.700 -0.025 0.000 0.788 38 A N -0.513 122.296 122.820 -0.020 0.000 1.930 38 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 38 A C 1.107 178.681 177.584 -0.017 0.000 1.175 38 A CA 0.817 52.843 52.037 -0.018 0.000 0.627 38 A CB -1.295 17.695 19.000 -0.017 0.000 0.815 38 A HN 0.023 nan 8.150 nan 0.000 0.443 39 V N 1.575 121.479 119.914 -0.016 0.000 2.529 39 V HA 0.125 4.244 4.120 -0.001 0.000 0.292 39 V C 1.606 177.693 176.094 -0.012 0.000 1.028 39 V CA 1.083 63.374 62.300 -0.014 0.000 1.074 39 V CB 0.751 32.564 31.823 -0.016 0.000 0.958 39 V HN 0.651 nan 8.190 nan 0.000 0.481 40 T N 1.067 115.614 114.554 -0.012 0.000 3.054 40 T HA 0.206 4.555 4.350 -0.001 0.000 0.255 40 T C 0.466 175.163 174.700 -0.006 0.000 1.035 40 T CA -0.075 62.018 62.100 -0.011 0.000 0.941 40 T CB 0.093 68.952 68.868 -0.015 0.000 1.026 40 T HN 0.630 nan 8.240 nan 0.000 0.533 41 Q N 1.886 121.683 119.800 -0.006 0.000 2.425 41 Q HA 0.398 4.737 4.340 -0.001 0.000 0.254 41 Q C 0.761 176.757 176.000 -0.006 0.000 1.032 41 Q CA -0.436 55.365 55.803 -0.003 0.000 0.798 41 Q CB 1.764 30.499 28.738 -0.006 0.000 1.210 41 Q HN 0.475 nan 8.270 nan 0.000 0.491 42 S N 1.920 117.623 115.700 0.005 0.000 2.447 42 S HA -0.116 4.354 4.470 -0.001 0.000 0.233 42 S C 1.491 176.065 174.600 -0.042 0.000 1.006 42 S CA 0.521 58.720 58.200 -0.003 0.000 0.957 42 S CB 0.110 63.343 63.200 0.055 0.000 0.773 42 S HN 0.398 nan 8.310 nan 0.000 0.507 43 K N 1.730 122.113 120.400 -0.028 0.000 2.097 43 K HA -0.008 4.311 4.320 -0.001 0.000 0.206 43 K C 2.065 178.635 176.600 -0.051 0.000 1.049 43 K CA 1.196 57.458 56.287 -0.042 0.000 0.933 43 K CB -0.272 32.217 32.500 -0.019 0.000 0.717 43 K HN 0.493 nan 8.250 nan 0.000 0.442 44 K N -0.027 120.350 120.400 -0.038 0.000 2.057 44 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 44 K C 2.182 178.752 176.600 -0.049 0.000 1.049 44 K CA 1.568 57.833 56.287 -0.037 0.000 0.931 44 K CB -0.038 32.447 32.500 -0.026 0.000 0.714 44 K HN 0.147 nan 8.250 nan 0.000 0.440 45 C N 0.012 119.277 119.300 -0.059 0.000 2.735 45 C HA 0.389 4.849 4.460 -0.001 0.000 0.271 45 C C 0.953 175.877 174.990 -0.110 0.000 1.281 45 C CA -0.599 58.376 59.018 -0.070 0.000 1.719 45 C CB -0.302 27.403 27.740 -0.058 0.000 2.024 45 C HN 0.361 nan 8.230 nan 0.000 0.566 46 I N -0.590 119.888 120.570 -0.154 0.000 2.984 46 I HA 0.511 4.680 4.170 -0.001 0.000 0.303 46 I C -2.110 173.836 176.117 -0.286 0.000 1.381 46 I CA -0.694 60.462 61.300 -0.241 0.000 0.988 46 I CB 1.894 39.687 38.000 -0.346 0.000 1.307 46 I HN -0.129 nan 8.210 nan 0.000 0.460 47 I N 4.295 124.638 120.570 -0.378 0.000 2.569 47 I HA 0.687 4.856 4.170 -0.001 0.000 0.296 47 I C -0.559 175.341 176.117 -0.361 0.000 1.028 47 I CA 0.064 61.149 61.300 -0.359 0.000 1.082 47 I CB 1.974 39.771 38.000 -0.338 0.000 1.264 47 I HN 0.637 nan 8.210 nan 0.000 0.429 48 S N 4.341 119.982 115.700 -0.097 0.000 2.806 48 S HA 0.494 4.963 4.470 -0.001 0.000 0.306 48 S C -0.033 174.667 174.600 0.166 0.000 1.167 48 S CA -0.477 57.809 58.200 0.143 0.000 0.847 48 S CB 1.106 64.437 63.200 0.218 0.000 1.216 48 S HN 0.888 nan 8.310 nan 0.000 0.532 49 N N 0.381 119.212 118.700 0.217 0.000 2.725 49 N HA -0.149 4.590 4.740 -0.001 0.000 0.251 49 N C -1.008 174.558 175.510 0.093 0.000 1.031 49 N CA 0.501 53.618 53.050 0.113 0.000 0.720 49 N CB -0.576 37.815 38.487 -0.159 0.000 0.930 49 N HN 0.462 nan 8.380 nan 0.000 0.543 50 K N 0.995 121.496 120.400 0.168 0.000 2.313 50 K HA 0.358 4.677 4.320 -0.001 0.000 0.235 50 K C -0.083 176.577 176.600 0.099 0.000 1.035 50 K CA -0.592 55.779 56.287 0.141 0.000 0.868 50 K CB 0.932 33.569 32.500 0.229 0.000 1.232 50 K HN 0.289 nan 8.250 nan 0.000 0.459 51 K N 0.106 120.547 120.400 0.068 0.000 2.295 51 K HA 0.277 4.596 4.320 -0.001 0.000 0.270 51 K C -0.266 176.342 176.600 0.013 0.000 1.011 51 K CA -0.238 56.077 56.287 0.047 0.000 0.953 51 K CB 0.497 33.020 32.500 0.039 0.000 0.956 51 K HN 0.227 nan 8.250 nan 0.000 0.477 52 S N 2.542 118.253 115.700 0.018 0.000 2.549 52 S HA 0.003 4.473 4.470 -0.001 0.000 0.283 52 S C -0.084 174.499 174.600 -0.029 0.000 1.320 52 S CA -0.669 57.527 58.200 -0.006 0.000 1.058 52 S CB 0.631 63.849 63.200 0.031 0.000 0.882 52 S HN 0.464 nan 8.310 nan 0.000 0.498 53 Q N 3.583 123.342 119.800 -0.068 0.000 2.313 53 Q HA 0.212 4.551 4.340 -0.001 0.000 0.266 53 Q C -1.963 173.995 176.000 -0.069 0.000 0.989 53 Q CA -1.650 54.101 55.803 -0.086 0.000 0.890 53 Q CB 0.080 28.724 28.738 -0.158 0.000 1.200 53 Q HN 0.454 nan 8.270 nan 0.000 0.396 54 P HA 0.048 nan 4.420 nan 0.000 0.271 54 P C 0.347 177.618 177.300 -0.047 0.000 1.218 54 P CA 0.259 63.336 63.100 -0.037 0.000 0.780 54 P CB 0.637 32.319 31.700 -0.030 0.000 0.901 55 G N 2.128 110.911 108.800 -0.029 0.000 2.168 55 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.257 55 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.257 55 G C 0.423 175.304 174.900 -0.032 0.000 0.997 55 G CA 0.266 45.349 45.100 -0.027 0.000 0.708 55 G HN 0.531 nan 8.290 nan 0.000 0.520 56 L N -0.752 120.449 121.223 -0.036 0.000 2.818 56 L HA 0.487 4.826 4.340 -0.001 0.000 0.243 56 L C 1.503 178.388 176.870 0.026 0.000 1.185 56 L CA -0.083 54.741 54.840 -0.027 0.000 0.988 56 L CB 0.138 42.139 42.059 -0.097 0.000 1.292 56 L HN 0.384 nan 8.230 nan 0.000 0.519 57 M N 1.101 120.719 119.600 0.030 0.000 2.399 57 M HA -0.186 4.293 4.480 -0.001 0.000 0.191 57 M C 0.410 176.756 176.300 0.076 0.000 0.732 57 M CA 0.498 55.828 55.300 0.050 0.000 0.512 57 M CB -0.767 31.864 32.600 0.052 0.000 1.191 57 M HN 0.364 nan 8.290 nan 0.000 0.894 58 T N -0.490 114.113 114.554 0.080 0.000 2.898 58 T HA 0.413 4.762 4.350 -0.001 0.000 0.301 58 T C 0.944 175.733 174.700 0.149 0.000 1.049 58 T CA -0.269 61.905 62.100 0.122 0.000 1.095 58 T CB 0.604 69.540 68.868 0.113 0.000 0.976 58 T HN 0.437 nan 8.240 nan 0.000 0.539 59 I N 2.268 122.974 120.570 0.227 0.000 3.793 59 I HA 0.182 4.351 4.170 -0.001 0.000 0.315 59 I C 1.435 177.688 176.117 0.227 0.000 1.275 59 I CA -0.058 61.389 61.300 0.246 0.000 1.214 59 I CB -0.016 38.233 38.000 0.416 0.000 1.018 59 I HN 0.427 nan 8.210 nan 0.000 0.439 60 R N 1.167 121.804 120.500 0.229 0.000 2.590 60 R HA 0.279 4.618 4.340 -0.001 0.000 0.274 60 R C 0.640 177.042 176.300 0.171 0.000 1.061 60 R CA 0.068 56.309 56.100 0.234 0.000 1.081 60 R CB 0.607 31.048 30.300 0.235 0.000 0.984 60 R HN 0.170 nan 8.270 nan 0.000 0.448 61 G N 0.865 109.769 108.800 0.173 0.000 2.583 61 G HA2 0.384 4.343 3.960 -0.001 0.000 0.280 61 G HA3 0.384 4.343 3.960 -0.001 0.000 0.280 61 G C -0.260 174.683 174.900 0.071 0.000 1.376 61 G CA -0.586 44.579 45.100 0.109 0.000 1.043 61 G HN 0.820 nan 8.290 nan 0.000 0.538 62 C N -3.103 116.229 119.300 0.053 0.000 2.564 62 C HA 0.825 5.284 4.460 -0.001 0.000 0.381 62 C C 2.096 177.069 174.990 -0.028 0.000 1.297 62 C CA 0.187 59.223 59.018 0.029 0.000 1.846 62 C CB 1.234 29.009 27.740 0.058 0.000 2.198 62 C HN 1.011 nan 8.230 nan 0.000 0.507 63 A N -0.474 122.318 122.820 -0.046 0.000 1.969 63 A HA -0.060 4.259 4.320 -0.001 0.000 0.218 63 A C 1.898 179.443 177.584 -0.064 0.000 1.169 63 A CA 1.819 53.798 52.037 -0.097 0.000 0.635 63 A CB -1.094 17.838 19.000 -0.113 0.000 0.810 63 A HN 1.215 nan 8.150 nan 0.000 0.445 64 Y N 0.490 120.719 120.300 -0.118 0.000 2.200 64 Y HA -0.017 4.532 4.550 -0.001 0.000 0.290 64 Y C 2.483 178.346 175.900 -0.063 0.000 1.137 64 Y CA 1.256 59.299 58.100 -0.094 0.000 1.163 64 Y CB -0.405 38.000 38.460 -0.092 0.000 0.988 64 Y HN 0.279 nan 8.280 nan 0.000 0.518 65 A N 0.443 123.234 122.820 -0.049 0.000 1.930 65 A HA -0.039 4.280 4.320 -0.001 0.000 0.217 65 A C 2.434 179.903 177.584 -0.192 0.000 1.175 65 A CA 1.533 53.492 52.037 -0.129 0.000 0.627 65 A CB -1.684 17.338 19.000 0.037 0.000 0.815 65 A HN 0.612 nan 8.150 nan 0.000 0.443 66 G N -1.020 107.671 108.800 -0.182 0.000 2.418 66 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.217 66 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.217 66 G C 1.938 176.787 174.900 -0.084 0.000 1.158 66 G CA 1.551 46.532 45.100 -0.200 0.000 0.771 66 G HN 0.559 nan 8.290 nan 0.000 0.545 67 S N -0.530 115.096 115.700 -0.124 0.000 2.341 67 S HA 0.016 4.485 4.470 -0.001 0.000 0.216 67 S C 2.275 176.834 174.600 -0.067 0.000 1.034 67 S CA 1.491 59.679 58.200 -0.020 0.000 0.964 67 S CB -0.254 62.940 63.200 -0.011 0.000 0.882 67 S HN 0.234 nan 8.310 nan 0.000 0.469 68 K N 0.735 120.924 120.400 -0.352 0.000 2.007 68 K HA 0.010 4.329 4.320 -0.001 0.000 0.206 68 K C 2.158 178.563 176.600 -0.325 0.000 1.047 68 K CA 1.603 57.644 56.287 -0.411 0.000 0.937 68 K CB -1.221 30.793 32.500 -0.809 0.000 0.718 68 K HN 0.427 nan 8.250 nan 0.000 0.438 69 G N 0.771 109.359 108.800 -0.354 0.000 2.402 69 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.216 69 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.216 69 G C 1.617 176.406 174.900 -0.184 0.000 1.162 69 G CA 0.897 45.877 45.100 -0.200 0.000 0.777 69 G HN 0.200 nan 8.290 nan 0.000 0.539 70 V N -0.076 119.710 119.914 -0.213 0.000 2.278 70 V HA -0.041 4.078 4.120 -0.001 0.000 0.238 70 V C 2.848 178.721 176.094 -0.368 0.000 1.039 70 V CA 1.315 63.431 62.300 -0.307 0.000 1.017 70 V CB -0.206 31.471 31.823 -0.244 0.000 0.657 70 V HN 0.204 nan 8.190 nan 0.000 0.462 71 V N -1.654 118.120 119.914 -0.233 0.000 2.331 71 V HA -0.142 3.977 4.120 -0.001 0.000 0.242 71 V C 2.039 177.937 176.094 -0.326 0.000 1.034 71 V CA 1.734 63.908 62.300 -0.211 0.000 1.027 71 V CB -0.680 31.023 31.823 -0.201 0.000 0.667 71 V HN 0.614 nan 8.190 nan 0.000 0.457 72 W N 0.845 122.013 121.300 -0.220 0.000 2.443 72 W HA 0.138 4.796 4.660 -0.002 0.000 0.296 72 W C 2.576 178.646 176.519 -0.748 0.000 1.202 72 W CA 1.187 58.308 57.345 -0.373 0.000 1.312 72 W CB -1.034 28.213 29.460 -0.356 0.000 1.120 72 W HN 0.275 nan 8.180 nan 0.000 0.536 73 G N 0.929 109.479 108.800 -0.416 0.000 2.469 73 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.219 73 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.219 73 G C -0.866 173.915 174.900 -0.197 0.000 1.150 73 G CA 1.185 46.042 45.100 -0.406 0.000 0.763 73 G HN 0.166 nan 8.290 nan 0.000 0.561 74 P HA 0.027 nan 4.420 nan 0.000 0.220 74 P C 0.686 177.977 177.300 -0.016 0.000 1.148 74 P CA 0.382 63.463 63.100 -0.033 0.000 0.803 74 P CB 0.058 31.777 31.700 0.031 0.000 0.782 75 I N 1.543 122.116 120.570 0.004 0.000 2.769 75 I HA -0.113 4.056 4.170 -0.001 0.000 0.285 75 I C 1.925 178.130 176.117 0.147 0.000 1.173 75 I CA 0.307 61.648 61.300 0.067 0.000 1.389 75 I CB 0.319 38.377 38.000 0.098 0.000 1.404 75 I HN 0.073 nan 8.210 nan 0.000 0.544 76 K N 4.918 125.339 120.400 0.034 0.000 2.097 76 K HA -0.156 4.163 4.320 -0.001 0.000 0.205 76 K C 0.716 177.360 176.600 0.075 0.000 1.050 76 K CA 1.390 57.658 56.287 -0.032 0.000 0.938 76 K CB -0.081 32.356 32.500 -0.105 0.000 0.718 76 K HN 0.667 nan 8.250 nan 0.000 0.442 77 D N 0.446 120.911 120.400 0.108 0.000 2.336 77 D HA 0.105 4.744 4.640 -0.001 0.000 0.228 77 D C 0.230 176.648 176.300 0.196 0.000 1.120 77 D CA 0.050 54.168 54.000 0.197 0.000 0.839 77 D CB -0.013 40.861 40.800 0.122 0.000 0.932 77 D HN 0.225 nan 8.370 nan 0.000 0.509 78 M N 0.054 119.690 119.600 0.060 0.000 2.662 78 M HA 0.462 4.941 4.480 -0.001 0.000 0.310 78 M C -0.693 175.264 176.300 -0.571 0.000 1.204 78 M CA -0.908 54.237 55.300 -0.260 0.000 0.891 78 M CB 2.964 35.390 32.600 -0.290 0.000 1.732 78 M HN -0.237 nan 8.290 nan 0.000 0.467 79 I N 1.868 121.923 120.570 -0.860 0.000 2.362 79 I HA 0.268 4.437 4.170 -0.001 0.000 0.289 79 I C -0.718 174.837 176.117 -0.937 0.000 0.994 79 I CA -0.712 59.927 61.300 -1.102 0.000 1.158 79 I CB 0.937 37.997 38.000 -1.565 0.000 1.315 79 I HN 0.504 nan 8.210 nan 0.000 0.451 80 H N 7.074 125.934 119.070 -0.350 0.000 2.597 80 H HA 0.364 4.919 4.556 -0.002 0.000 0.303 80 H C -0.296 174.966 175.328 -0.110 0.000 1.057 80 H CA -0.613 55.325 56.048 -0.184 0.000 1.261 80 H CB 1.463 31.203 29.762 -0.037 0.000 1.397 80 H HN 0.274 nan 8.280 nan 0.000 0.461 81 I N 2.771 123.294 120.570 -0.078 0.000 2.312 81 I HA 0.015 4.184 4.170 -0.001 0.000 0.291 81 I C 0.671 176.832 176.117 0.073 0.000 1.031 81 I CA -0.195 61.100 61.300 -0.007 0.000 1.293 81 I CB 0.645 38.573 38.000 -0.120 0.000 1.403 81 I HN 0.326 nan 8.210 nan 0.000 0.484 82 S N 5.948 121.736 115.700 0.147 0.000 2.411 82 S HA 0.111 4.580 4.470 -0.001 0.000 0.304 82 S C -0.032 174.634 174.600 0.109 0.000 1.098 82 S CA -0.220 58.080 58.200 0.166 0.000 1.068 82 S CB -0.472 62.821 63.200 0.155 0.000 1.032 82 S HN 0.423 nan 8.310 nan 0.000 0.511 83 H N 2.406 121.437 119.070 -0.065 0.000 2.705 83 H HA 0.618 5.174 4.556 -0.001 0.000 0.291 83 H C 0.587 175.716 175.328 -0.331 0.000 1.085 83 H CA 1.127 57.087 56.048 -0.147 0.000 1.357 83 H CB -0.040 29.639 29.762 -0.138 0.000 1.419 83 H HN 0.814 nan 8.280 nan 0.000 0.462 84 G N 4.200 112.659 108.800 -0.568 0.000 2.302 84 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.264 84 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.264 84 G C -2.902 171.795 174.900 -0.339 0.000 1.335 84 G CA -0.924 43.677 45.100 -0.831 0.000 0.982 84 G HN 0.508 nan 8.290 nan 0.000 0.473 85 P HA 0.342 nan 4.420 nan 0.000 0.272 85 P C 1.142 178.389 177.300 -0.088 0.000 1.240 85 P CA -0.133 62.933 63.100 -0.056 0.000 0.791 85 P CB 1.270 32.939 31.700 -0.051 0.000 0.978 86 V N 1.922 121.804 119.914 -0.053 0.000 2.720 86 V HA -0.134 3.985 4.120 -0.001 0.000 0.256 86 V C 2.033 178.009 176.094 -0.197 0.000 1.082 86 V CA 2.707 64.952 62.300 -0.091 0.000 1.101 86 V CB -1.476 30.313 31.823 -0.056 0.000 0.693 86 V HN 0.767 nan 8.190 nan 0.000 0.479 87 G N -0.671 107.996 108.800 -0.222 0.000 2.446 87 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 87 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 87 G C 1.738 176.284 174.900 -0.590 0.000 1.168 87 G CA 1.363 46.196 45.100 -0.445 0.000 0.771 87 G HN 0.609 nan 8.290 nan 0.000 0.551 88 C N 0.967 120.075 119.300 -0.320 0.000 2.398 88 C HA 0.033 4.492 4.460 -0.001 0.000 0.276 88 C C 3.227 178.134 174.990 -0.138 0.000 1.222 88 C CA 0.621 59.471 59.018 -0.279 0.000 1.746 88 C CB -1.386 25.944 27.740 -0.684 0.000 2.039 88 C HN 0.473 nan 8.230 nan 0.000 0.470 89 G N -0.422 108.301 108.800 -0.129 0.000 2.408 89 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 89 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 89 G C 1.587 176.457 174.900 -0.050 0.000 1.150 89 G CA 1.108 46.221 45.100 0.022 0.000 0.776 89 G HN 0.573 nan 8.290 nan 0.000 0.542 90 Q N -0.257 119.416 119.800 -0.212 0.000 2.079 90 Q HA -0.071 4.268 4.340 -0.001 0.000 0.200 90 Q C 2.127 178.031 176.000 -0.160 0.000 0.974 90 Q CA 1.287 56.952 55.803 -0.231 0.000 0.840 90 Q CB -0.418 28.111 28.738 -0.348 0.000 0.898 90 Q HN 0.560 nan 8.270 nan 0.000 0.430 91 Y N -0.253 120.073 120.300 0.043 0.000 2.439 91 Y HA 0.019 4.568 4.550 -0.002 0.000 0.292 91 Y C 2.267 178.208 175.900 0.070 0.000 1.130 91 Y CA 1.022 59.152 58.100 0.050 0.000 1.254 91 Y CB -0.473 38.013 38.460 0.043 0.000 1.000 91 Y HN 0.273 nan 8.280 nan 0.000 0.554 92 S N -0.615 115.192 115.700 0.177 0.000 2.540 92 S HA 0.088 4.557 4.470 -0.001 0.000 0.218 92 S C 0.926 175.589 174.600 0.105 0.000 0.977 92 S CA -0.592 57.700 58.200 0.154 0.000 0.918 92 S CB -0.153 63.159 63.200 0.186 0.000 0.806 92 S HN 0.259 nan 8.310 nan 0.000 0.496 93 R N 1.904 122.455 120.500 0.084 0.000 2.399 93 R HA 0.347 4.686 4.340 -0.001 0.000 0.324 93 R C 0.669 177.016 176.300 0.078 0.000 1.030 93 R CA 0.787 56.926 56.100 0.066 0.000 0.984 93 R CB -0.520 29.800 30.300 0.033 0.000 0.961 93 R HN 0.505 nan 8.270 nan 0.000 0.433 94 A N 3.077 125.950 122.820 0.087 0.000 2.847 94 A HA -0.206 4.114 4.320 -0.001 0.000 0.263 94 A C 1.264 178.915 177.584 0.112 0.000 1.391 94 A CA 1.134 53.235 52.037 0.107 0.000 0.866 94 A CB -2.110 16.951 19.000 0.102 0.000 1.057 94 A HN 0.965 nan 8.150 nan 0.000 0.673 95 G N -0.768 108.093 108.800 0.101 0.000 2.404 95 G HA2 0.070 4.029 3.960 -0.001 0.000 0.215 95 G HA3 0.070 4.029 3.960 -0.001 0.000 0.215 95 G C 0.778 175.733 174.900 0.093 0.000 1.174 95 G CA 0.979 46.141 45.100 0.102 0.000 0.780 95 G HN 0.867 nan 8.290 nan 0.000 0.537 96 R N 0.549 121.087 120.500 0.064 0.000 2.312 96 R HA 0.339 4.678 4.340 -0.001 0.000 0.311 96 R C -0.186 176.154 176.300 0.066 0.000 1.004 96 R CA -0.635 55.481 56.100 0.027 0.000 0.902 96 R CB 0.560 30.849 30.300 -0.019 0.000 1.073 96 R HN 0.045 nan 8.270 nan 0.000 0.457 97 R N 3.870 124.394 120.500 0.040 0.000 4.496 97 R HA 0.068 4.407 4.340 -0.001 0.000 0.211 97 R C -0.438 175.890 176.300 0.047 0.000 1.738 97 R CA -0.088 56.080 56.100 0.113 0.000 1.528 97 R CB -0.389 29.954 30.300 0.071 0.000 1.414 97 R HN 0.592 nan 8.270 nan 0.000 0.812 98 N N 1.734 120.508 118.700 0.124 0.000 2.555 98 N HA 0.021 4.760 4.740 -0.001 0.000 0.244 98 N C -0.668 175.007 175.510 0.276 0.000 1.114 98 N CA -0.322 52.782 53.050 0.090 0.000 0.963 98 N CB 0.477 39.007 38.487 0.073 0.000 1.276 98 N HN 0.064 nan 8.380 nan 0.000 0.510 99 Y N 2.294 122.529 120.300 -0.107 0.000 2.597 99 Y HA 0.034 4.584 4.550 0.001 0.000 0.336 99 Y C 0.407 176.249 175.900 -0.097 0.000 1.216 99 Y CA -0.738 57.263 58.100 -0.165 0.000 1.463 99 Y CB -0.099 38.101 38.460 -0.432 0.000 1.303 99 Y HN 0.494 nan 8.280 nan 0.000 0.576 100 Y N 0.021 120.397 120.300 0.127 0.000 2.638 100 Y HA 0.694 5.245 4.550 0.001 0.000 0.335 100 Y C -1.737 174.394 175.900 0.385 0.000 1.155 100 Y CA -1.903 56.371 58.100 0.291 0.000 1.046 100 Y CB 0.916 39.473 38.460 0.162 0.000 1.303 100 Y HN 0.229 nan 8.280 nan 0.000 0.460 101 I N 2.400 123.227 120.570 0.429 0.000 2.339 101 I HA 0.785 4.954 4.170 -0.001 0.000 0.290 101 I C 0.330 176.574 176.117 0.212 0.000 0.994 101 I CA -0.104 61.298 61.300 0.169 0.000 1.191 101 I CB 0.640 38.702 38.000 0.102 0.000 1.343 101 I HN 0.995 nan 8.210 nan 0.000 0.458 102 G N 4.228 113.092 108.800 0.106 0.000 2.390 102 G HA2 0.370 4.329 3.960 -0.001 0.000 0.294 102 G HA3 0.370 4.329 3.960 -0.001 0.000 0.294 102 G C -1.465 173.480 174.900 0.075 0.000 1.388 102 G CA -0.432 44.760 45.100 0.154 0.000 0.804 102 G HN 0.299 nan 8.290 nan 0.000 0.505 103 T N 1.787 116.362 114.554 0.035 0.000 2.963 103 T HA 0.496 4.845 4.350 -0.001 0.000 0.343 103 T C 0.186 174.869 174.700 -0.029 0.000 1.146 103 T CA -0.190 61.913 62.100 0.006 0.000 1.016 103 T CB 0.691 69.555 68.868 -0.007 0.000 1.046 103 T HN 0.582 nan 8.240 nan 0.000 0.496 104 T N 2.566 117.141 114.554 0.036 0.000 2.867 104 T HA 0.381 4.730 4.350 -0.001 0.000 0.297 104 T C 1.565 176.288 174.700 0.040 0.000 0.989 104 T CA 0.970 63.088 62.100 0.030 0.000 1.159 104 T CB 0.409 69.359 68.868 0.138 0.000 0.928 104 T HN 0.939 nan 8.240 nan 0.000 0.538 105 G N 2.011 110.827 108.800 0.026 0.000 2.217 105 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.246 105 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.246 105 G C 0.750 175.858 174.900 0.347 0.000 0.990 105 G CA 0.278 45.583 45.100 0.342 0.000 0.627 105 G HN 0.624 nan 8.290 nan 0.000 0.522 106 V N 1.134 121.061 119.914 0.020 0.000 2.735 106 V HA 0.179 4.298 4.120 -0.001 0.000 0.234 106 V C 1.959 178.045 176.094 -0.014 0.000 1.121 106 V CA 1.886 64.240 62.300 0.090 0.000 1.160 106 V CB 0.078 31.926 31.823 0.041 0.000 0.908 106 V HN 0.653 nan 8.190 nan 0.000 0.495 107 N N 0.337 118.869 118.700 -0.279 0.000 2.145 107 N HA 0.263 5.002 4.740 -0.001 0.000 0.219 107 N C 0.003 175.142 175.510 -0.617 0.000 1.266 107 N CA 0.610 53.510 53.050 -0.251 0.000 0.902 107 N CB 1.444 39.900 38.487 -0.051 0.000 1.078 107 N HN 0.381 nan 8.380 nan 0.000 0.513 108 A N 0.253 122.517 122.820 -0.927 0.000 2.371 108 A HA 0.713 5.032 4.320 -0.001 0.000 0.311 108 A C -1.218 175.752 177.584 -1.023 0.000 1.068 108 A CA -0.592 51.021 52.037 -0.706 0.000 0.744 108 A CB 0.624 19.558 19.000 -0.110 0.000 1.239 108 A HN 0.133 nan 8.150 nan 0.000 0.435 109 F N 1.578 121.503 119.950 -0.041 0.000 2.899 109 F HA 0.150 4.678 4.527 0.002 0.000 0.337 109 F C 1.470 177.283 175.800 0.021 0.000 1.129 109 F CA -0.124 57.900 58.000 0.040 0.000 1.128 109 F CB 0.089 39.136 39.000 0.077 0.000 1.154 109 F HN 0.340 nan 8.300 nan 0.000 0.531 110 V N 0.538 120.404 119.914 -0.080 0.000 2.317 110 V HA -0.349 3.770 4.120 -0.001 0.000 0.251 110 V C 2.480 178.612 176.094 0.063 0.000 1.065 110 V CA 2.869 65.101 62.300 -0.113 0.000 1.049 110 V CB -1.137 30.342 31.823 -0.574 0.000 0.651 110 V HN 0.610 nan 8.190 nan 0.000 0.450 111 T N -3.478 111.154 114.554 0.130 0.000 3.148 111 T HA 0.204 4.553 4.350 -0.001 0.000 0.253 111 T C 0.562 175.312 174.700 0.085 0.000 1.134 111 T CA 0.154 62.340 62.100 0.145 0.000 1.051 111 T CB -0.241 68.735 68.868 0.180 0.000 0.959 111 T HN 0.303 nan 8.240 nan 0.000 0.525 112 M N 2.411 122.056 119.600 0.076 0.000 2.255 112 M HA 0.370 4.849 4.480 -0.001 0.000 0.336 112 M C -0.025 176.202 176.300 -0.122 0.000 1.135 112 M CA -0.622 54.635 55.300 -0.073 0.000 1.145 112 M CB 0.734 33.232 32.600 -0.170 0.000 1.473 112 M HN -0.000 nan 8.290 nan 0.000 0.462 113 N N 2.156 120.693 118.700 -0.271 0.000 2.518 113 N HA 0.384 5.123 4.740 -0.001 0.000 0.254 113 N C -2.087 173.231 175.510 -0.319 0.000 0.979 113 N CA -0.226 52.723 53.050 -0.167 0.000 0.930 113 N CB 0.392 38.826 38.487 -0.089 0.000 1.152 113 N HN 0.355 nan 8.380 nan 0.000 0.505 114 F N 1.411 121.351 119.950 -0.017 0.000 2.415 114 F HA 0.521 5.047 4.527 -0.002 0.000 0.348 114 F C 1.053 176.849 175.800 -0.006 0.000 1.119 114 F CA -0.423 57.553 58.000 -0.040 0.000 1.069 114 F CB 2.095 41.028 39.000 -0.113 0.000 1.124 114 F HN 0.234 nan 8.300 nan 0.000 0.472 115 T N -0.040 114.608 114.554 0.158 0.000 2.853 115 T HA 0.289 4.638 4.350 -0.001 0.000 0.311 115 T C 0.495 175.287 174.700 0.153 0.000 1.307 115 T CA -0.334 61.845 62.100 0.131 0.000 1.019 115 T CB 1.283 70.189 68.868 0.064 0.000 1.264 115 T HN 0.536 nan 8.240 nan 0.000 0.497 116 S N 1.715 117.543 115.700 0.214 0.000 2.527 116 S HA 0.116 4.586 4.470 -0.001 0.000 0.222 116 S C 0.681 175.445 174.600 0.274 0.000 0.985 116 S CA 0.889 59.271 58.200 0.304 0.000 0.921 116 S CB -0.577 62.980 63.200 0.595 0.000 0.772 116 S HN 1.010 nan 8.310 nan 0.000 0.529 117 D N 0.627 121.146 120.400 0.199 0.000 2.803 117 D HA -0.198 4.441 4.640 -0.001 0.000 0.233 117 D C -1.030 175.399 176.300 0.215 0.000 1.182 117 D CA 0.199 54.288 54.000 0.149 0.000 0.726 117 D CB -1.979 38.869 40.800 0.080 0.000 0.987 117 D HN 0.277 nan 8.370 nan 0.000 0.412 118 F N 0.940 120.866 119.950 -0.041 0.000 2.607 118 F HA 0.171 4.697 4.527 -0.002 0.000 0.374 118 F C 1.550 177.333 175.800 -0.028 0.000 1.104 118 F CA 0.341 58.316 58.000 -0.043 0.000 1.296 118 F CB 0.547 39.498 39.000 -0.081 0.000 1.085 118 F HN 0.155 nan 8.300 nan 0.000 0.584 119 Q N 1.786 121.581 119.800 -0.007 0.000 2.385 119 Q HA 0.179 4.518 4.340 -0.001 0.000 0.262 119 Q C 1.190 177.183 176.000 -0.011 0.000 1.050 119 Q CA -0.595 55.203 55.803 -0.007 0.000 0.903 119 Q CB 0.861 29.575 28.738 -0.040 0.000 1.325 119 Q HN 0.704 nan 8.270 nan 0.000 0.485 120 E N 0.561 120.764 120.200 0.005 0.000 2.150 120 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 120 E C 1.379 177.983 176.600 0.007 0.000 0.985 120 E CA 1.324 57.730 56.400 0.011 0.000 0.814 120 E CB 0.256 29.963 29.700 0.011 0.000 0.752 120 E HN 0.473 nan 8.360 nan 0.000 0.466 121 K N 0.154 120.568 120.400 0.025 0.000 2.148 121 K HA -0.145 4.174 4.320 -0.001 0.000 0.204 121 K C 1.285 177.940 176.600 0.091 0.000 1.050 121 K CA 1.483 57.853 56.287 0.139 0.000 0.942 121 K CB -0.028 32.548 32.500 0.127 0.000 0.724 121 K HN 0.058 nan 8.250 nan 0.000 0.446 122 D N 1.493 121.805 120.400 -0.146 0.000 2.178 122 D HA -0.076 4.563 4.640 -0.001 0.000 0.202 122 D C 2.092 178.289 176.300 -0.173 0.000 0.974 122 D CA 0.839 54.597 54.000 -0.403 0.000 0.841 122 D CB 0.017 40.090 40.800 -1.212 0.000 0.953 122 D HN 0.183 nan 8.370 nan 0.000 0.478 123 I N 0.989 121.558 120.570 -0.001 0.000 2.163 123 I HA -0.176 3.993 4.170 -0.001 0.000 0.240 123 I C 2.617 178.745 176.117 0.018 0.000 1.081 123 I CA 0.724 62.103 61.300 0.131 0.000 1.353 123 I CB -1.105 36.954 38.000 0.098 0.000 1.054 123 I HN -0.094 nan 8.210 nan 0.000 0.407 124 V N 0.346 120.212 119.914 -0.079 0.000 2.358 124 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 124 V C 2.105 177.989 176.094 -0.349 0.000 1.047 124 V CA 1.771 63.914 62.300 -0.261 0.000 1.035 124 V CB -0.682 30.881 31.823 -0.434 0.000 0.658 124 V HN 0.189 nan 8.190 nan 0.000 0.452 125 F N 0.284 120.218 119.950 -0.028 0.000 2.765 125 F HA 0.534 5.060 4.527 -0.002 0.000 0.302 125 F C 1.368 177.160 175.800 -0.013 0.000 1.111 125 F CA 0.500 58.485 58.000 -0.025 0.000 1.359 125 F CB -0.321 38.653 39.000 -0.043 0.000 1.097 125 F HN 0.272 nan 8.300 nan 0.000 0.577 126 G N 0.107 108.982 108.800 0.126 0.000 2.733 126 G HA2 0.084 4.043 3.960 -0.001 0.000 0.686 126 G HA3 0.084 4.043 3.960 -0.001 0.000 0.686 126 G C 0.464 175.428 174.900 0.108 0.000 1.373 126 G CA -0.546 44.632 45.100 0.130 0.000 0.838 126 G HN 0.579 nan 8.290 nan 0.000 0.588 127 G N -0.680 108.233 108.800 0.189 0.000 3.993 127 G HA2 0.468 4.427 3.960 -0.001 0.000 0.294 127 G HA3 0.468 4.427 3.960 -0.001 0.000 0.294 127 G C 0.665 175.701 174.900 0.226 0.000 1.043 127 G CA 1.084 46.291 45.100 0.180 0.000 0.839 127 G HN 0.580 nan 8.290 nan 0.000 0.516 128 D N 0.941 121.436 120.400 0.158 0.000 2.117 128 D HA -0.053 4.587 4.640 -0.001 0.000 0.198 128 D C 2.227 178.566 176.300 0.065 0.000 0.982 128 D CA 0.696 54.762 54.000 0.111 0.000 0.828 128 D CB 0.336 41.183 40.800 0.077 0.000 0.967 128 D HN 0.065 nan 8.370 nan 0.000 0.464 129 K N 0.950 121.378 120.400 0.046 0.000 2.057 129 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 129 K C 1.995 178.603 176.600 0.013 0.000 1.049 129 K CA 0.597 56.894 56.287 0.016 0.000 0.931 129 K CB -0.218 32.280 32.500 -0.002 0.000 0.714 129 K HN 0.146 nan 8.250 nan 0.000 0.440 130 K N 1.081 121.495 120.400 0.023 0.000 2.057 130 K HA -0.046 4.273 4.320 -0.001 0.000 0.206 130 K C 2.166 178.799 176.600 0.055 0.000 1.050 130 K CA 0.648 56.949 56.287 0.023 0.000 0.935 130 K CB -0.078 32.419 32.500 -0.005 0.000 0.715 130 K HN 0.039 nan 8.250 nan 0.000 0.439 131 L N 0.582 121.859 121.223 0.090 0.000 2.046 131 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 131 L C 2.308 179.152 176.870 -0.044 0.000 1.077 131 L CA 1.710 56.554 54.840 0.007 0.000 0.747 131 L CB -0.531 41.495 42.059 -0.055 0.000 0.896 131 L HN 0.309 nan 8.230 nan 0.000 0.432 132 A N 0.056 122.861 122.820 -0.025 0.000 1.898 132 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 132 A C 2.216 179.783 177.584 -0.029 0.000 1.181 132 A CA 1.860 53.876 52.037 -0.035 0.000 0.620 132 A CB -0.433 18.554 19.000 -0.021 0.000 0.819 132 A HN 0.365 nan 8.150 nan 0.000 0.442 133 K N 0.021 120.413 120.400 -0.014 0.000 2.148 133 K HA -0.004 4.315 4.320 -0.001 0.000 0.204 133 K C 1.736 178.333 176.600 -0.005 0.000 1.050 133 K CA 1.321 57.602 56.287 -0.010 0.000 0.942 133 K CB -0.534 31.962 32.500 -0.007 0.000 0.724 133 K HN 0.457 nan 8.250 nan 0.000 0.446 134 L N 0.071 121.292 121.223 -0.004 0.000 2.093 134 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 134 L C 1.953 178.809 176.870 -0.024 0.000 1.085 134 L CA 1.238 56.080 54.840 0.003 0.000 0.755 134 L CB -0.125 41.940 42.059 0.011 0.000 0.904 134 L HN 0.193 nan 8.230 nan 0.000 0.435 135 I N -0.154 120.380 120.570 -0.058 0.000 2.394 135 I HA -0.255 3.914 4.170 -0.001 0.000 0.251 135 I C 1.889 177.975 176.117 -0.051 0.000 1.136 135 I CA 0.931 62.181 61.300 -0.084 0.000 1.425 135 I CB -0.481 37.455 38.000 -0.108 0.000 1.079 135 I HN 0.312 nan 8.210 nan 0.000 0.425 136 D N 0.959 121.341 120.400 -0.031 0.000 2.117 136 D HA -0.153 4.486 4.640 -0.001 0.000 0.198 136 D C 2.075 178.374 176.300 -0.002 0.000 0.982 136 D CA 1.201 55.190 54.000 -0.018 0.000 0.828 136 D CB -0.148 40.643 40.800 -0.014 0.000 0.967 136 D HN 0.437 nan 8.370 nan 0.000 0.464 137 E N 0.406 120.613 120.200 0.012 0.000 2.106 137 E HA -0.089 4.260 4.350 -0.001 0.000 0.192 137 E C 2.317 178.962 176.600 0.075 0.000 0.984 137 E CA 0.459 56.880 56.400 0.035 0.000 0.806 137 E CB 0.137 29.866 29.700 0.049 0.000 0.750 137 E HN 0.082 nan 8.360 nan 0.000 0.458 138 V N 1.477 121.436 119.914 0.076 0.000 2.358 138 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 138 V C 2.348 178.503 176.094 0.102 0.000 1.047 138 V CA 1.982 64.359 62.300 0.129 0.000 1.035 138 V CB -0.349 31.437 31.823 -0.062 0.000 0.658 138 V HN 0.177 nan 8.190 nan 0.000 0.452 139 E N 0.255 120.463 120.200 0.014 0.000 2.150 139 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 139 E C 2.176 178.786 176.600 0.017 0.000 0.985 139 E CA 1.810 58.212 56.400 0.004 0.000 0.814 139 E CB -0.417 29.270 29.700 -0.022 0.000 0.752 139 E HN 0.589 nan 8.360 nan 0.000 0.466 140 T N 0.337 114.895 114.554 0.008 0.000 2.777 140 T HA -0.040 4.309 4.350 -0.001 0.000 0.266 140 T C 1.650 176.316 174.700 -0.056 0.000 1.040 140 T CA 1.216 63.307 62.100 -0.016 0.000 1.141 140 T CB -0.120 68.736 68.868 -0.020 0.000 0.868 140 T HN 0.143 nan 8.240 nan 0.000 0.444 141 L N -0.796 120.369 121.223 -0.096 0.000 2.509 141 L HA 0.261 4.600 4.340 -0.001 0.000 0.222 141 L C -0.090 176.416 176.870 -0.606 0.000 1.123 141 L CA 0.550 55.173 54.840 -0.363 0.000 0.856 141 L CB 0.157 41.931 42.059 -0.475 0.000 0.985 141 L HN 0.186 nan 8.230 nan 0.000 0.456 142 F N -0.485 119.488 119.950 0.038 0.000 2.646 142 F HA 0.296 4.821 4.527 -0.003 0.000 0.336 142 F C -1.688 174.138 175.800 0.043 0.000 1.437 142 F CA -1.516 56.531 58.000 0.078 0.000 1.142 142 F CB 0.538 39.535 39.000 -0.005 0.000 1.530 142 F HN -0.185 nan 8.300 nan 0.000 0.591 143 P HA -0.096 nan 4.420 nan 0.000 0.226 143 P C 1.107 178.477 177.300 0.117 0.000 1.153 143 P CA 1.204 64.361 63.100 0.095 0.000 0.777 143 P CB 0.529 32.262 31.700 0.056 0.000 0.794 144 L N -0.318 121.023 121.223 0.196 0.000 2.611 144 L HA 0.075 4.414 4.340 -0.001 0.000 0.229 144 L C 0.863 177.886 176.870 0.254 0.000 1.137 144 L CA -0.348 54.611 54.840 0.198 0.000 0.901 144 L CB -1.104 41.072 42.059 0.195 0.000 1.098 144 L HN 0.060 nan 8.230 nan 0.000 0.456 145 N N 0.130 118.956 118.700 0.210 0.000 2.492 145 N HA -0.035 4.705 4.740 -0.001 0.000 0.260 145 N C 0.279 175.804 175.510 0.026 0.000 1.215 145 N CA 0.017 53.109 53.050 0.069 0.000 0.923 145 N CB 0.565 38.817 38.487 -0.392 0.000 1.092 145 N HN -0.012 nan 8.380 nan 0.000 0.448 146 K N 0.562 120.981 120.400 0.032 0.000 2.397 146 K HA 0.296 4.615 4.320 -0.001 0.000 0.202 146 K C -0.080 176.496 176.600 -0.040 0.000 1.022 146 K CA -0.299 55.994 56.287 0.009 0.000 1.141 146 K CB 0.444 32.969 32.500 0.042 0.000 0.857 146 K HN 0.783 nan 8.250 nan 0.000 0.514 147 G N 0.868 109.600 108.800 -0.114 0.000 2.340 147 G HA2 0.356 4.315 3.960 -0.001 0.000 0.298 147 G HA3 0.356 4.315 3.960 -0.001 0.000 0.298 147 G C -1.842 172.890 174.900 -0.279 0.000 1.498 147 G CA -0.918 44.094 45.100 -0.147 0.000 0.847 147 G HN 0.027 nan 8.290 nan 0.000 0.594 148 I N 0.773 121.168 120.570 -0.292 0.000 2.656 148 I HA 0.584 4.753 4.170 -0.001 0.000 0.292 148 I C 0.002 175.879 176.117 -0.399 0.000 1.144 148 I CA -0.967 60.092 61.300 -0.402 0.000 1.038 148 I CB 2.595 40.374 38.000 -0.369 0.000 1.244 148 I HN 0.717 nan 8.210 nan 0.000 0.420 149 S N 4.625 120.061 115.700 -0.440 0.000 2.513 149 S HA 0.766 5.235 4.470 -0.001 0.000 0.299 149 S C -0.907 173.455 174.600 -0.396 0.000 1.087 149 S CA -0.677 57.233 58.200 -0.483 0.000 1.012 149 S CB 2.050 64.952 63.200 -0.496 0.000 1.044 149 S HN 0.289 nan 8.310 nan 0.000 0.485 150 V N 3.749 123.402 119.914 -0.434 0.000 2.328 150 V HA 0.406 4.525 4.120 -0.001 0.000 0.278 150 V C -0.518 175.411 176.094 -0.276 0.000 1.021 150 V CA -0.540 61.559 62.300 -0.335 0.000 0.838 150 V CB 1.132 32.724 31.823 -0.384 0.000 0.999 150 V HN 0.876 nan 8.190 nan 0.000 0.447 151 Q N 3.003 122.718 119.800 -0.141 0.000 2.430 151 Q HA 0.385 4.724 4.340 -0.001 0.000 0.245 151 Q C 0.032 176.068 176.000 0.060 0.000 1.021 151 Q CA -0.146 55.621 55.803 -0.060 0.000 0.867 151 Q CB 1.560 30.304 28.738 0.011 0.000 1.210 151 Q HN 0.705 nan 8.270 nan 0.000 0.487 152 S N 2.301 117.998 115.700 -0.004 0.000 2.562 152 S HA 0.121 4.590 4.470 -0.001 0.000 0.281 152 S C 0.329 174.893 174.600 -0.059 0.000 1.333 152 S CA -0.145 58.038 58.200 -0.028 0.000 1.052 152 S CB 0.945 64.098 63.200 -0.078 0.000 0.884 152 S HN 0.396 nan 8.310 nan 0.000 0.506 153 E N 0.427 120.511 120.200 -0.194 0.000 2.259 153 E HA 0.278 4.627 4.350 -0.001 0.000 0.257 153 E C 0.818 177.276 176.600 -0.238 0.000 0.998 153 E CA -0.923 55.305 56.400 -0.287 0.000 0.866 153 E CB 0.606 30.067 29.700 -0.399 0.000 1.220 153 E HN 0.606 nan 8.360 nan 0.000 0.415 154 C N 1.215 120.403 119.300 -0.186 0.000 2.326 154 C HA -0.188 4.271 4.460 -0.001 0.000 0.269 154 C C -0.475 174.559 174.990 0.074 0.000 1.140 154 C CA 1.270 60.272 59.018 -0.027 0.000 1.798 154 C CB -1.707 26.088 27.740 0.092 0.000 2.053 154 C HN 0.710 nan 8.230 nan 0.000 0.438 155 P HA -0.024 nan 4.420 nan 0.000 0.223 155 P C 1.435 178.687 177.300 -0.081 0.000 1.151 155 P CA 1.040 64.112 63.100 -0.047 0.000 0.787 155 P CB -0.244 31.385 31.700 -0.119 0.000 0.788 156 I N -0.302 120.153 120.570 -0.192 0.000 2.286 156 I HA -0.104 4.066 4.170 -0.001 0.000 0.248 156 I C 2.379 178.482 176.117 -0.024 0.000 1.115 156 I CA 1.871 63.075 61.300 -0.160 0.000 1.392 156 I CB -2.114 35.764 38.000 -0.203 0.000 1.065 156 I HN 0.023 nan 8.210 nan 0.000 0.418 157 G N 0.839 109.646 108.800 0.011 0.000 2.408 157 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.217 157 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.217 157 G C 1.859 176.897 174.900 0.230 0.000 1.150 157 G CA 0.283 45.448 45.100 0.108 0.000 0.776 157 G HN 0.297 nan 8.290 nan 0.000 0.542 158 L N 0.724 122.093 121.223 0.244 0.000 2.023 158 L HA 0.037 4.376 4.340 -0.001 0.000 0.205 158 L C 2.834 179.731 176.870 0.046 0.000 1.073 158 L CA 1.205 56.110 54.840 0.108 0.000 0.745 158 L CB -0.441 41.640 42.059 0.035 0.000 0.900 158 L HN 0.389 nan 8.230 nan 0.000 0.435 159 I N -2.548 118.047 120.570 0.041 0.000 2.830 159 I HA 0.132 4.301 4.170 -0.001 0.000 0.263 159 I C 1.295 177.435 176.117 0.038 0.000 1.230 159 I CA 0.845 62.165 61.300 0.032 0.000 1.480 159 I CB -0.583 37.444 38.000 0.045 0.000 1.095 159 I HN 0.346 nan 8.210 nan 0.000 0.455 160 G N 1.622 110.449 108.800 0.046 0.000 2.171 160 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.238 160 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.238 160 G C -0.447 174.483 174.900 0.050 0.000 1.039 160 G CA 0.119 45.246 45.100 0.044 0.000 0.759 160 G HN 0.491 nan 8.290 nan 0.000 0.501 161 D N 0.332 120.769 120.400 0.062 0.000 2.414 161 D HA 0.344 4.983 4.640 -0.001 0.000 0.242 161 D C 0.319 176.657 176.300 0.063 0.000 1.129 161 D CA 0.001 54.051 54.000 0.083 0.000 0.885 161 D CB 0.858 41.737 40.800 0.133 0.000 1.198 161 D HN 0.104 nan 8.370 nan 0.000 0.437 162 D N 1.982 122.416 120.400 0.056 0.000 2.631 162 D HA 0.061 4.701 4.640 -0.001 0.000 0.227 162 D C 1.429 177.741 176.300 0.020 0.000 1.146 162 D CA -0.301 53.721 54.000 0.038 0.000 1.009 162 D CB -0.276 40.547 40.800 0.037 0.000 1.057 162 D HN 0.424 nan 8.370 nan 0.000 0.509 163 I N -1.203 119.367 120.570 -0.000 0.000 2.493 163 I HA -0.119 4.050 4.170 -0.001 0.000 0.254 163 I C 1.333 177.386 176.117 -0.106 0.000 1.160 163 I CA 0.711 61.972 61.300 -0.065 0.000 1.445 163 I CB 0.052 37.991 38.000 -0.101 0.000 1.086 163 I HN -0.078 nan 8.210 nan 0.000 0.433 164 E N 1.437 121.608 120.200 -0.049 0.000 2.072 164 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 164 E C 2.418 179.056 176.600 0.064 0.000 0.985 164 E CA 1.629 58.035 56.400 0.010 0.000 0.801 164 E CB -0.286 29.511 29.700 0.161 0.000 0.750 164 E HN 0.529 nan 8.360 nan 0.000 0.452 165 S N -0.312 115.417 115.700 0.050 0.000 2.356 165 S HA -0.129 4.341 4.470 -0.001 0.000 0.223 165 S C 2.037 176.648 174.600 0.018 0.000 1.032 165 S CA 1.133 59.362 58.200 0.048 0.000 1.005 165 S CB -0.257 62.966 63.200 0.038 0.000 0.867 165 S HN 0.107 nan 8.310 nan 0.000 0.449 166 V N 1.418 121.323 119.914 -0.015 0.000 2.407 166 V HA -0.102 4.017 4.120 -0.001 0.000 0.248 166 V C 2.667 178.721 176.094 -0.066 0.000 1.055 166 V CA 2.055 64.332 62.300 -0.038 0.000 1.049 166 V CB -0.903 30.887 31.823 -0.056 0.000 0.662 166 V HN 0.477 nan 8.190 nan 0.000 0.455 167 S N -0.641 114.996 115.700 -0.104 0.000 2.355 167 S HA -0.168 4.302 4.470 -0.001 0.000 0.222 167 S C 2.009 176.594 174.600 -0.025 0.000 1.031 167 S CA 1.331 59.439 58.200 -0.153 0.000 0.993 167 S CB -0.191 62.792 63.200 -0.362 0.000 0.859 167 S HN 0.579 nan 8.310 nan 0.000 0.453 168 K N 0.635 121.083 120.400 0.079 0.000 2.057 168 K HA -0.019 4.300 4.320 -0.001 0.000 0.206 168 K C 2.084 178.722 176.600 0.064 0.000 1.050 168 K CA 1.116 57.488 56.287 0.141 0.000 0.935 168 K CB -0.395 32.206 32.500 0.168 0.000 0.715 168 K HN 0.167 nan 8.250 nan 0.000 0.439 169 V N 2.051 121.985 119.914 0.034 0.000 2.307 169 V HA -0.227 3.892 4.120 -0.001 0.000 0.245 169 V C 2.205 178.301 176.094 0.002 0.000 1.045 169 V CA 1.623 63.932 62.300 0.016 0.000 1.024 169 V CB -0.310 31.518 31.823 0.008 0.000 0.651 169 V HN 0.229 nan 8.190 nan 0.000 0.449 170 K N 0.577 120.968 120.400 -0.016 0.000 2.057 170 K HA -0.046 4.273 4.320 -0.001 0.000 0.206 170 K C 2.273 178.858 176.600 -0.025 0.000 1.050 170 K CA 1.460 57.730 56.287 -0.030 0.000 0.935 170 K CB -1.139 31.328 32.500 -0.056 0.000 0.715 170 K HN 0.516 nan 8.250 nan 0.000 0.439 171 G N 1.336 110.125 108.800 -0.019 0.000 2.440 171 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.218 171 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.218 171 G C 1.711 176.618 174.900 0.011 0.000 1.154 171 G CA 1.355 46.452 45.100 -0.005 0.000 0.767 171 G HN 0.386 nan 8.290 nan 0.000 0.552 172 A N 0.537 123.370 122.820 0.021 0.000 1.898 172 A HA 0.008 4.327 4.320 -0.001 0.000 0.216 172 A C 2.162 179.751 177.584 0.009 0.000 1.181 172 A CA 1.920 53.969 52.037 0.020 0.000 0.620 172 A CB -0.441 18.573 19.000 0.024 0.000 0.819 172 A HN 0.471 nan 8.150 nan 0.000 0.442 173 E N -0.343 119.859 120.200 0.003 0.000 2.204 173 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 173 E C 1.301 177.898 176.600 -0.005 0.000 0.989 173 E CA 0.931 57.330 56.400 -0.002 0.000 0.824 173 E CB -0.081 29.616 29.700 -0.006 0.000 0.756 173 E HN 0.635 nan 8.360 nan 0.000 0.477 174 L N -0.268 120.950 121.223 -0.009 0.000 2.693 174 L HA 0.201 4.540 4.340 -0.001 0.000 0.235 174 L C 0.503 177.369 176.870 -0.007 0.000 1.127 174 L CA -0.203 54.630 54.840 -0.012 0.000 0.914 174 L CB 0.566 42.609 42.059 -0.026 0.000 1.193 174 L HN -0.111 nan 8.230 nan 0.000 0.502 175 S N 0.963 116.664 115.700 0.001 0.000 3.614 175 S HA -0.221 4.248 4.470 -0.001 0.000 0.360 175 S C 0.167 174.769 174.600 0.003 0.000 1.023 175 S CA 0.959 59.163 58.200 0.007 0.000 1.114 175 S CB -1.087 62.118 63.200 0.009 0.000 0.907 175 S HN 0.546 nan 8.310 nan 0.000 0.470 176 K N 0.733 121.130 120.400 -0.005 0.000 2.443 176 K HA 0.420 4.740 4.320 -0.001 0.000 0.252 176 K C -0.384 176.208 176.600 -0.014 0.000 0.933 176 K CA -0.508 55.768 56.287 -0.017 0.000 0.792 176 K CB 1.281 33.754 32.500 -0.044 0.000 1.185 176 K HN 0.056 nan 8.250 nan 0.000 0.425 177 T N 4.666 119.219 114.554 -0.003 0.000 2.817 177 T HA 0.225 4.574 4.350 -0.001 0.000 0.295 177 T C -0.042 174.624 174.700 -0.057 0.000 0.958 177 T CA 0.253 62.365 62.100 0.020 0.000 1.157 177 T CB -0.187 68.711 68.868 0.050 0.000 0.898 177 T HN 0.366 nan 8.240 nan 0.000 0.536 178 I N 3.738 124.256 120.570 -0.087 0.000 2.418 178 I HA 0.334 4.503 4.170 -0.001 0.000 0.287 178 I C -0.502 175.366 176.117 -0.415 0.000 1.008 178 I CA -1.039 60.120 61.300 -0.235 0.000 1.104 178 I CB 1.990 39.853 38.000 -0.228 0.000 1.264 178 I HN 0.266 nan 8.210 nan 0.000 0.438 179 V N 7.822 127.420 119.914 -0.527 0.000 2.311 179 V HA 0.316 4.435 4.120 -0.001 0.000 0.275 179 V C -2.166 173.409 176.094 -0.864 0.000 1.022 179 V CA -1.772 60.041 62.300 -0.812 0.000 0.830 179 V CB 0.954 32.334 31.823 -0.738 0.000 1.012 179 V HN 0.545 nan 8.190 nan 0.000 0.452 180 P HA 0.269 nan 4.420 nan 0.000 0.282 180 P C -0.779 176.192 177.300 -0.547 0.000 1.262 180 P CA -0.043 62.654 63.100 -0.672 0.000 0.773 180 P CB 1.657 32.994 31.700 -0.605 0.000 0.879 181 V N 5.714 125.370 119.914 -0.430 0.000 2.409 181 V HA 0.338 4.457 4.120 -0.001 0.000 0.291 181 V C 0.791 176.766 176.094 -0.199 0.000 1.020 181 V CA -0.720 61.385 62.300 -0.325 0.000 0.848 181 V CB 1.720 33.301 31.823 -0.404 0.000 0.990 181 V HN 0.371 nan 8.190 nan 0.000 0.430 182 R N 2.928 123.342 120.500 -0.143 0.000 3.657 182 R HA 0.193 4.532 4.340 -0.001 0.000 0.220 182 R C 0.434 176.651 176.300 -0.138 0.000 1.548 182 R CA -0.232 55.794 56.100 -0.123 0.000 1.465 182 R CB -0.170 30.075 30.300 -0.092 0.000 1.330 182 R HN 0.926 nan 8.270 nan 0.000 0.707 183 C N -1.047 118.176 119.300 -0.127 0.000 2.306 183 C HA 0.349 4.808 4.460 -0.001 0.000 0.341 183 C C 0.066 174.973 174.990 -0.138 0.000 1.381 183 C CA -1.230 57.720 59.018 -0.114 0.000 1.784 183 C CB -1.443 26.254 27.740 -0.071 0.000 2.555 183 C HN 0.390 nan 8.230 nan 0.000 0.565 184 E N 1.131 121.162 120.200 -0.281 0.000 2.608 184 E HA 0.288 4.637 4.350 -0.001 0.000 0.259 184 E C 1.555 177.882 176.600 -0.455 0.000 0.951 184 E CA 1.019 57.130 56.400 -0.480 0.000 0.945 184 E CB 0.403 29.508 29.700 -0.992 0.000 0.916 184 E HN 0.615 nan 8.360 nan 0.000 0.477 185 G N 2.497 111.123 108.800 -0.290 0.000 2.462 185 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.220 185 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.220 185 G C 1.039 175.880 174.900 -0.098 0.000 1.121 185 G CA 0.862 45.886 45.100 -0.127 0.000 0.758 185 G HN 0.645 nan 8.290 nan 0.000 0.559 186 F N 0.533 120.474 119.950 -0.014 0.000 2.661 186 F HA 0.410 4.937 4.527 -0.001 0.000 0.298 186 F C 1.231 177.024 175.800 -0.010 0.000 1.137 186 F CA -1.020 56.972 58.000 -0.012 0.000 1.454 186 F CB -0.265 38.723 39.000 -0.020 0.000 1.103 186 F HN -0.150 nan 8.300 nan 0.000 0.577 187 R N 1.551 121.938 120.500 -0.188 0.000 2.543 187 R HA 0.426 4.765 4.340 -0.001 0.000 0.277 187 R C 0.958 177.246 176.300 -0.019 0.000 1.074 187 R CA 0.472 56.533 56.100 -0.066 0.000 1.076 187 R CB 0.086 30.279 30.300 -0.178 0.000 0.993 187 R HN 0.535 nan 8.270 nan 0.000 0.459 188 G N 0.234 109.045 108.800 0.017 0.000 2.645 188 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.239 188 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.239 188 G C 0.275 175.200 174.900 0.041 0.000 1.331 188 G CA -0.179 44.931 45.100 0.018 0.000 0.890 188 G HN 0.776 nan 8.290 nan 0.000 0.572 189 V N -3.336 116.605 119.914 0.045 0.000 3.330 189 V HA 0.727 4.846 4.120 -0.001 0.000 0.309 189 V C 0.649 176.789 176.094 0.077 0.000 1.481 189 V CA 1.638 63.978 62.300 0.066 0.000 1.068 189 V CB -0.415 31.454 31.823 0.078 0.000 0.935 189 V HN 2.658 nan 8.190 nan 0.000 0.453 190 S N -0.818 114.904 115.700 0.038 0.000 2.682 190 S HA 0.252 4.721 4.470 -0.001 0.000 0.280 190 S C 0.212 174.726 174.600 -0.143 0.000 1.207 190 S CA 0.074 58.286 58.200 0.019 0.000 0.987 190 S CB 1.204 64.484 63.200 0.132 0.000 1.263 190 S HN 0.058 nan 8.310 nan 0.000 0.494 191 Q N 1.104 120.722 119.800 -0.305 0.000 2.224 191 Q HA 0.063 4.402 4.340 -0.001 0.000 0.203 191 Q C 2.209 177.682 176.000 -0.878 0.000 0.970 191 Q CA 1.626 57.090 55.803 -0.564 0.000 0.865 191 Q CB -0.458 27.869 28.738 -0.685 0.000 0.922 191 Q HN 0.651 nan 8.270 nan 0.000 0.445 192 S N 0.314 115.500 115.700 -0.856 0.000 2.372 192 S HA -0.203 4.266 4.470 -0.001 0.000 0.227 192 S C 1.728 176.160 174.600 -0.279 0.000 1.044 192 S CA 1.336 59.180 58.200 -0.593 0.000 1.050 192 S CB -0.279 62.916 63.200 -0.009 0.000 0.901 192 S HN 0.421 nan 8.310 nan 0.000 0.447 193 L N 1.662 122.802 121.223 -0.138 0.000 2.201 193 L HA 0.178 4.517 4.340 -0.001 0.000 0.212 193 L C 2.274 179.070 176.870 -0.123 0.000 1.105 193 L CA 1.963 56.768 54.840 -0.058 0.000 0.775 193 L CB -1.272 40.765 42.059 -0.037 0.000 0.913 193 L HN 0.393 nan 8.230 nan 0.000 0.440 194 G N -1.880 106.795 108.800 -0.208 0.000 2.448 194 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.219 194 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.219 194 G C 1.326 176.185 174.900 -0.068 0.000 1.127 194 G CA 0.987 45.993 45.100 -0.156 0.000 0.766 194 G HN 0.615 nan 8.290 nan 0.000 0.552 195 H N -1.552 117.452 119.070 -0.110 0.000 2.357 195 H HA -0.040 4.515 4.556 -0.001 0.000 0.301 195 H C 2.262 177.500 175.328 -0.149 0.000 1.082 195 H CA 1.126 57.124 56.048 -0.083 0.000 1.342 195 H CB -0.088 29.671 29.762 -0.005 0.000 1.389 195 H HN 0.518 nan 8.280 nan 0.000 0.511 196 H N 0.431 119.288 119.070 -0.355 0.000 2.321 196 H HA -0.104 4.451 4.556 -0.002 0.000 0.300 196 H C 2.132 177.264 175.328 -0.326 0.000 1.087 196 H CA 1.215 56.803 56.048 -0.766 0.000 1.319 196 H CB 0.146 29.437 29.762 -0.785 0.000 1.379 196 H HN 0.224 nan 8.280 nan 0.000 0.501 197 I N 0.535 121.052 120.570 -0.087 0.000 2.394 197 I HA -0.217 3.952 4.170 -0.001 0.000 0.251 197 I C 2.779 178.937 176.117 0.069 0.000 1.136 197 I CA 0.801 62.061 61.300 -0.068 0.000 1.425 197 I CB -0.223 37.728 38.000 -0.082 0.000 1.079 197 I HN 0.353 nan 8.210 nan 0.000 0.425 198 A N 0.742 123.647 122.820 0.142 0.000 1.898 198 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 198 A C 2.110 179.879 177.584 0.307 0.000 1.181 198 A CA 1.744 54.005 52.037 0.372 0.000 0.620 198 A CB -0.793 18.376 19.000 0.281 0.000 0.819 198 A HN 0.463 nan 8.150 nan 0.000 0.442 199 N N -0.275 118.519 118.700 0.156 0.000 2.142 199 N HA -0.141 4.598 4.740 -0.001 0.000 0.186 199 N C 0.903 176.515 175.510 0.171 0.000 1.023 199 N CA 1.347 54.493 53.050 0.160 0.000 0.852 199 N CB -0.203 38.374 38.487 0.150 0.000 0.998 199 N HN 0.381 nan 8.380 nan 0.000 0.424 200 D N 1.021 121.504 120.400 0.138 0.000 2.144 200 D HA -0.049 4.590 4.640 -0.001 0.000 0.200 200 D C 1.841 178.247 176.300 0.176 0.000 0.978 200 D CA 0.586 54.647 54.000 0.101 0.000 0.833 200 D CB -0.225 40.594 40.800 0.032 0.000 0.961 200 D HN 0.214 nan 8.370 nan 0.000 0.470 201 A N 0.329 123.308 122.820 0.265 0.000 1.930 201 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 201 A C 2.427 180.312 177.584 0.503 0.000 1.175 201 A CA 0.950 53.215 52.037 0.380 0.000 0.627 201 A CB -0.533 18.609 19.000 0.237 0.000 0.815 201 A HN 0.142 nan 8.150 nan 0.000 0.443 202 V N 0.476 120.680 119.914 0.484 0.000 2.307 202 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 202 V C 2.684 178.936 176.094 0.264 0.000 1.045 202 V CA 2.115 64.637 62.300 0.369 0.000 1.024 202 V CB -0.856 31.041 31.823 0.122 0.000 0.651 202 V HN 0.669 nan 8.190 nan 0.000 0.449 203 R N 0.385 120.995 120.500 0.184 0.000 2.073 203 R HA -0.197 4.142 4.340 -0.001 0.000 0.234 203 R C 1.940 178.269 176.300 0.049 0.000 1.134 203 R CA 2.285 58.420 56.100 0.058 0.000 0.952 203 R CB -0.543 29.630 30.300 -0.212 0.000 0.850 203 R HN 0.498 nan 8.270 nan 0.000 0.433 204 D N -0.750 119.689 120.400 0.065 0.000 2.117 204 D HA -0.154 4.486 4.640 -0.001 0.000 0.198 204 D C 1.406 177.590 176.300 -0.194 0.000 0.982 204 D CA 1.268 55.218 54.000 -0.085 0.000 0.828 204 D CB -0.261 40.478 40.800 -0.101 0.000 0.967 204 D HN 0.395 nan 8.370 nan 0.000 0.464 205 W N -0.462 120.871 121.300 0.055 0.000 3.058 205 W HA 0.258 4.918 4.660 -0.002 0.000 0.306 205 W C 1.570 178.129 176.519 0.066 0.000 1.188 205 W CA -0.106 57.265 57.345 0.044 0.000 1.651 205 W CB 0.346 29.809 29.460 0.006 0.000 1.051 205 W HN -0.226 nan 8.180 nan 0.000 0.592 206 V N -0.859 119.222 119.914 0.277 0.000 3.159 206 V HA -0.001 4.118 4.120 -0.001 0.000 0.234 206 V C 1.673 177.849 176.094 0.137 0.000 1.313 206 V CA 0.131 62.544 62.300 0.189 0.000 1.271 206 V CB -0.490 31.443 31.823 0.183 0.000 1.053 206 V HN -0.105 nan 8.190 nan 0.000 0.476 207 L N 2.137 123.462 121.223 0.170 0.000 2.189 207 L HA -0.058 4.281 4.340 -0.001 0.000 0.214 207 L C 1.910 178.910 176.870 0.217 0.000 1.097 207 L CA 2.456 57.424 54.840 0.214 0.000 0.764 207 L CB -0.768 41.494 42.059 0.338 0.000 0.900 207 L HN 0.358 nan 8.230 nan 0.000 0.436 208 G N -2.143 106.774 108.800 0.195 0.000 3.189 208 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.225 208 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.225 208 G C 1.405 176.374 174.900 0.116 0.000 1.159 208 G CA -0.132 45.080 45.100 0.187 0.000 0.763 208 G HN 0.330 nan 8.290 nan 0.000 0.549 209 K N 0.302 120.756 120.400 0.090 0.000 2.218 209 K HA -0.060 4.260 4.320 -0.001 0.000 0.205 209 K C 1.525 178.158 176.600 0.055 0.000 1.046 209 K CA 0.765 57.090 56.287 0.065 0.000 0.933 209 K CB 0.007 32.541 32.500 0.057 0.000 0.728 209 K HN 0.184 nan 8.250 nan 0.000 0.454 210 R N 0.311 120.843 120.500 0.053 0.000 2.652 210 R HA 0.087 4.426 4.340 -0.001 0.000 0.372 210 R C 0.090 176.425 176.300 0.059 0.000 1.104 210 R CA -0.229 55.896 56.100 0.042 0.000 1.072 210 R CB 0.525 30.832 30.300 0.012 0.000 1.367 210 R HN 0.095 nan 8.270 nan 0.000 0.577 211 D N 1.742 122.200 120.400 0.098 0.000 2.117 211 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 211 D C 1.509 177.872 176.300 0.104 0.000 0.987 211 D CA 1.344 55.430 54.000 0.145 0.000 0.829 211 D CB 0.425 41.331 40.800 0.177 0.000 0.961 211 D HN 0.211 nan 8.370 nan 0.000 0.460 212 E N 0.694 120.940 120.200 0.078 0.000 2.158 212 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 212 E C 0.584 177.219 176.600 0.058 0.000 0.982 212 E CA 0.252 56.689 56.400 0.062 0.000 0.823 212 E CB -0.221 29.509 29.700 0.050 0.000 0.766 212 E HN 0.252 nan 8.360 nan 0.000 0.468 213 D N 1.143 121.578 120.400 0.058 0.000 2.390 213 D HA -0.010 4.629 4.640 -0.001 0.000 0.249 213 D C 0.305 176.648 176.300 0.072 0.000 1.144 213 D CA 0.397 54.432 54.000 0.060 0.000 0.880 213 D CB 0.858 41.692 40.800 0.057 0.000 1.182 213 D HN -0.024 nan 8.370 nan 0.000 0.451 214 T N -0.804 113.794 114.554 0.073 0.000 3.252 214 T HA 0.055 4.404 4.350 -0.001 0.000 0.286 214 T C 1.483 176.237 174.700 0.089 0.000 1.013 214 T CA 0.175 62.326 62.100 0.084 0.000 0.914 214 T CB -0.137 68.769 68.868 0.063 0.000 1.131 214 T HN 0.378 nan 8.240 nan 0.000 0.529 215 T N -0.090 114.524 114.554 0.099 0.000 2.777 215 T HA 0.056 4.406 4.350 -0.001 0.000 0.266 215 T C 0.607 175.378 174.700 0.118 0.000 1.040 215 T CA -0.001 62.154 62.100 0.091 0.000 1.141 215 T CB -0.864 68.058 68.868 0.089 0.000 0.868 215 T HN 0.409 nan 8.240 nan 0.000 0.444 216 F N 3.522 123.483 119.950 0.018 0.000 2.608 216 F HA 0.435 4.960 4.527 -0.002 0.000 0.380 216 F C 0.522 176.331 175.800 0.016 0.000 1.083 216 F CA -1.394 56.616 58.000 0.018 0.000 1.266 216 F CB -0.009 39.002 39.000 0.018 0.000 1.076 216 F HN 0.345 nan 8.300 nan 0.000 0.574 217 A N 5.689 128.080 122.820 -0.714 0.000 2.347 217 A HA 0.494 4.813 4.320 -0.001 0.000 0.287 217 A C -0.255 176.829 177.584 -0.834 0.000 1.199 217 A CA -0.047 51.657 52.037 -0.554 0.000 0.851 217 A CB -0.409 18.368 19.000 -0.372 0.000 1.118 217 A HN 0.866 nan 8.150 nan 0.000 0.525 218 S N 2.012 117.517 115.700 -0.326 0.000 2.565 218 S HA 0.806 5.275 4.470 -0.001 0.000 0.290 218 S C 0.073 174.634 174.600 -0.066 0.000 1.150 218 S CA 0.039 58.189 58.200 -0.084 0.000 1.058 218 S CB 1.463 64.748 63.200 0.143 0.000 1.032 218 S HN 1.317 nan 8.310 nan 0.000 0.510 219 T N -2.137 112.406 114.554 -0.019 0.000 2.887 219 T HA 0.613 4.962 4.350 -0.001 0.000 0.292 219 T C -2.507 172.142 174.700 -0.085 0.000 1.087 219 T CA -2.015 60.045 62.100 -0.067 0.000 1.009 219 T CB 1.544 70.381 68.868 -0.051 0.000 1.203 219 T HN 0.344 nan 8.240 nan 0.000 0.518 220 P HA 0.006 nan 4.420 nan 0.000 0.230 220 P C 0.224 177.448 177.300 -0.125 0.000 1.158 220 P CA 0.726 63.665 63.100 -0.267 0.000 0.769 220 P CB -0.179 31.264 31.700 -0.429 0.000 0.807 221 Y N -0.484 119.901 120.300 0.143 0.000 2.458 221 Y HA 0.203 4.752 4.550 -0.001 0.000 0.256 221 Y C 0.641 176.564 175.900 0.038 0.000 1.159 221 Y CA -1.367 56.743 58.100 0.016 0.000 1.261 221 Y CB -0.842 37.555 38.460 -0.105 0.000 1.119 221 Y HN -0.115 nan 8.280 nan 0.000 0.524 222 D N 1.495 122.023 120.400 0.213 0.000 2.425 222 D HA 0.289 4.928 4.640 -0.001 0.000 0.247 222 D C 0.198 176.610 176.300 0.186 0.000 1.147 222 D CA 0.501 54.615 54.000 0.191 0.000 0.879 222 D CB 1.477 42.398 40.800 0.201 0.000 1.179 222 D HN 0.100 nan 8.370 nan 0.000 0.456 223 V N -1.446 118.548 119.914 0.133 0.000 3.147 223 V HA 0.910 5.029 4.120 -0.001 0.000 0.306 223 V C -1.227 174.899 176.094 0.054 0.000 1.209 223 V CA -1.126 61.236 62.300 0.103 0.000 1.023 223 V CB 1.891 33.768 31.823 0.091 0.000 1.059 223 V HN 0.563 nan 8.190 nan 0.000 0.435 224 A N 3.125 125.951 122.820 0.009 0.000 2.355 224 A HA 0.899 5.218 4.320 -0.001 0.000 0.317 224 A C -0.697 176.852 177.584 -0.058 0.000 1.094 224 A CA -0.766 51.256 52.037 -0.025 0.000 0.764 224 A CB 1.263 20.202 19.000 -0.101 0.000 1.230 224 A HN 0.991 nan 8.150 nan 0.000 0.448 225 I N 3.551 124.109 120.570 -0.020 0.000 2.312 225 I HA 0.231 4.400 4.170 -0.001 0.000 0.291 225 I C -0.656 175.425 176.117 -0.061 0.000 1.031 225 I CA -0.216 61.087 61.300 0.004 0.000 1.293 225 I CB 0.695 38.727 38.000 0.052 0.000 1.403 225 I HN 0.382 nan 8.210 nan 0.000 0.484 226 I N 5.443 125.958 120.570 -0.093 0.000 2.378 226 I HA 0.358 4.527 4.170 -0.001 0.000 0.291 226 I C 0.884 176.902 176.117 -0.165 0.000 0.992 226 I CA -0.438 60.721 61.300 -0.235 0.000 1.154 226 I CB 0.938 38.691 38.000 -0.411 0.000 1.315 226 I HN 0.861 nan 8.210 nan 0.000 0.448 227 G N 4.391 113.036 108.800 -0.259 0.000 2.255 227 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.239 227 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.239 227 G C -0.438 174.191 174.900 -0.452 0.000 1.083 227 G CA -0.248 44.640 45.100 -0.352 0.000 0.826 227 G HN 0.674 nan 8.290 nan 0.000 0.493 228 D N -0.944 119.035 120.400 -0.702 0.000 2.757 228 D HA 0.530 5.169 4.640 -0.001 0.000 0.249 228 D C 0.199 176.042 176.300 -0.762 0.000 1.168 228 D CA -0.800 52.880 54.000 -0.534 0.000 0.870 228 D CB 1.031 41.637 40.800 -0.323 0.000 1.411 228 D HN 0.075 nan 8.370 nan 0.000 0.525 229 Y N 2.276 122.465 120.300 -0.186 0.000 2.607 229 Y HA 0.185 4.734 4.550 -0.002 0.000 0.266 229 Y C 1.097 176.858 175.900 -0.233 0.000 1.178 229 Y CA -0.543 57.452 58.100 -0.174 0.000 1.226 229 Y CB -0.160 38.211 38.460 -0.149 0.000 1.144 229 Y HN 0.402 nan 8.280 nan 0.000 0.528 230 N N 0.854 119.398 118.700 -0.261 0.000 2.721 230 N HA -0.187 4.552 4.740 -0.001 0.000 0.249 230 N C -0.861 174.416 175.510 -0.389 0.000 1.072 230 N CA 0.228 53.049 53.050 -0.382 0.000 0.710 230 N CB -0.956 37.236 38.487 -0.492 0.000 0.993 230 N HN 0.135 nan 8.380 nan 0.000 0.547 231 I N 0.489 120.864 120.570 -0.324 0.000 2.664 231 I HA 0.127 4.296 4.170 -0.001 0.000 0.284 231 I C 1.990 177.855 176.117 -0.421 0.000 1.154 231 I CA 1.506 62.576 61.300 -0.384 0.000 1.402 231 I CB -0.626 37.115 38.000 -0.431 0.000 1.395 231 I HN 0.506 nan 8.210 nan 0.000 0.545 232 G N 5.214 113.498 108.800 -0.860 0.000 2.166 232 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.260 232 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.260 232 G C 0.982 175.605 174.900 -0.461 0.000 0.986 232 G CA 0.530 45.126 45.100 -0.841 0.000 0.683 232 G HN 1.726 nan 8.290 nan 0.000 0.527 233 G N -1.143 107.370 108.800 -0.478 0.000 2.130 233 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 233 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 233 G C 0.707 175.536 174.900 -0.118 0.000 0.999 233 G CA 0.968 45.933 45.100 -0.225 0.000 0.686 233 G HN 0.539 nan 8.290 nan 0.000 0.515 234 D N 0.477 120.739 120.400 -0.231 0.000 2.123 234 D HA -0.051 4.588 4.640 -0.001 0.000 0.196 234 D C 2.675 178.854 176.300 -0.202 0.000 0.992 234 D CA 1.720 55.563 54.000 -0.261 0.000 0.833 234 D CB -0.359 39.998 40.800 -0.738 0.000 0.954 234 D HN 0.701 nan 8.370 nan 0.000 0.455 235 A N 0.858 123.517 122.820 -0.268 0.000 1.902 235 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 235 A C 2.076 179.728 177.584 0.113 0.000 1.181 235 A CA 0.984 52.948 52.037 -0.121 0.000 0.623 235 A CB -0.989 17.881 19.000 -0.216 0.000 0.818 235 A HN 0.249 nan 8.150 nan 0.000 0.443 236 W N 0.036 121.361 121.300 0.041 0.000 2.358 236 W HA -0.088 4.575 4.660 0.005 0.000 0.303 236 W C 2.923 179.482 176.519 0.066 0.000 1.208 236 W CA 1.017 58.400 57.345 0.064 0.000 1.274 236 W CB -1.421 28.087 29.460 0.079 0.000 1.138 236 W HN 0.431 nan 8.180 nan 0.000 0.515 237 S N -0.438 115.440 115.700 0.295 0.000 2.402 237 S HA -0.113 4.356 4.470 -0.001 0.000 0.229 237 S C 1.987 176.666 174.600 0.132 0.000 1.021 237 S CA 1.744 60.053 58.200 0.181 0.000 0.974 237 S CB -0.203 63.082 63.200 0.142 0.000 0.800 237 S HN 0.068 nan 8.310 nan 0.000 0.484 238 S N 0.985 116.807 115.700 0.204 0.000 2.377 238 S HA 0.079 4.548 4.470 -0.001 0.000 0.223 238 S C 1.874 176.631 174.600 0.262 0.000 1.030 238 S CA 0.530 58.921 58.200 0.319 0.000 0.970 238 S CB -0.333 63.162 63.200 0.491 0.000 0.830 238 S HN 0.543 nan 8.310 nan 0.000 0.473 239 R N 0.789 121.417 120.500 0.214 0.000 2.105 239 R HA -0.046 4.293 4.340 -0.001 0.000 0.239 239 R C 2.234 178.612 176.300 0.131 0.000 1.135 239 R CA 1.227 57.430 56.100 0.172 0.000 0.967 239 R CB -0.371 30.050 30.300 0.201 0.000 0.861 239 R HN 0.399 nan 8.270 nan 0.000 0.442 240 I N 0.734 121.381 120.570 0.128 0.000 2.315 240 I HA -0.248 3.922 4.170 -0.001 0.000 0.248 240 I C 1.815 177.988 176.117 0.093 0.000 1.117 240 I CA 1.217 62.581 61.300 0.107 0.000 1.404 240 I CB 0.091 38.163 38.000 0.119 0.000 1.071 240 I HN 0.194 nan 8.210 nan 0.000 0.419 241 L N -0.419 120.837 121.223 0.055 0.000 2.056 241 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 241 L C 2.469 179.374 176.870 0.058 0.000 1.078 241 L CA 1.215 56.068 54.840 0.021 0.000 0.749 241 L CB -0.739 41.201 42.059 -0.198 0.000 0.901 241 L HN 0.253 nan 8.230 nan 0.000 0.433 242 L N -0.445 120.828 121.223 0.082 0.000 2.046 242 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 242 L C 2.610 179.477 176.870 -0.004 0.000 1.077 242 L CA 1.370 56.234 54.840 0.040 0.000 0.747 242 L CB -0.531 41.545 42.059 0.027 0.000 0.896 242 L HN 0.302 nan 8.230 nan 0.000 0.432 243 E N 0.020 120.233 120.200 0.021 0.000 2.106 243 E HA -0.206 4.143 4.350 -0.001 0.000 0.192 243 E C 1.996 178.594 176.600 -0.003 0.000 0.984 243 E CA 0.970 57.373 56.400 0.005 0.000 0.806 243 E CB -0.027 29.692 29.700 0.031 0.000 0.750 243 E HN 0.545 nan 8.360 nan 0.000 0.458 244 E N 0.395 120.615 120.200 0.034 0.000 2.268 244 E HA -0.107 4.242 4.350 -0.001 0.000 0.195 244 E C 1.808 178.414 176.600 0.010 0.000 0.995 244 E CA 0.430 56.855 56.400 0.042 0.000 0.836 244 E CB -0.017 29.751 29.700 0.112 0.000 0.763 244 E HN 0.181 nan 8.360 nan 0.000 0.491 245 M N -0.709 118.887 119.600 -0.008 0.000 2.618 245 M HA 0.049 4.528 4.480 -0.001 0.000 0.240 245 M C 0.909 177.126 176.300 -0.139 0.000 1.123 245 M CA 1.028 56.302 55.300 -0.044 0.000 1.060 245 M CB 0.474 33.056 32.600 -0.029 0.000 1.535 245 M HN 0.231 nan 8.290 nan 0.000 0.507 246 G N 0.865 109.574 108.800 -0.151 0.000 2.176 246 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.232 246 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.232 246 G C -0.012 174.688 174.900 -0.333 0.000 0.986 246 G CA -0.007 44.941 45.100 -0.255 0.000 0.643 246 G HN 0.426 nan 8.290 nan 0.000 0.522 247 L N 0.085 121.156 121.223 -0.252 0.000 2.439 247 L HA 0.623 4.962 4.340 -0.001 0.000 0.261 247 L C 1.019 177.855 176.870 -0.058 0.000 1.153 247 L CA -0.821 53.893 54.840 -0.210 0.000 0.808 247 L CB 1.126 43.042 42.059 -0.239 0.000 1.126 247 L HN 0.225 nan 8.230 nan 0.000 0.460 248 R N 0.797 121.313 120.500 0.025 0.000 2.393 248 R HA 0.397 4.736 4.340 -0.001 0.000 0.315 248 R C -1.530 174.820 176.300 0.084 0.000 0.952 248 R CA -0.536 55.607 56.100 0.071 0.000 0.842 248 R CB 1.161 31.532 30.300 0.117 0.000 1.163 248 R HN 0.621 nan 8.270 nan 0.000 0.450 249 C N 5.290 124.638 119.300 0.080 0.000 2.176 249 C HA 0.187 4.646 4.460 -0.001 0.000 0.329 249 C C 1.753 176.810 174.990 0.111 0.000 1.113 249 C CA -0.752 58.318 59.018 0.086 0.000 1.562 249 C CB 0.155 27.942 27.740 0.078 0.000 2.040 249 C HN 0.788 nan 8.230 nan 0.000 0.460 250 V N 2.526 122.513 119.914 0.122 0.000 2.427 250 V HA -0.007 4.112 4.120 -0.001 0.000 0.248 250 V C 1.317 177.469 176.094 0.098 0.000 1.051 250 V CA 1.928 64.299 62.300 0.120 0.000 1.048 250 V CB -0.426 31.459 31.823 0.103 0.000 0.666 250 V HN 0.940 nan 8.190 nan 0.000 0.456 251 A N -0.826 122.067 122.820 0.121 0.000 2.498 251 A HA 0.764 5.083 4.320 -0.001 0.000 0.298 251 A C -0.934 176.782 177.584 0.220 0.000 1.075 251 A CA -0.571 51.583 52.037 0.195 0.000 0.714 251 A CB 1.659 20.860 19.000 0.335 0.000 1.299 251 A HN 0.277 nan 8.150 nan 0.000 0.407 252 Q N 0.490 120.445 119.800 0.259 0.000 2.290 252 Q HA 0.389 4.728 4.340 -0.001 0.000 0.269 252 Q C -2.082 174.075 176.000 0.261 0.000 1.016 252 Q CA -0.127 55.794 55.803 0.195 0.000 0.754 252 Q CB 2.087 30.897 28.738 0.120 0.000 1.247 252 Q HN 0.673 nan 8.270 nan 0.000 0.451 253 W N 1.637 122.834 121.300 -0.171 0.000 2.362 253 W HA 0.302 4.961 4.660 -0.002 0.000 0.316 253 W C 0.520 176.763 176.519 -0.460 0.000 1.024 253 W CA -0.752 56.453 57.345 -0.234 0.000 1.270 253 W CB 1.587 30.926 29.460 -0.202 0.000 1.273 253 W HN 0.617 nan 8.180 nan 0.000 0.424 254 S N 0.953 116.502 115.700 -0.252 0.000 2.819 254 S HA 0.317 4.786 4.470 -0.001 0.000 0.249 254 S C 0.609 175.180 174.600 -0.048 0.000 1.030 254 S CA -0.386 57.766 58.200 -0.081 0.000 1.052 254 S CB -0.054 63.095 63.200 -0.084 0.000 1.017 254 S HN 0.453 nan 8.310 nan 0.000 0.576 255 G N 1.253 109.991 108.800 -0.103 0.000 2.365 255 G HA2 0.357 4.316 3.960 -0.001 0.000 0.249 255 G HA3 0.357 4.316 3.960 -0.001 0.000 0.249 255 G C 0.135 175.013 174.900 -0.037 0.000 1.288 255 G CA 0.262 45.318 45.100 -0.073 0.000 0.887 255 G HN 0.367 nan 8.290 nan 0.000 0.524 256 D N 0.111 120.531 120.400 0.035 0.000 2.811 256 D HA -0.127 4.513 4.640 -0.001 0.000 0.231 256 D C 0.942 177.329 176.300 0.144 0.000 1.157 256 D CA 1.560 55.665 54.000 0.175 0.000 0.716 256 D CB -1.088 39.889 40.800 0.295 0.000 1.077 256 D HN 0.781 nan 8.370 nan 0.000 0.428 257 G N -0.386 108.446 108.800 0.054 0.000 2.377 257 G HA2 0.547 4.506 3.960 -0.001 0.000 0.299 257 G HA3 0.547 4.506 3.960 -0.001 0.000 0.299 257 G C -0.017 174.878 174.900 -0.009 0.000 1.150 257 G CA 0.113 45.214 45.100 0.001 0.000 0.847 257 G HN 0.528 nan 8.290 nan 0.000 0.501 258 S N 1.419 117.107 115.700 -0.020 0.000 2.621 258 S HA 0.394 4.863 4.470 -0.001 0.000 0.302 258 S C 1.295 175.852 174.600 -0.072 0.000 1.093 258 S CA -0.816 57.378 58.200 -0.012 0.000 1.017 258 S CB 1.828 65.043 63.200 0.024 0.000 1.077 258 S HN 0.542 nan 8.310 nan 0.000 0.517 259 I N 1.585 122.130 120.570 -0.042 0.000 2.315 259 I HA -0.193 3.977 4.170 -0.001 0.000 0.248 259 I C 2.474 178.551 176.117 -0.066 0.000 1.117 259 I CA 1.868 63.132 61.300 -0.060 0.000 1.404 259 I CB -0.330 37.664 38.000 -0.010 0.000 1.071 259 I HN 0.926 nan 8.210 nan 0.000 0.419 260 S N 0.092 115.771 115.700 -0.034 0.000 2.382 260 S HA -0.237 4.232 4.470 -0.001 0.000 0.228 260 S C 1.763 176.326 174.600 -0.061 0.000 1.027 260 S CA 1.396 59.577 58.200 -0.032 0.000 0.991 260 S CB -0.674 62.525 63.200 -0.003 0.000 0.823 260 S HN 0.572 nan 8.310 nan 0.000 0.469 261 E N 0.960 121.126 120.200 -0.056 0.000 2.077 261 E HA -0.075 4.274 4.350 -0.001 0.000 0.193 261 E C 2.035 178.607 176.600 -0.046 0.000 0.989 261 E CA 1.307 57.683 56.400 -0.041 0.000 0.800 261 E CB -0.270 29.427 29.700 -0.005 0.000 0.746 261 E HN 0.454 nan 8.360 nan 0.000 0.452 262 I N 1.395 121.845 120.570 -0.200 0.000 2.286 262 I HA -0.212 3.957 4.170 -0.001 0.000 0.248 262 I C 2.006 178.088 176.117 -0.058 0.000 1.115 262 I CA 1.439 62.537 61.300 -0.336 0.000 1.392 262 I CB -0.978 36.622 38.000 -0.667 0.000 1.065 262 I HN 0.157 nan 8.210 nan 0.000 0.418 263 E N 0.537 120.693 120.200 -0.074 0.000 2.204 263 E HA -0.109 4.240 4.350 -0.001 0.000 0.194 263 E C 2.063 178.614 176.600 -0.082 0.000 0.989 263 E CA 0.675 57.051 56.400 -0.041 0.000 0.824 263 E CB 0.008 29.687 29.700 -0.035 0.000 0.756 263 E HN 0.443 nan 8.360 nan 0.000 0.477 264 L N 0.340 121.482 121.223 -0.135 0.000 2.592 264 L HA 0.024 4.363 4.340 -0.001 0.000 0.227 264 L C 1.880 178.619 176.870 -0.217 0.000 1.127 264 L CA 0.252 54.915 54.840 -0.295 0.000 0.884 264 L CB 0.176 41.927 42.059 -0.513 0.000 1.065 264 L HN 0.084 nan 8.230 nan 0.000 0.457 265 T N 0.123 114.662 114.554 -0.025 0.000 2.867 265 T HA -0.058 4.291 4.350 -0.001 0.000 0.268 265 T C -0.655 173.974 174.700 -0.117 0.000 1.057 265 T CA 0.860 62.980 62.100 0.034 0.000 1.136 265 T CB -0.740 68.336 68.868 0.347 0.000 0.874 265 T HN 0.194 nan 8.240 nan 0.000 0.466 266 P HA -0.056 nan 4.420 nan 0.000 0.222 266 P C 1.128 178.213 177.300 -0.358 0.000 1.142 266 P CA 0.967 63.706 63.100 -0.601 0.000 0.788 266 P CB 0.006 31.129 31.700 -0.962 0.000 0.767 267 K N -0.870 119.412 120.400 -0.196 0.000 2.404 267 K HA 0.104 4.423 4.320 -0.001 0.000 0.194 267 K C 0.804 177.423 176.600 0.033 0.000 1.023 267 K CA 0.039 56.294 56.287 -0.054 0.000 1.094 267 K CB -0.761 31.743 32.500 0.006 0.000 0.841 267 K HN 0.171 nan 8.250 nan 0.000 0.523 268 V N -0.970 118.945 119.914 0.002 0.000 2.953 268 V HA 0.265 4.384 4.120 -0.001 0.000 0.304 268 V C 1.194 177.324 176.094 0.060 0.000 1.073 268 V CA -0.671 61.664 62.300 0.059 0.000 1.064 268 V CB 1.295 33.144 31.823 0.044 0.000 1.047 268 V HN -0.147 nan 8.190 nan 0.000 0.478 269 K N 1.128 121.588 120.400 0.100 0.000 2.116 269 K HA 0.274 4.593 4.320 -0.001 0.000 0.203 269 K C 0.092 176.728 176.600 0.060 0.000 1.052 269 K CA 0.954 57.288 56.287 0.078 0.000 0.952 269 K CB -0.224 32.348 32.500 0.121 0.000 0.729 269 K HN 0.673 nan 8.250 nan 0.000 0.446 270 L N 0.445 121.735 121.223 0.112 0.000 2.445 270 L HA 0.320 4.659 4.340 -0.001 0.000 0.262 270 L C -1.643 175.273 176.870 0.077 0.000 0.974 270 L CA -0.412 54.482 54.840 0.089 0.000 0.822 270 L CB 2.098 44.223 42.059 0.110 0.000 1.339 270 L HN -0.036 nan 8.230 nan 0.000 0.409 271 N N 4.501 123.244 118.700 0.071 0.000 2.437 271 N HA 0.552 5.291 4.740 -0.001 0.000 0.259 271 N C -1.306 174.257 175.510 0.088 0.000 0.983 271 N CA -0.484 52.584 53.050 0.031 0.000 0.937 271 N CB 1.089 39.572 38.487 -0.007 0.000 1.122 271 N HN 0.480 nan 8.380 nan 0.000 0.499 272 L N 3.244 124.491 121.223 0.039 0.000 2.255 272 L HA 0.380 4.719 4.340 -0.001 0.000 0.289 272 L C -0.536 176.492 176.870 0.263 0.000 1.046 272 L CA -0.821 54.075 54.840 0.093 0.000 0.816 272 L CB 1.060 43.007 42.059 -0.187 0.000 1.197 272 L HN 0.223 nan 8.230 nan 0.000 0.427 273 V N 3.364 123.471 119.914 0.321 0.000 2.348 273 V HA 0.103 4.223 4.120 -0.001 0.000 0.270 273 V C 0.839 176.969 176.094 0.060 0.000 1.037 273 V CA -0.373 62.036 62.300 0.182 0.000 0.872 273 V CB 0.934 32.849 31.823 0.154 0.000 1.002 273 V HN 0.744 nan 8.190 nan 0.000 0.464 274 H N 3.406 122.349 119.070 -0.213 0.000 2.320 274 H HA 0.048 4.603 4.556 -0.001 0.000 0.309 274 H C 1.114 176.251 175.328 -0.318 0.000 1.057 274 H CA 1.197 56.902 56.048 -0.571 0.000 1.374 274 H CB 0.666 30.081 29.762 -0.577 0.000 1.421 274 H HN 0.612 nan 8.280 nan 0.000 0.532 275 C N 2.507 121.779 119.300 -0.047 0.000 2.227 275 C HA 0.102 4.561 4.460 -0.001 0.000 0.333 275 C C 1.619 176.572 174.990 -0.061 0.000 1.145 275 C CA -0.705 58.289 59.018 -0.040 0.000 1.643 275 C CB -2.110 25.691 27.740 0.102 0.000 2.185 275 C HN 0.599 nan 8.230 nan 0.000 0.497 276 Y N 4.622 124.817 120.300 -0.176 0.000 2.200 276 Y HA -0.075 4.474 4.550 -0.002 0.000 0.290 276 Y C 2.420 178.177 175.900 -0.237 0.000 1.137 276 Y CA 2.202 60.194 58.100 -0.181 0.000 1.163 276 Y CB -0.235 38.154 38.460 -0.118 0.000 0.988 276 Y HN 0.734 nan 8.280 nan 0.000 0.518 277 R N 0.884 121.358 120.500 -0.043 0.000 2.080 277 R HA -0.166 4.173 4.340 -0.001 0.000 0.236 277 R C 2.430 178.626 176.300 -0.173 0.000 1.137 277 R CA 2.314 58.345 56.100 -0.116 0.000 0.943 277 R CB -1.007 29.364 30.300 0.119 0.000 0.846 277 R HN 0.450 nan 8.270 nan 0.000 0.431 278 S N -1.248 114.336 115.700 -0.193 0.000 2.461 278 S HA 0.003 4.472 4.470 -0.001 0.000 0.228 278 S C 1.514 176.059 174.600 -0.091 0.000 1.005 278 S CA 1.064 59.045 58.200 -0.366 0.000 0.942 278 S CB 0.103 62.919 63.200 -0.641 0.000 0.776 278 S HN 0.414 nan 8.310 nan 0.000 0.514 279 M N 1.250 120.728 119.600 -0.204 0.000 2.540 279 M HA 0.247 4.726 4.480 -0.001 0.000 0.404 279 M C 0.747 176.761 176.300 -0.477 0.000 1.133 279 M CA 0.007 55.191 55.300 -0.195 0.000 0.900 279 M CB 0.469 32.989 32.600 -0.132 0.000 1.540 279 M HN 0.460 nan 8.290 nan 0.000 0.539 280 N N 0.107 118.293 118.700 -0.856 0.000 2.381 280 N HA -0.168 4.571 4.740 -0.001 0.000 0.182 280 N C 1.083 176.063 175.510 -0.883 0.000 1.025 280 N CA 1.453 53.821 53.050 -1.137 0.000 0.888 280 N CB -0.391 37.105 38.487 -1.652 0.000 0.965 280 N HN 0.288 nan 8.380 nan 0.000 0.438 281 Y N 0.237 120.257 120.300 -0.468 0.000 2.114 281 Y HA -0.049 4.500 4.550 -0.002 0.000 0.284 281 Y C 2.161 177.946 175.900 -0.191 0.000 1.143 281 Y CA 0.719 58.631 58.100 -0.313 0.000 1.135 281 Y CB -0.623 37.678 38.460 -0.266 0.000 0.980 281 Y HN 0.120 nan 8.280 nan 0.000 0.499 282 I N -0.556 120.018 120.570 0.007 0.000 2.439 282 I HA -0.218 3.951 4.170 -0.001 0.000 0.251 282 I C 2.154 178.199 176.117 -0.119 0.000 1.139 282 I CA 1.169 62.491 61.300 0.036 0.000 1.438 282 I CB -0.447 37.602 38.000 0.083 0.000 1.085 282 I HN 0.047 nan 8.210 nan 0.000 0.427 283 S N 0.373 115.833 115.700 -0.401 0.000 2.368 283 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 283 S C 2.060 176.343 174.600 -0.527 0.000 1.029 283 S CA 1.088 58.918 58.200 -0.617 0.000 0.988 283 S CB -0.310 62.208 63.200 -1.137 0.000 0.838 283 S HN 0.440 nan 8.310 nan 0.000 0.462 284 R N 0.268 120.488 120.500 -0.467 0.000 2.081 284 R HA -0.115 4.225 4.340 -0.001 0.000 0.235 284 R C 2.370 178.680 176.300 0.017 0.000 1.131 284 R CA 1.646 57.679 56.100 -0.112 0.000 0.960 284 R CB -0.506 29.751 30.300 -0.072 0.000 0.856 284 R HN 0.539 nan 8.270 nan 0.000 0.436 285 H N 0.721 119.765 119.070 -0.044 0.000 2.353 285 H HA -0.019 4.536 4.556 -0.002 0.000 0.300 285 H C 1.974 177.324 175.328 0.037 0.000 1.090 285 H CA 1.845 57.900 56.048 0.012 0.000 1.327 285 H CB -0.047 29.739 29.762 0.041 0.000 1.383 285 H HN 0.042 nan 8.280 nan 0.000 0.508 286 M N -0.106 119.414 119.600 -0.132 0.000 2.229 286 M HA -0.121 4.359 4.480 -0.001 0.000 0.264 286 M C 2.353 178.657 176.300 0.006 0.000 1.063 286 M CA 1.795 57.076 55.300 -0.032 0.000 1.114 286 M CB -0.136 32.515 32.600 0.085 0.000 1.387 286 M HN 0.498 nan 8.290 nan 0.000 0.420 287 E N 0.837 121.058 120.200 0.035 0.000 2.072 287 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 287 E C 1.633 178.236 176.600 0.005 0.000 0.985 287 E CA 1.375 57.827 56.400 0.087 0.000 0.801 287 E CB 0.170 29.995 29.700 0.208 0.000 0.750 287 E HN 0.523 nan 8.360 nan 0.000 0.452 288 E N 0.536 120.709 120.200 -0.044 0.000 2.028 288 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 288 E C 2.096 178.593 176.600 -0.171 0.000 0.988 288 E CA 1.199 57.556 56.400 -0.071 0.000 0.799 288 E CB -0.028 29.651 29.700 -0.036 0.000 0.755 288 E HN 0.079 nan 8.360 nan 0.000 0.447 289 K N -0.125 120.053 120.400 -0.372 0.000 2.031 289 K HA -0.103 4.216 4.320 -0.001 0.000 0.205 289 K C 1.236 177.491 176.600 -0.576 0.000 1.049 289 K CA 1.176 57.124 56.287 -0.565 0.000 0.939 289 K CB 0.087 32.012 32.500 -0.959 0.000 0.717 289 K HN 0.141 nan 8.250 nan 0.000 0.438 290 Y N -0.901 119.331 120.300 -0.113 0.000 2.449 290 Y HA 0.277 4.826 4.550 -0.001 0.000 0.254 290 Y C 1.324 177.205 175.900 -0.031 0.000 1.140 290 Y CA 0.220 58.289 58.100 -0.053 0.000 1.272 290 Y CB 0.956 39.390 38.460 -0.044 0.000 1.114 290 Y HN 0.362 nan 8.280 nan 0.000 0.525 291 G N 0.912 109.756 108.800 0.074 0.000 2.184 291 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.264 291 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.264 291 G C 0.234 175.173 174.900 0.066 0.000 0.975 291 G CA 0.152 45.284 45.100 0.054 0.000 0.642 291 G HN 0.318 nan 8.290 nan 0.000 0.536 292 I N 3.642 124.271 120.570 0.099 0.000 2.598 292 I HA 0.211 4.380 4.170 -0.001 0.000 0.284 292 I C -1.035 175.145 176.117 0.106 0.000 1.140 292 I CA -1.620 59.729 61.300 0.082 0.000 1.420 292 I CB 0.751 38.797 38.000 0.077 0.000 1.387 292 I HN 0.010 nan 8.210 nan 0.000 0.553 293 P HA 0.127 nan 4.420 nan 0.000 0.276 293 P C -1.404 175.983 177.300 0.145 0.000 1.244 293 P CA -0.272 62.855 63.100 0.044 0.000 0.801 293 P CB 0.815 32.481 31.700 -0.058 0.000 1.006 294 W N 2.587 123.864 121.300 -0.038 0.000 3.032 294 W HA 0.656 5.315 4.660 -0.002 0.000 0.335 294 W C -1.490 175.021 176.519 -0.013 0.000 1.154 294 W CA -1.345 55.978 57.345 -0.036 0.000 1.204 294 W CB 1.066 30.494 29.460 -0.053 0.000 1.416 294 W HN 0.339 nan 8.180 nan 0.000 0.521 295 M N 0.790 120.528 119.600 0.230 0.000 2.484 295 M HA 0.560 5.039 4.480 -0.001 0.000 0.289 295 M C -1.397 175.058 176.300 0.258 0.000 1.206 295 M CA -0.664 54.689 55.300 0.088 0.000 0.892 295 M CB 3.247 35.843 32.600 -0.008 0.000 1.712 295 M HN 0.440 nan 8.290 nan 0.000 0.462 296 E N 2.506 122.832 120.200 0.211 0.000 2.283 296 E HA 0.471 4.820 4.350 -0.001 0.000 0.278 296 E C -1.663 175.040 176.600 0.171 0.000 1.027 296 E CA -0.344 56.186 56.400 0.215 0.000 0.843 296 E CB 1.019 30.820 29.700 0.169 0.000 1.062 296 E HN 0.600 nan 8.360 nan 0.000 0.401 297 Y N 0.403 120.676 120.300 -0.045 0.000 2.576 297 Y HA 0.611 5.160 4.550 -0.002 0.000 0.346 297 Y C -1.097 174.717 175.900 -0.143 0.000 1.018 297 Y CA -1.600 56.417 58.100 -0.139 0.000 1.050 297 Y CB 1.387 39.677 38.460 -0.283 0.000 1.280 297 Y HN 0.288 nan 8.280 nan 0.000 0.474 298 N N 1.974 120.569 118.700 -0.174 0.000 2.410 298 N HA 0.290 5.029 4.740 -0.001 0.000 0.287 298 N C -1.722 173.813 175.510 0.042 0.000 1.044 298 N CA -0.758 52.117 53.050 -0.291 0.000 0.881 298 N CB 0.711 38.830 38.487 -0.614 0.000 1.405 298 N HN 0.682 nan 8.380 nan 0.000 0.490 299 F N 2.429 122.253 119.950 -0.210 0.000 2.750 299 F HA 0.402 4.928 4.527 -0.002 0.000 0.297 299 F C -0.236 175.217 175.800 -0.578 0.000 1.138 299 F CA -0.853 56.943 58.000 -0.340 0.000 1.346 299 F CB -0.547 38.306 39.000 -0.245 0.000 0.965 299 F HN 0.343 nan 8.300 nan 0.000 0.514 300 F N 0.904 120.727 119.950 -0.211 0.000 2.368 300 F HA 0.536 5.062 4.527 -0.001 0.000 0.362 300 F C 0.937 176.469 175.800 -0.446 0.000 1.137 300 F CA -0.350 57.449 58.000 -0.336 0.000 1.161 300 F CB 0.282 39.105 39.000 -0.296 0.000 1.265 300 F HN 0.220 nan 8.300 nan 0.000 0.530 301 G N 5.023 113.587 108.800 -0.393 0.000 2.707 301 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.686 301 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.686 301 G C -2.232 172.194 174.900 -0.789 0.000 1.315 301 G CA -0.686 43.968 45.100 -0.742 0.000 0.832 301 G HN 0.368 nan 8.290 nan 0.000 0.573 302 P HA -0.068 nan 4.420 nan 0.000 0.215 302 P C 1.779 178.697 177.300 -0.636 0.000 1.157 302 P CA 2.476 65.019 63.100 -0.927 0.000 0.859 302 P CB -0.093 30.599 31.700 -1.679 0.000 0.786 303 T N 0.682 114.906 114.554 -0.550 0.000 2.708 303 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 303 T C 1.911 176.471 174.700 -0.233 0.000 1.037 303 T CA 1.349 63.253 62.100 -0.327 0.000 1.146 303 T CB -0.372 68.347 68.868 -0.249 0.000 0.865 303 T HN 0.114 nan 8.240 nan 0.000 0.435 304 K N 0.858 121.109 120.400 -0.248 0.000 2.057 304 K HA 0.010 4.329 4.320 -0.001 0.000 0.206 304 K C 2.577 179.110 176.600 -0.112 0.000 1.050 304 K CA 1.187 57.370 56.287 -0.173 0.000 0.935 304 K CB -0.908 31.479 32.500 -0.189 0.000 0.715 304 K HN 0.318 nan 8.250 nan 0.000 0.439 305 T N 2.057 116.472 114.554 -0.231 0.000 2.777 305 T HA -0.041 4.308 4.350 -0.001 0.000 0.266 305 T C 2.092 176.684 174.700 -0.180 0.000 1.040 305 T CA 0.996 62.919 62.100 -0.295 0.000 1.141 305 T CB -0.143 68.167 68.868 -0.930 0.000 0.868 305 T HN 0.109 nan 8.240 nan 0.000 0.444 306 I N 0.878 121.366 120.570 -0.138 0.000 2.226 306 I HA -0.150 4.019 4.170 -0.001 0.000 0.245 306 I C 2.767 178.898 176.117 0.024 0.000 1.100 306 I CA 1.320 62.627 61.300 0.012 0.000 1.374 306 I CB -0.330 37.691 38.000 0.035 0.000 1.057 306 I HN 0.340 nan 8.210 nan 0.000 0.413 307 E N 0.756 120.950 120.200 -0.010 0.000 2.085 307 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 307 E C 2.236 178.860 176.600 0.040 0.000 0.994 307 E CA 1.693 58.094 56.400 0.002 0.000 0.801 307 E CB 0.091 29.771 29.700 -0.032 0.000 0.743 307 E HN 0.357 nan 8.360 nan 0.000 0.453 308 S N 0.525 116.274 115.700 0.082 0.000 2.368 308 S HA -0.084 4.386 4.470 -0.001 0.000 0.224 308 S C 1.959 176.656 174.600 0.162 0.000 1.029 308 S CA 0.794 59.084 58.200 0.149 0.000 0.988 308 S CB -0.156 63.217 63.200 0.289 0.000 0.838 308 S HN 0.260 nan 8.310 nan 0.000 0.462 309 L N 0.823 122.156 121.223 0.183 0.000 2.046 309 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 309 L C 2.709 179.637 176.870 0.097 0.000 1.077 309 L CA 1.272 56.198 54.840 0.143 0.000 0.747 309 L CB -0.374 41.751 42.059 0.110 0.000 0.896 309 L HN 0.211 nan 8.230 nan 0.000 0.432 310 R N -0.353 120.196 120.500 0.082 0.000 2.092 310 R HA -0.098 4.241 4.340 -0.001 0.000 0.231 310 R C 2.417 178.755 176.300 0.062 0.000 1.119 310 R CA 1.226 57.366 56.100 0.067 0.000 0.970 310 R CB -0.423 29.909 30.300 0.053 0.000 0.864 310 R HN 0.345 nan 8.270 nan 0.000 0.440 311 A N 1.128 123.981 122.820 0.055 0.000 1.898 311 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 311 A C 2.124 179.744 177.584 0.060 0.000 1.181 311 A CA 1.135 53.197 52.037 0.042 0.000 0.620 311 A CB -0.398 18.618 19.000 0.027 0.000 0.819 311 A HN 0.163 nan 8.150 nan 0.000 0.442 312 I N -0.320 120.296 120.570 0.076 0.000 2.252 312 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 312 I C 2.906 179.159 176.117 0.226 0.000 1.102 312 I CA 0.998 62.367 61.300 0.114 0.000 1.385 312 I CB -0.266 37.764 38.000 0.051 0.000 1.064 312 I HN 0.345 nan 8.210 nan 0.000 0.414 313 A N 0.646 123.565 122.820 0.165 0.000 2.019 313 A HA -0.092 4.227 4.320 -0.001 0.000 0.219 313 A C 2.458 180.184 177.584 0.236 0.000 1.164 313 A CA 1.560 53.710 52.037 0.188 0.000 0.644 313 A CB -0.639 18.414 19.000 0.089 0.000 0.805 313 A HN 0.432 nan 8.150 nan 0.000 0.449 314 A N -0.455 122.456 122.820 0.151 0.000 2.067 314 A HA -0.059 4.260 4.320 -0.001 0.000 0.219 314 A C 1.839 179.466 177.584 0.072 0.000 1.158 314 A CA 1.314 53.410 52.037 0.099 0.000 0.661 314 A CB -0.215 18.816 19.000 0.051 0.000 0.801 314 A HN 0.297 nan 8.150 nan 0.000 0.452 315 K N -0.916 119.529 120.400 0.074 0.000 2.504 315 K HA 0.126 4.446 4.320 -0.001 0.000 0.195 315 K C -0.520 175.850 176.600 -0.383 0.000 1.036 315 K CA 0.393 56.582 56.287 -0.163 0.000 0.984 315 K CB -0.289 32.059 32.500 -0.255 0.000 0.788 315 K HN 0.513 nan 8.250 nan 0.000 0.488 316 F N 0.511 120.491 119.950 0.050 0.000 2.661 316 F HA 0.146 4.673 4.527 -0.000 0.000 0.347 316 F C 0.732 176.580 175.800 0.080 0.000 1.086 316 F CA -1.989 56.065 58.000 0.089 0.000 1.016 316 F CB 0.233 39.329 39.000 0.160 0.000 1.368 316 F HN -0.107 nan 8.300 nan 0.000 0.505 317 D N -0.414 120.184 120.400 0.330 0.000 2.312 317 D HA 0.008 4.647 4.640 -0.001 0.000 0.244 317 D C 0.565 176.957 176.300 0.154 0.000 1.328 317 D CA -0.030 54.089 54.000 0.199 0.000 0.965 317 D CB 0.267 41.183 40.800 0.193 0.000 1.140 317 D HN 0.659 nan 8.370 nan 0.000 0.523 318 E N -1.010 119.251 120.200 0.102 0.000 2.204 318 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 318 E C 2.035 178.665 176.600 0.051 0.000 0.989 318 E CA 1.227 57.668 56.400 0.068 0.000 0.824 318 E CB -0.132 29.598 29.700 0.051 0.000 0.756 318 E HN 0.561 nan 8.360 nan 0.000 0.477 319 S N 0.977 116.709 115.700 0.054 0.000 2.368 319 S HA -0.135 4.334 4.470 -0.001 0.000 0.225 319 S C 2.016 176.595 174.600 -0.034 0.000 1.030 319 S CA 0.653 58.859 58.200 0.011 0.000 0.999 319 S CB -0.190 63.019 63.200 0.015 0.000 0.844 319 S HN 0.088 nan 8.310 nan 0.000 0.459 320 I N 2.389 122.937 120.570 -0.036 0.000 2.252 320 I HA -0.119 4.050 4.170 -0.001 0.000 0.245 320 I C 2.832 178.937 176.117 -0.020 0.000 1.102 320 I CA 1.291 62.534 61.300 -0.094 0.000 1.385 320 I CB -1.678 36.263 38.000 -0.099 0.000 1.064 320 I HN 0.468 nan 8.210 nan 0.000 0.414 321 Q N 0.491 120.311 119.800 0.032 0.000 2.124 321 Q HA -0.233 4.106 4.340 -0.001 0.000 0.202 321 Q C 2.261 178.275 176.000 0.023 0.000 0.977 321 Q CA 1.422 57.249 55.803 0.040 0.000 0.850 321 Q CB -0.161 28.610 28.738 0.054 0.000 0.901 321 Q HN 0.455 nan 8.270 nan 0.000 0.429 322 K N 1.475 121.883 120.400 0.013 0.000 2.057 322 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 322 K C 1.755 178.355 176.600 0.000 0.000 1.049 322 K CA 1.280 57.571 56.287 0.007 0.000 0.931 322 K CB 0.096 32.596 32.500 0.002 0.000 0.714 322 K HN 0.017 nan 8.250 nan 0.000 0.440 323 K N 0.218 120.607 120.400 -0.018 0.000 2.209 323 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 323 K C 2.302 178.906 176.600 0.006 0.000 1.048 323 K CA 1.125 57.399 56.287 -0.022 0.000 0.940 323 K CB -0.252 32.209 32.500 -0.065 0.000 0.729 323 K HN 0.282 nan 8.250 nan 0.000 0.451 324 C N 1.748 121.058 119.300 0.016 0.000 2.446 324 C HA -0.063 4.396 4.460 -0.001 0.000 0.277 324 C C 2.348 177.377 174.990 0.065 0.000 1.275 324 C CA 0.875 59.922 59.018 0.047 0.000 1.727 324 C CB -0.479 27.290 27.740 0.049 0.000 2.010 324 C HN 0.390 nan 8.230 nan 0.000 0.486 325 E N 0.727 120.956 120.200 0.048 0.000 2.204 325 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 325 E C 2.022 178.646 176.600 0.040 0.000 0.989 325 E CA 1.071 57.500 56.400 0.048 0.000 0.824 325 E CB -0.470 29.250 29.700 0.034 0.000 0.756 325 E HN 0.743 nan 8.360 nan 0.000 0.477 326 E N 0.328 120.545 120.200 0.028 0.000 2.072 326 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 326 E C 2.195 178.812 176.600 0.029 0.000 0.985 326 E CA 0.881 57.288 56.400 0.013 0.000 0.801 326 E CB 0.083 29.783 29.700 -0.000 0.000 0.750 326 E HN 0.003 nan 8.360 nan 0.000 0.452 327 V N 1.566 121.527 119.914 0.078 0.000 2.343 327 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 327 V C 2.202 178.403 176.094 0.180 0.000 1.051 327 V CA 1.448 63.849 62.300 0.168 0.000 1.036 327 V CB -0.349 31.611 31.823 0.229 0.000 0.654 327 V HN 0.282 nan 8.190 nan 0.000 0.451 328 I N 0.366 121.021 120.570 0.142 0.000 2.226 328 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 328 I C 2.653 178.793 176.117 0.037 0.000 1.100 328 I CA 1.551 62.921 61.300 0.118 0.000 1.374 328 I CB -0.623 37.464 38.000 0.145 0.000 1.057 328 I HN 0.304 nan 8.210 nan 0.000 0.413 329 A N 0.889 123.716 122.820 0.013 0.000 1.933 329 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 329 A C 2.398 179.924 177.584 -0.095 0.000 1.175 329 A CA 1.907 53.922 52.037 -0.036 0.000 0.628 329 A CB -0.506 18.475 19.000 -0.032 0.000 0.814 329 A HN 0.418 nan 8.150 nan 0.000 0.444 330 K N -1.510 118.818 120.400 -0.119 0.000 2.026 330 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 330 K C 1.354 177.747 176.600 -0.346 0.000 1.048 330 K CA 1.768 57.905 56.287 -0.250 0.000 0.929 330 K CB -0.335 31.961 32.500 -0.341 0.000 0.713 330 K HN 0.504 nan 8.250 nan 0.000 0.439 331 Y N 0.799 120.952 120.300 -0.245 0.000 2.466 331 Y HA 0.134 4.682 4.550 -0.003 0.000 0.272 331 Y C 2.016 177.740 175.900 -0.293 0.000 1.169 331 Y CA 0.199 58.106 58.100 -0.322 0.000 1.285 331 Y CB 0.227 38.269 38.460 -0.696 0.000 1.078 331 Y HN 0.093 nan 8.280 nan 0.000 0.523 332 K N 1.437 121.738 120.400 -0.165 0.000 2.026 332 K HA -0.136 4.183 4.320 -0.001 0.000 0.208 332 K C -0.812 175.417 176.600 -0.619 0.000 1.048 332 K CA 1.436 57.487 56.287 -0.394 0.000 0.929 332 K CB -0.923 31.445 32.500 -0.219 0.000 0.713 332 K HN 0.168 nan 8.250 nan 0.000 0.439 333 P HA -0.157 nan 4.420 nan 0.000 0.218 333 P C 0.513 177.691 177.300 -0.204 0.000 1.149 333 P CA 1.471 64.403 63.100 -0.279 0.000 0.817 333 P CB 0.028 31.619 31.700 -0.181 0.000 0.785 334 E N -0.297 119.842 120.200 -0.102 0.000 2.072 334 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 334 E C 2.224 178.933 176.600 0.181 0.000 0.985 334 E CA 1.088 57.523 56.400 0.058 0.000 0.801 334 E CB -0.511 29.287 29.700 0.163 0.000 0.750 334 E HN 0.522 nan 8.360 nan 0.000 0.452 335 W N 1.061 122.439 121.300 0.131 0.000 2.518 335 W HA 0.064 4.722 4.660 -0.003 0.000 0.273 335 W C 1.087 177.739 176.519 0.221 0.000 1.247 335 W CA 0.336 57.839 57.345 0.263 0.000 1.288 335 W CB -0.333 29.295 29.460 0.279 0.000 1.107 335 W HN -0.020 nan 8.180 nan 0.000 0.586 336 E N 1.382 121.403 120.200 -0.298 0.000 2.106 336 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 336 E C 2.635 179.216 176.600 -0.031 0.000 0.984 336 E CA 1.524 57.724 56.400 -0.334 0.000 0.806 336 E CB -0.247 29.071 29.700 -0.636 0.000 0.750 336 E HN 0.279 nan 8.360 nan 0.000 0.458 337 A N 0.907 123.709 122.820 -0.030 0.000 1.930 337 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 337 A C 2.460 180.081 177.584 0.061 0.000 1.175 337 A CA 0.926 52.962 52.037 -0.002 0.000 0.627 337 A CB -0.461 18.529 19.000 -0.018 0.000 0.815 337 A HN 0.101 nan 8.150 nan 0.000 0.443 338 V N -0.496 119.517 119.914 0.165 0.000 2.358 338 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 338 V C 2.536 178.781 176.094 0.251 0.000 1.047 338 V CA 1.872 64.305 62.300 0.222 0.000 1.035 338 V CB -0.671 31.282 31.823 0.216 0.000 0.658 338 V HN 0.362 nan 8.190 nan 0.000 0.452 339 V N 0.264 120.373 119.914 0.326 0.000 2.358 339 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 339 V C 2.702 178.900 176.094 0.174 0.000 1.047 339 V CA 1.953 64.449 62.300 0.327 0.000 1.035 339 V CB -0.992 31.084 31.823 0.421 0.000 0.658 339 V HN 0.551 nan 8.190 nan 0.000 0.452 340 A N -0.071 122.808 122.820 0.099 0.000 1.877 340 A HA -0.277 4.042 4.320 -0.001 0.000 0.216 340 A C 2.325 179.892 177.584 -0.028 0.000 1.186 340 A CA 2.340 54.392 52.037 0.026 0.000 0.620 340 A CB -0.451 18.542 19.000 -0.011 0.000 0.822 340 A HN 0.543 nan 8.150 nan 0.000 0.443 341 K N -1.980 118.361 120.400 -0.097 0.000 2.031 341 K HA -0.122 4.197 4.320 -0.001 0.000 0.205 341 K C 1.756 178.158 176.600 -0.330 0.000 1.049 341 K CA 1.625 57.743 56.287 -0.280 0.000 0.939 341 K CB -0.301 31.901 32.500 -0.497 0.000 0.717 341 K HN 0.488 nan 8.250 nan 0.000 0.438 342 Y N 0.305 120.598 120.300 -0.013 0.000 2.397 342 Y HA 0.124 4.672 4.550 -0.002 0.000 0.292 342 Y C 2.369 178.264 175.900 -0.008 0.000 1.115 342 Y CA 0.651 58.731 58.100 -0.033 0.000 1.208 342 Y CB -0.158 38.244 38.460 -0.097 0.000 1.046 342 Y HN 0.044 nan 8.280 nan 0.000 0.552 343 R N 0.639 121.238 120.500 0.163 0.000 2.081 343 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 343 R C -0.966 175.385 176.300 0.086 0.000 1.131 343 R CA 1.552 57.730 56.100 0.130 0.000 0.960 343 R CB -1.223 29.162 30.300 0.141 0.000 0.856 343 R HN 0.199 nan 8.270 nan 0.000 0.436 344 P HA -0.102 nan 4.420 nan 0.000 0.220 344 P C 0.478 177.802 177.300 0.041 0.000 1.148 344 P CA 1.376 64.500 63.100 0.040 0.000 0.803 344 P CB -0.059 31.651 31.700 0.017 0.000 0.782 345 R N -1.127 119.405 120.500 0.053 0.000 2.193 345 R HA 0.131 4.470 4.340 -0.001 0.000 0.213 345 R C 1.575 177.910 176.300 0.058 0.000 1.055 345 R CA 0.796 56.931 56.100 0.058 0.000 0.995 345 R CB -0.322 30.029 30.300 0.086 0.000 0.893 345 R HN 0.279 nan 8.270 nan 0.000 0.459 346 L N -0.093 121.168 121.223 0.062 0.000 2.858 346 L HA 0.182 4.521 4.340 -0.001 0.000 0.251 346 L C 0.280 177.180 176.870 0.051 0.000 1.149 346 L CA -0.310 54.560 54.840 0.049 0.000 0.955 346 L CB 0.375 42.461 42.059 0.045 0.000 1.289 346 L HN 0.014 nan 8.230 nan 0.000 0.542 347 E N 0.843 121.075 120.200 0.053 0.000 2.529 347 E HA 0.159 4.509 4.350 -0.001 0.000 0.259 347 E C 1.300 177.919 176.600 0.032 0.000 0.966 347 E CA 1.362 57.791 56.400 0.047 0.000 0.937 347 E CB 0.351 30.077 29.700 0.044 0.000 0.923 347 E HN 0.309 nan 8.360 nan 0.000 0.468 348 G N 3.759 112.576 108.800 0.029 0.000 2.234 348 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 348 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 348 G C -0.054 174.847 174.900 0.003 0.000 0.987 348 G CA 0.288 45.396 45.100 0.014 0.000 0.625 348 G HN 0.466 nan 8.290 nan 0.000 0.532 349 K N 0.990 121.395 120.400 0.007 0.000 2.382 349 K HA 0.383 4.702 4.320 -0.001 0.000 0.275 349 K C 0.718 177.299 176.600 -0.032 0.000 1.009 349 K CA -0.004 56.276 56.287 -0.012 0.000 0.970 349 K CB 0.621 33.118 32.500 -0.006 0.000 0.934 349 K HN 0.468 nan 8.250 nan 0.000 0.479 350 R N 0.827 121.293 120.500 -0.057 0.000 2.338 350 R HA 0.443 4.783 4.340 -0.001 0.000 0.317 350 R C -0.497 175.728 176.300 -0.125 0.000 0.968 350 R CA -0.666 55.382 56.100 -0.086 0.000 0.849 350 R CB 1.668 31.924 30.300 -0.073 0.000 1.128 350 R HN 0.287 nan 8.270 nan 0.000 0.448 351 V N 4.578 124.384 119.914 -0.179 0.000 2.823 351 V HA 0.569 4.688 4.120 -0.001 0.000 0.312 351 V C -0.975 174.987 176.094 -0.221 0.000 1.072 351 V CA -0.823 61.333 62.300 -0.240 0.000 0.937 351 V CB 2.138 33.718 31.823 -0.404 0.000 1.013 351 V HN 0.715 nan 8.190 nan 0.000 0.430 352 M N 6.396 125.897 119.600 -0.165 0.000 2.383 352 M HA 0.611 5.090 4.480 -0.001 0.000 0.325 352 M C -1.365 174.932 176.300 -0.004 0.000 1.092 352 M CA -0.426 54.841 55.300 -0.056 0.000 0.961 352 M CB 2.011 34.611 32.600 -0.000 0.000 1.672 352 M HN 0.427 nan 8.290 nan 0.000 0.438 353 L N 2.310 123.577 121.223 0.073 0.000 2.354 353 L HA 0.606 4.945 4.340 -0.001 0.000 0.269 353 L C -1.559 175.531 176.870 0.367 0.000 1.005 353 L CA -0.929 53.965 54.840 0.090 0.000 0.819 353 L CB 2.023 44.030 42.059 -0.087 0.000 1.311 353 L HN 0.555 nan 8.230 nan 0.000 0.423 354 Y N 3.622 124.025 120.300 0.172 0.000 2.301 354 Y HA 0.702 5.252 4.550 -0.001 0.000 0.325 354 Y C -1.128 174.806 175.900 0.057 0.000 1.103 354 Y CA -0.827 57.438 58.100 0.276 0.000 1.182 354 Y CB 0.873 39.631 38.460 0.496 0.000 1.139 354 Y HN 0.396 nan 8.280 nan 0.000 0.443 355 I N 2.254 122.510 120.570 -0.524 0.000 3.509 355 I HA 0.562 4.731 4.170 -0.001 0.000 0.311 355 I C 1.028 176.758 176.117 -0.647 0.000 1.178 355 I CA -0.921 60.020 61.300 -0.598 0.000 0.963 355 I CB 1.378 39.044 38.000 -0.557 0.000 1.352 355 I HN 0.581 nan 8.210 nan 0.000 0.482 356 G N 0.218 108.707 108.800 -0.519 0.000 2.705 356 G HA2 0.102 4.061 3.960 -0.001 0.000 0.214 356 G HA3 0.102 4.061 3.960 -0.001 0.000 0.214 356 G C 0.990 175.346 174.900 -0.906 0.000 1.321 356 G CA 1.193 45.882 45.100 -0.686 0.000 0.826 356 G HN 0.855 nan 8.290 nan 0.000 0.595 357 G N -1.545 107.128 108.800 -0.211 0.000 3.314 357 G HA2 0.360 4.319 3.960 -0.001 0.000 0.230 357 G HA3 0.360 4.319 3.960 -0.001 0.000 0.230 357 G C 0.882 175.944 174.900 0.270 0.000 1.058 357 G CA 0.820 46.023 45.100 0.171 0.000 0.926 357 G HN 0.456 nan 8.290 nan 0.000 0.564 358 L N -0.525 120.786 121.223 0.147 0.000 2.678 358 L HA 0.507 4.846 4.340 -0.001 0.000 0.187 358 L C 2.275 179.131 176.870 -0.023 0.000 1.073 358 L CA 0.677 55.556 54.840 0.065 0.000 0.883 358 L CB -0.435 41.608 42.059 -0.026 0.000 1.501 358 L HN -0.051 nan 8.230 nan 0.000 0.488 359 R N 0.519 120.974 120.500 -0.076 0.000 2.170 359 R HA -0.130 4.209 4.340 -0.001 0.000 0.242 359 R C -0.841 175.311 176.300 -0.246 0.000 1.145 359 R CA 1.813 57.831 56.100 -0.136 0.000 0.984 359 R CB -1.576 28.651 30.300 -0.121 0.000 0.869 359 R HN 0.400 nan 8.270 nan 0.000 0.455 360 P HA -0.182 nan 4.420 nan 0.000 0.220 360 P C 0.742 177.801 177.300 -0.402 0.000 1.148 360 P CA 1.428 64.175 63.100 -0.589 0.000 0.803 360 P CB 0.043 30.972 31.700 -1.285 0.000 0.782 361 R N -3.151 117.200 120.500 -0.248 0.000 2.279 361 R HA 0.144 4.483 4.340 -0.001 0.000 0.195 361 R C 1.771 178.035 176.300 -0.060 0.000 0.905 361 R CA 0.237 56.276 56.100 -0.102 0.000 1.044 361 R CB -1.066 29.245 30.300 0.019 0.000 1.056 361 R HN 0.101 nan 8.270 nan 0.000 0.535 362 H N 1.266 120.229 119.070 -0.178 0.000 2.423 362 H HA -0.014 4.541 4.556 -0.002 0.000 0.297 362 H C 1.767 176.903 175.328 -0.321 0.000 1.075 362 H CA 1.986 57.923 56.048 -0.185 0.000 1.342 362 H CB 0.509 30.206 29.762 -0.108 0.000 1.395 362 H HN 0.188 nan 8.280 nan 0.000 0.530 363 V N -1.846 117.839 119.914 -0.381 0.000 3.649 363 V HA 0.100 4.219 4.120 -0.001 0.000 0.275 363 V C 1.843 177.877 176.094 -0.101 0.000 1.281 363 V CA 0.345 62.340 62.300 -0.509 0.000 1.143 363 V CB -0.637 30.847 31.823 -0.566 0.000 0.892 363 V HN 0.285 nan 8.190 nan 0.000 0.441 364 I N 2.226 122.761 120.570 -0.059 0.000 2.226 364 I HA -0.095 4.074 4.170 -0.001 0.000 0.245 364 I C 2.758 178.892 176.117 0.029 0.000 1.100 364 I CA 1.891 63.207 61.300 0.025 0.000 1.374 364 I CB -0.831 37.134 38.000 -0.058 0.000 1.057 364 I HN 0.453 nan 8.210 nan 0.000 0.413 365 G N 0.572 109.328 108.800 -0.073 0.000 2.469 365 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.219 365 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.219 365 G C 1.854 176.693 174.900 -0.103 0.000 1.150 365 G CA 0.927 45.967 45.100 -0.101 0.000 0.763 365 G HN 0.506 nan 8.290 nan 0.000 0.561 366 A N 0.007 122.733 122.820 -0.157 0.000 1.902 366 A HA 0.028 4.348 4.320 -0.001 0.000 0.217 366 A C 2.235 179.869 177.584 0.084 0.000 1.181 366 A CA 1.542 53.462 52.037 -0.194 0.000 0.623 366 A CB -0.616 18.003 19.000 -0.634 0.000 0.818 366 A HN 0.412 nan 8.150 nan 0.000 0.443 367 Y N 0.264 120.651 120.300 0.145 0.000 2.293 367 Y HA -0.136 4.413 4.550 -0.001 0.000 0.291 367 Y C 2.477 178.435 175.900 0.095 0.000 1.137 367 Y CA 1.618 59.827 58.100 0.181 0.000 1.202 367 Y CB -0.234 38.280 38.460 0.091 0.000 0.990 367 Y HN 0.438 nan 8.280 nan 0.000 0.537 368 E N -0.119 120.195 120.200 0.189 0.000 2.072 368 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 368 E C 1.432 178.086 176.600 0.090 0.000 0.985 368 E CA 1.222 57.682 56.400 0.099 0.000 0.801 368 E CB -0.151 29.569 29.700 0.034 0.000 0.750 368 E HN 0.437 nan 8.360 nan 0.000 0.452 369 D N 0.384 120.822 120.400 0.063 0.000 2.354 369 D HA -0.114 4.525 4.640 -0.001 0.000 0.216 369 D C 1.310 177.737 176.300 0.213 0.000 0.970 369 D CA 0.868 54.908 54.000 0.066 0.000 0.905 369 D CB 0.142 40.874 40.800 -0.112 0.000 0.903 369 D HN 0.206 nan 8.370 nan 0.000 0.508 370 L N -1.072 120.289 121.223 0.230 0.000 2.769 370 L HA 0.249 4.588 4.340 -0.001 0.000 0.240 370 L C 1.408 178.368 176.870 0.151 0.000 1.163 370 L CA 0.040 55.011 54.840 0.217 0.000 0.962 370 L CB 0.467 42.640 42.059 0.189 0.000 1.258 370 L HN 0.017 nan 8.230 nan 0.000 0.513 371 G N 0.307 109.186 108.800 0.131 0.000 2.162 371 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.260 371 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.260 371 G C 0.323 175.274 174.900 0.085 0.000 0.976 371 G CA 0.190 45.347 45.100 0.094 0.000 0.655 371 G HN 0.268 nan 8.290 nan 0.000 0.533 372 M N 0.068 119.740 119.600 0.121 0.000 2.291 372 M HA 0.499 4.979 4.480 -0.001 0.000 0.324 372 M C 0.411 176.749 176.300 0.062 0.000 1.148 372 M CA -0.138 55.225 55.300 0.106 0.000 1.104 372 M CB 1.199 33.922 32.600 0.205 0.000 1.483 372 M HN 0.251 nan 8.290 nan 0.000 0.467 373 E N 1.007 121.205 120.200 -0.003 0.000 2.222 373 E HA 0.413 4.762 4.350 -0.001 0.000 0.267 373 E C -1.707 174.829 176.600 -0.107 0.000 0.884 373 E CA -0.655 55.721 56.400 -0.040 0.000 0.764 373 E CB 1.864 31.541 29.700 -0.038 0.000 1.169 373 E HN 0.443 nan 8.360 nan 0.000 0.413 374 V N 6.119 125.960 119.914 -0.121 0.000 2.339 374 V HA 0.037 4.156 4.120 -0.001 0.000 0.261 374 V C 1.302 177.318 176.094 -0.130 0.000 1.058 374 V CA -0.181 62.014 62.300 -0.175 0.000 0.897 374 V CB 0.527 32.247 31.823 -0.171 0.000 1.052 374 V HN 0.693 nan 8.190 nan 0.000 0.480 375 V N 2.411 122.250 119.914 -0.125 0.000 2.591 375 V HA 0.406 4.525 4.120 -0.001 0.000 0.249 375 V C 0.932 176.967 176.094 -0.099 0.000 1.053 375 V CA 1.251 63.491 62.300 -0.100 0.000 1.068 375 V CB -0.446 31.323 31.823 -0.090 0.000 0.689 375 V HN 0.751 nan 8.190 nan 0.000 0.462 376 G N -1.656 107.089 108.800 -0.091 0.000 2.696 376 G HA2 0.586 4.545 3.960 -0.001 0.000 0.295 376 G HA3 0.586 4.545 3.960 -0.001 0.000 0.295 376 G C -1.242 173.617 174.900 -0.068 0.000 1.398 376 G CA 0.175 45.241 45.100 -0.057 0.000 0.920 376 G HN 0.314 nan 8.290 nan 0.000 0.492 377 T N -1.232 113.138 114.554 -0.306 0.000 2.830 377 T HA 0.807 5.156 4.350 -0.001 0.000 0.322 377 T C -0.366 173.834 174.700 -0.832 0.000 1.501 377 T CA 0.458 62.355 62.100 -0.338 0.000 1.036 377 T CB 1.596 70.299 68.868 -0.274 0.000 1.379 377 T HN 1.909 nan 8.240 nan 0.000 0.493 378 G N 1.039 109.603 108.800 -0.392 0.000 2.559 378 G HA2 0.612 4.571 3.960 -0.001 0.000 0.291 378 G HA3 0.612 4.571 3.960 -0.001 0.000 0.291 378 G C -2.564 172.393 174.900 0.095 0.000 1.424 378 G CA -0.558 44.484 45.100 -0.097 0.000 0.786 378 G HN 0.592 nan 8.290 nan 0.000 0.485 379 Y N -0.446 119.985 120.300 0.218 0.000 2.499 379 Y HA 0.494 5.044 4.550 -0.002 0.000 0.347 379 Y C 1.348 177.248 175.900 -0.000 0.000 0.987 379 Y CA -0.815 57.234 58.100 -0.084 0.000 1.044 379 Y CB 2.504 40.839 38.460 -0.209 0.000 1.245 379 Y HN 0.680 nan 8.280 nan 0.000 0.461 380 E N 1.224 121.276 120.200 -0.247 0.000 2.072 380 E HA -0.124 4.225 4.350 -0.001 0.000 0.191 380 E C 0.145 176.819 176.600 0.123 0.000 0.985 380 E CA 1.666 58.038 56.400 -0.046 0.000 0.801 380 E CB 0.021 29.600 29.700 -0.201 0.000 0.750 380 E HN 0.634 nan 8.360 nan 0.000 0.452 381 F N -2.453 117.650 119.950 0.254 0.000 2.859 381 F HA 0.566 5.092 4.527 -0.002 0.000 0.324 381 F C 0.052 176.002 175.800 0.250 0.000 1.158 381 F CA -1.044 57.100 58.000 0.241 0.000 1.147 381 F CB -0.550 38.554 39.000 0.173 0.000 1.137 381 F HN -0.212 nan 8.300 nan 0.000 0.516 382 A N 1.106 124.047 122.820 0.202 0.000 2.429 382 A HA 0.349 4.668 4.320 -0.001 0.000 0.242 382 A C -0.047 177.763 177.584 0.376 0.000 1.088 382 A CA 0.114 52.180 52.037 0.050 0.000 0.784 382 A CB -0.069 18.383 19.000 -0.913 0.000 1.038 382 A HN 0.684 nan 8.150 nan 0.000 0.501 383 H N -0.711 118.416 119.070 0.094 0.000 2.630 383 H HA 0.191 4.746 4.556 -0.001 0.000 0.343 383 H C 0.564 175.998 175.328 0.177 0.000 1.232 383 H CA -0.662 55.482 56.048 0.160 0.000 1.294 383 H CB 1.090 30.940 29.762 0.146 0.000 1.746 383 H HN 0.806 nan 8.280 nan 0.000 0.593 384 N N 0.423 119.299 118.700 0.293 0.000 2.289 384 N HA -0.179 4.560 4.740 -0.001 0.000 0.184 384 N C 1.112 176.718 175.510 0.161 0.000 1.016 384 N CA 1.448 54.632 53.050 0.223 0.000 0.872 384 N CB -0.040 38.511 38.487 0.107 0.000 0.973 384 N HN 0.580 nan 8.380 nan 0.000 0.433 385 D N 0.079 120.558 120.400 0.132 0.000 2.219 385 D HA -0.147 4.493 4.640 -0.001 0.000 0.205 385 D C 0.929 177.172 176.300 -0.095 0.000 0.970 385 D CA 1.038 55.054 54.000 0.028 0.000 0.851 385 D CB -0.357 40.482 40.800 0.064 0.000 0.943 385 D HN 0.200 nan 8.370 nan 0.000 0.488 386 D N -0.206 120.121 120.400 -0.121 0.000 2.117 386 D HA -0.142 4.497 4.640 -0.001 0.000 0.198 386 D C 1.720 177.814 176.300 -0.343 0.000 0.982 386 D CA 0.886 54.687 54.000 -0.331 0.000 0.828 386 D CB -0.361 40.083 40.800 -0.593 0.000 0.967 386 D HN 0.307 nan 8.370 nan 0.000 0.464 387 Y N 1.663 121.856 120.300 -0.178 0.000 2.421 387 Y HA -0.109 4.441 4.550 -0.001 0.000 0.292 387 Y C 2.083 177.950 175.900 -0.055 0.000 1.136 387 Y CA 0.685 58.731 58.100 -0.089 0.000 1.255 387 Y CB -0.053 38.366 38.460 -0.068 0.000 0.991 387 Y HN -0.097 nan 8.280 nan 0.000 0.552 388 D N -0.225 120.209 120.400 0.057 0.000 2.117 388 D HA -0.118 4.521 4.640 -0.001 0.000 0.198 388 D C 2.116 178.403 176.300 -0.021 0.000 0.982 388 D CA 1.130 55.138 54.000 0.013 0.000 0.828 388 D CB -0.186 40.605 40.800 -0.015 0.000 0.967 388 D HN 0.323 nan 8.370 nan 0.000 0.464 389 R N 0.067 120.529 120.500 -0.063 0.000 2.092 389 R HA -0.028 4.312 4.340 -0.001 0.000 0.231 389 R C 2.296 178.571 176.300 -0.040 0.000 1.119 389 R CA 1.250 57.303 56.100 -0.078 0.000 0.970 389 R CB -0.286 29.935 30.300 -0.131 0.000 0.864 389 R HN 0.115 nan 8.270 nan 0.000 0.440 390 T N 1.230 115.776 114.554 -0.014 0.000 2.777 390 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 390 T C 1.873 176.584 174.700 0.018 0.000 1.040 390 T CA 1.233 63.346 62.100 0.022 0.000 1.141 390 T CB -0.053 68.863 68.868 0.081 0.000 0.868 390 T HN 0.175 nan 8.240 nan 0.000 0.444 391 M N 1.586 121.206 119.600 0.034 0.000 2.117 391 M HA -0.119 4.360 4.480 -0.001 0.000 0.262 391 M C 2.423 178.716 176.300 -0.012 0.000 1.065 391 M CA 1.585 56.895 55.300 0.016 0.000 1.114 391 M CB -0.619 31.996 32.600 0.025 0.000 1.361 391 M HN 0.334 nan 8.290 nan 0.000 0.408 392 K N -0.140 120.248 120.400 -0.020 0.000 2.211 392 K HA -0.091 4.228 4.320 -0.001 0.000 0.203 392 K C 1.415 177.992 176.600 -0.038 0.000 1.050 392 K CA 1.040 57.309 56.287 -0.030 0.000 0.945 392 K CB -0.263 32.216 32.500 -0.035 0.000 0.732 392 K HN 0.233 nan 8.250 nan 0.000 0.451 393 E N 0.626 120.802 120.200 -0.041 0.000 2.150 393 E HA 0.001 4.350 4.350 -0.001 0.000 0.193 393 E C 0.876 177.445 176.600 -0.053 0.000 0.985 393 E CA 0.715 57.084 56.400 -0.053 0.000 0.814 393 E CB -0.037 29.627 29.700 -0.060 0.000 0.752 393 E HN 0.340 nan 8.360 nan 0.000 0.466 394 M N 0.349 119.920 119.600 -0.049 0.000 2.255 394 M HA 0.284 4.763 4.480 -0.001 0.000 0.336 394 M C 0.930 177.200 176.300 -0.049 0.000 1.135 394 M CA -0.236 55.030 55.300 -0.057 0.000 1.145 394 M CB 0.614 33.178 32.600 -0.061 0.000 1.473 394 M HN -0.124 nan 8.290 nan 0.000 0.462 395 G N 0.406 109.174 108.800 -0.052 0.000 2.562 395 G HA2 0.127 4.086 3.960 -0.001 0.000 0.275 395 G HA3 0.127 4.086 3.960 -0.001 0.000 0.275 395 G C -0.460 174.413 174.900 -0.044 0.000 1.196 395 G CA -0.451 44.623 45.100 -0.044 0.000 0.908 395 G HN 0.740 nan 8.290 nan 0.000 0.524 396 D N -0.699 119.679 120.400 -0.038 0.000 2.414 396 D HA 0.108 4.747 4.640 -0.001 0.000 0.242 396 D C 0.577 176.851 176.300 -0.042 0.000 1.129 396 D CA 0.723 54.700 54.000 -0.037 0.000 0.885 396 D CB 0.649 41.431 40.800 -0.030 0.000 1.198 396 D HN 0.323 nan 8.370 nan 0.000 0.437 397 S N 0.679 116.351 115.700 -0.046 0.000 3.490 397 S HA -0.162 4.307 4.470 -0.001 0.000 0.301 397 S C 0.369 174.929 174.600 -0.066 0.000 1.233 397 S CA 1.009 59.178 58.200 -0.052 0.000 0.914 397 S CB -1.977 61.197 63.200 -0.044 0.000 1.047 397 S HN 0.805 nan 8.310 nan 0.000 0.602 398 T N -0.064 114.446 114.554 -0.073 0.000 2.922 398 T HA 0.701 5.050 4.350 -0.001 0.000 0.285 398 T C -0.045 174.587 174.700 -0.113 0.000 1.005 398 T CA -0.939 61.107 62.100 -0.090 0.000 1.061 398 T CB 1.550 70.365 68.868 -0.089 0.000 1.007 398 T HN 0.235 nan 8.240 nan 0.000 0.502 399 L N 2.307 123.448 121.223 -0.137 0.000 2.326 399 L HA 0.604 4.943 4.340 -0.001 0.000 0.278 399 L C -1.042 175.671 176.870 -0.262 0.000 1.092 399 L CA -0.632 54.102 54.840 -0.177 0.000 0.810 399 L CB 0.287 42.215 42.059 -0.218 0.000 1.153 399 L HN 0.690 nan 8.230 nan 0.000 0.439 400 L N 6.351 127.418 121.223 -0.259 0.000 2.381 400 L HA 0.519 4.858 4.340 -0.001 0.000 0.274 400 L C -1.367 175.366 176.870 -0.229 0.000 0.988 400 L CA -0.796 53.842 54.840 -0.337 0.000 0.824 400 L CB 1.560 43.560 42.059 -0.097 0.000 1.263 400 L HN 0.633 nan 8.230 nan 0.000 0.410 401 Y N -0.259 120.102 120.300 0.103 0.000 2.512 401 Y HA 0.688 5.237 4.550 -0.002 0.000 0.348 401 Y C -1.004 175.107 175.900 0.352 0.000 0.990 401 Y CA -1.437 56.757 58.100 0.156 0.000 1.033 401 Y CB 1.550 40.069 38.460 0.098 0.000 1.259 401 Y HN 0.460 nan 8.280 nan 0.000 0.461 402 D N 1.420 122.106 120.400 0.477 0.000 2.505 402 D HA 0.275 4.914 4.640 -0.001 0.000 0.249 402 D C -0.770 175.801 176.300 0.452 0.000 1.082 402 D CA -0.275 54.040 54.000 0.525 0.000 0.839 402 D CB 1.163 42.216 40.800 0.420 0.000 1.317 402 D HN 0.741 nan 8.370 nan 0.000 0.497 403 D N 2.665 123.365 120.400 0.500 0.000 2.686 403 D HA -0.202 4.437 4.640 -0.001 0.000 0.235 403 D C -0.645 175.831 176.300 0.293 0.000 1.160 403 D CA 0.451 54.683 54.000 0.388 0.000 0.645 403 D CB -0.884 40.041 40.800 0.209 0.000 1.039 403 D HN 0.194 nan 8.370 nan 0.000 0.423 404 V N 0.951 121.043 119.914 0.298 0.000 2.788 404 V HA 0.291 4.410 4.120 -0.001 0.000 0.307 404 V C 1.290 177.439 176.094 0.091 0.000 1.069 404 V CA 0.815 63.193 62.300 0.129 0.000 1.173 404 V CB 0.886 32.666 31.823 -0.072 0.000 0.925 404 V HN 0.515 nan 8.190 nan 0.000 0.492 405 T N 3.610 118.234 114.554 0.115 0.000 2.874 405 T HA 0.446 4.795 4.350 -0.001 0.000 0.281 405 T C 1.340 176.110 174.700 0.117 0.000 0.994 405 T CA -0.061 62.116 62.100 0.129 0.000 1.015 405 T CB 1.284 70.266 68.868 0.190 0.000 1.028 405 T HN 0.989 nan 8.240 nan 0.000 0.523 406 G N -0.268 108.602 108.800 0.118 0.000 2.440 406 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 406 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 406 G C 1.178 176.138 174.900 0.101 0.000 1.154 406 G CA 0.997 46.151 45.100 0.091 0.000 0.767 406 G HN 0.892 nan 8.290 nan 0.000 0.552 407 Y N 1.233 121.533 120.300 0.000 0.000 2.200 407 Y HA -0.024 4.525 4.550 -0.001 0.000 0.290 407 Y C 2.715 178.523 175.900 -0.153 0.000 1.137 407 Y CA 2.134 60.207 58.100 -0.045 0.000 1.163 407 Y CB -0.099 38.355 38.460 -0.010 0.000 0.988 407 Y HN 0.339 nan 8.280 nan 0.000 0.518 408 E N -0.558 119.542 120.200 -0.167 0.000 2.077 408 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 408 E C 1.910 177.985 176.600 -0.876 0.000 0.989 408 E CA 1.336 57.345 56.400 -0.652 0.000 0.800 408 E CB -0.391 29.122 29.700 -0.312 0.000 0.746 408 E HN 0.483 nan 8.360 nan 0.000 0.452 409 F N 1.865 121.557 119.950 -0.430 0.000 2.186 409 F HA -0.144 4.382 4.527 -0.001 0.000 0.299 409 F C 2.271 178.019 175.800 -0.086 0.000 1.090 409 F CA 1.443 59.297 58.000 -0.244 0.000 1.307 409 F CB -0.006 38.920 39.000 -0.124 0.000 1.019 409 F HN -0.022 nan 8.300 nan 0.000 0.489 410 E N -0.161 120.136 120.200 0.162 0.000 2.051 410 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 410 E C 2.025 178.599 176.600 -0.042 0.000 0.991 410 E CA 1.388 57.877 56.400 0.149 0.000 0.799 410 E CB -0.028 29.647 29.700 -0.042 0.000 0.748 410 E HN 0.324 nan 8.360 nan 0.000 0.449 411 E N 0.062 120.049 120.200 -0.354 0.000 2.072 411 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 411 E C 1.982 178.458 176.600 -0.205 0.000 0.985 411 E CA 0.728 56.897 56.400 -0.385 0.000 0.801 411 E CB -0.362 28.923 29.700 -0.691 0.000 0.750 411 E HN 0.321 nan 8.360 nan 0.000 0.452 412 F N 0.832 120.645 119.950 -0.229 0.000 2.134 412 F HA -0.145 4.381 4.527 -0.002 0.000 0.299 412 F C 2.550 178.237 175.800 -0.189 0.000 1.097 412 F CA 0.445 58.299 58.000 -0.244 0.000 1.264 412 F CB -1.263 37.487 39.000 -0.417 0.000 1.001 412 F HN -0.153 nan 8.300 nan 0.000 0.479 413 V N 0.088 120.028 119.914 0.042 0.000 2.343 413 V HA -0.293 3.826 4.120 -0.001 0.000 0.247 413 V C 2.313 178.429 176.094 0.037 0.000 1.051 413 V CA 1.795 64.111 62.300 0.027 0.000 1.036 413 V CB -0.614 31.262 31.823 0.087 0.000 0.654 413 V HN 0.286 nan 8.190 nan 0.000 0.451 414 K N -0.269 120.159 120.400 0.045 0.000 2.057 414 K HA -0.232 4.087 4.320 -0.001 0.000 0.207 414 K C 2.374 178.979 176.600 0.009 0.000 1.049 414 K CA 1.704 58.007 56.287 0.027 0.000 0.931 414 K CB -0.221 32.280 32.500 0.002 0.000 0.714 414 K HN 0.201 nan 8.250 nan 0.000 0.440 415 R N 1.445 121.950 120.500 0.007 0.000 2.057 415 R HA 0.018 4.357 4.340 -0.001 0.000 0.229 415 R C 1.934 178.232 176.300 -0.003 0.000 1.136 415 R CA 1.320 57.423 56.100 0.006 0.000 0.952 415 R CB -0.432 29.881 30.300 0.021 0.000 0.848 415 R HN 0.130 nan 8.270 nan 0.000 0.430 416 I N 0.912 121.478 120.570 -0.008 0.000 2.394 416 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 416 I C 0.269 176.365 176.117 -0.035 0.000 1.136 416 I CA 0.869 62.151 61.300 -0.031 0.000 1.425 416 I CB -0.200 37.768 38.000 -0.052 0.000 1.079 416 I HN 0.208 nan 8.210 nan 0.000 0.425 417 K N 0.621 121.003 120.400 -0.030 0.000 3.653 417 K HA -0.148 4.171 4.320 -0.001 0.000 0.275 417 K C -2.199 174.368 176.600 -0.055 0.000 0.962 417 K CA -0.243 56.023 56.287 -0.034 0.000 0.773 417 K CB -1.528 30.958 32.500 -0.023 0.000 1.463 417 K HN 0.333 nan 8.250 nan 0.000 0.450 418 P HA 0.012 nan 4.420 nan 0.000 0.272 418 P C 0.059 177.292 177.300 -0.111 0.000 1.230 418 P CA -0.083 62.959 63.100 -0.096 0.000 0.788 418 P CB 0.677 32.308 31.700 -0.115 0.000 0.949 419 D N -0.006 120.328 120.400 -0.110 0.000 2.183 419 D HA 0.002 4.641 4.640 -0.001 0.000 0.203 419 D C 0.599 176.798 176.300 -0.169 0.000 0.969 419 D CA 1.319 55.245 54.000 -0.123 0.000 0.842 419 D CB 0.244 40.991 40.800 -0.088 0.000 0.957 419 D HN 0.183 nan 8.370 nan 0.000 0.484 420 L N 0.123 121.248 121.223 -0.163 0.000 2.434 420 L HA 0.444 4.783 4.340 -0.001 0.000 0.260 420 L C -1.736 175.008 176.870 -0.211 0.000 0.983 420 L CA -0.631 54.100 54.840 -0.181 0.000 0.820 420 L CB 2.628 44.609 42.059 -0.130 0.000 1.361 420 L HN -0.257 nan 8.230 nan 0.000 0.410 421 I N 2.529 122.943 120.570 -0.260 0.000 2.509 421 I HA 0.682 4.851 4.170 -0.001 0.000 0.293 421 I C -0.013 175.735 176.117 -0.615 0.000 1.020 421 I CA -0.643 60.444 61.300 -0.356 0.000 1.088 421 I CB 2.207 39.993 38.000 -0.356 0.000 1.267 421 I HN 0.753 nan 8.210 nan 0.000 0.430 422 G N 3.052 111.567 108.800 -0.474 0.000 2.675 422 G HA2 0.601 4.560 3.960 -0.001 0.000 0.297 422 G HA3 0.601 4.560 3.960 -0.001 0.000 0.297 422 G C -0.913 173.786 174.900 -0.336 0.000 1.399 422 G CA -0.162 44.671 45.100 -0.445 0.000 0.981 422 G HN 0.568 nan 8.290 nan 0.000 0.519 423 S N 0.867 116.308 115.700 -0.431 0.000 3.003 423 S HA 0.843 5.312 4.470 -0.001 0.000 0.313 423 S C 0.542 175.389 174.600 0.411 0.000 1.230 423 S CA 0.196 58.449 58.200 0.088 0.000 0.977 423 S CB 0.619 63.953 63.200 0.223 0.000 1.340 423 S HN 1.091 nan 8.310 nan 0.000 0.608 424 G N 0.677 109.771 108.800 0.489 0.000 2.537 424 G HA2 0.474 4.433 3.960 -0.001 0.000 0.297 424 G HA3 0.474 4.433 3.960 -0.001 0.000 0.297 424 G C 0.682 175.676 174.900 0.157 0.000 1.310 424 G CA -0.216 45.077 45.100 0.322 0.000 1.027 424 G HN 0.623 nan 8.290 nan 0.000 0.505 425 I N -0.562 120.008 120.570 0.001 0.000 2.361 425 I HA -0.074 4.095 4.170 -0.001 0.000 0.251 425 I C 2.515 178.568 176.117 -0.106 0.000 1.133 425 I CA 1.537 62.792 61.300 -0.074 0.000 1.413 425 I CB -0.107 37.899 38.000 0.010 0.000 1.073 425 I HN 0.516 nan 8.210 nan 0.000 0.424 426 K N 0.009 120.387 120.400 -0.036 0.000 2.057 426 K HA -0.167 4.152 4.320 -0.001 0.000 0.206 426 K C 1.958 178.508 176.600 -0.084 0.000 1.050 426 K CA 1.589 57.866 56.287 -0.016 0.000 0.935 426 K CB -0.150 32.361 32.500 0.020 0.000 0.715 426 K HN 0.283 nan 8.250 nan 0.000 0.439 427 E N 1.166 121.313 120.200 -0.088 0.000 2.072 427 E HA -0.125 4.224 4.350 -0.001 0.000 0.190 427 E C 1.747 178.057 176.600 -0.483 0.000 0.982 427 E CA 0.949 57.272 56.400 -0.129 0.000 0.803 427 E CB -0.028 29.788 29.700 0.194 0.000 0.755 427 E HN 0.157 nan 8.360 nan 0.000 0.453 428 K N 0.001 119.812 120.400 -0.982 0.000 2.032 428 K HA -0.235 4.085 4.320 -0.001 0.000 0.218 428 K C 1.636 177.637 176.600 -0.999 0.000 1.054 428 K CA 1.928 57.181 56.287 -1.722 0.000 0.941 428 K CB -0.308 31.330 32.500 -1.437 0.000 0.720 428 K HN 0.104 nan 8.250 nan 0.000 0.449 429 F N 0.685 120.436 119.950 -0.332 0.000 2.407 429 F HA -0.026 4.500 4.527 -0.002 0.000 0.299 429 F C 2.049 177.726 175.800 -0.205 0.000 1.097 429 F CA 0.588 58.475 58.000 -0.188 0.000 1.422 429 F CB -0.312 38.617 39.000 -0.119 0.000 1.067 429 F HN 0.041 nan 8.300 nan 0.000 0.539 430 I N -1.149 119.286 120.570 -0.224 0.000 2.202 430 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 430 I C 2.084 177.958 176.117 -0.405 0.000 1.091 430 I CA 1.310 62.387 61.300 -0.372 0.000 1.368 430 I CB -0.492 37.121 38.000 -0.645 0.000 1.058 430 I HN -0.041 nan 8.210 nan 0.000 0.410 431 F N 0.846 120.750 119.950 -0.077 0.000 2.234 431 F HA -0.151 4.374 4.527 -0.002 0.000 0.299 431 F C 2.620 178.450 175.800 0.050 0.000 1.087 431 F CA 1.047 59.047 58.000 -0.000 0.000 1.340 431 F CB -0.845 38.204 39.000 0.080 0.000 1.031 431 F HN 0.089 nan 8.300 nan 0.000 0.500 432 Q N 0.230 120.162 119.800 0.219 0.000 2.119 432 Q HA -0.177 4.162 4.340 -0.001 0.000 0.201 432 Q C 2.046 178.259 176.000 0.355 0.000 0.972 432 Q CA 1.230 57.275 55.803 0.403 0.000 0.847 432 Q CB -0.192 28.811 28.738 0.442 0.000 0.903 432 Q HN 0.418 nan 8.270 nan 0.000 0.433 433 K N 0.131 120.649 120.400 0.197 0.000 2.148 433 K HA -0.038 4.282 4.320 -0.001 0.000 0.204 433 K C 1.816 178.495 176.600 0.133 0.000 1.050 433 K CA 0.933 57.304 56.287 0.141 0.000 0.942 433 K CB 0.035 32.575 32.500 0.067 0.000 0.724 433 K HN 0.225 nan 8.250 nan 0.000 0.446 434 M N -0.506 119.173 119.600 0.132 0.000 2.562 434 M HA 0.018 4.497 4.480 -0.001 0.000 0.257 434 M C 0.787 177.167 176.300 0.133 0.000 1.099 434 M CA 0.888 56.263 55.300 0.124 0.000 1.099 434 M CB 0.407 33.105 32.600 0.164 0.000 1.427 434 M HN 0.430 nan 8.290 nan 0.000 0.489 435 G N 1.810 110.722 108.800 0.187 0.000 2.132 435 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.228 435 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.228 435 G C -0.111 174.712 174.900 -0.127 0.000 1.000 435 G CA -0.396 44.819 45.100 0.191 0.000 0.693 435 G HN 0.448 nan 8.290 nan 0.000 0.515 436 I N 0.961 121.409 120.570 -0.202 0.000 2.378 436 I HA 0.334 4.503 4.170 -0.001 0.000 0.291 436 I C -2.122 173.585 176.117 -0.683 0.000 0.992 436 I CA -2.683 58.394 61.300 -0.373 0.000 1.154 436 I CB 2.087 40.031 38.000 -0.094 0.000 1.315 436 I HN -0.178 nan 8.210 nan 0.000 0.448 437 P HA 0.029 nan 4.420 nan 0.000 0.265 437 P C -1.121 176.109 177.300 -0.116 0.000 1.193 437 P CA 0.328 62.970 63.100 -0.764 0.000 0.765 437 P CB 0.298 31.655 31.700 -0.571 0.000 0.823 438 F N 3.526 123.467 119.950 -0.015 0.000 2.591 438 F HA 0.551 5.077 4.527 -0.002 0.000 0.309 438 F C -0.865 174.995 175.800 0.100 0.000 1.098 438 F CA -0.834 57.187 58.000 0.036 0.000 0.937 438 F CB 1.683 40.730 39.000 0.078 0.000 1.250 438 F HN 0.059 nan 8.300 nan 0.000 0.447 439 R N 3.735 124.117 120.500 -0.197 0.000 2.561 439 R HA 0.294 4.633 4.340 -0.001 0.000 0.297 439 R C -1.046 175.252 176.300 -0.004 0.000 0.969 439 R CA -0.877 55.256 56.100 0.055 0.000 0.879 439 R CB 1.948 32.286 30.300 0.064 0.000 1.178 439 R HN 0.773 nan 8.270 nan 0.000 0.445 440 E N 2.910 123.254 120.200 0.240 0.000 2.290 440 E HA 0.092 4.442 4.350 -0.001 0.000 0.277 440 E C 0.631 177.377 176.600 0.243 0.000 1.035 440 E CA -0.005 56.549 56.400 0.256 0.000 0.873 440 E CB 0.804 30.585 29.700 0.136 0.000 1.029 440 E HN 0.203 nan 8.360 nan 0.000 0.419 441 M N 2.337 122.052 119.600 0.192 0.000 2.371 441 M HA 0.054 4.533 4.480 -0.001 0.000 0.246 441 M C 0.909 177.097 176.300 -0.188 0.000 1.103 441 M CA 0.606 56.041 55.300 0.226 0.000 1.010 441 M CB -0.263 32.432 32.600 0.158 0.000 1.457 441 M HN 0.571 nan 8.290 nan 0.000 0.486 442 H N -1.039 117.887 119.070 -0.241 0.000 2.393 442 H HA 0.167 4.722 4.556 -0.002 0.000 0.307 442 H C 1.854 176.822 175.328 -0.600 0.000 1.038 442 H CA 1.548 57.358 56.048 -0.396 0.000 1.351 442 H CB 0.304 29.949 29.762 -0.195 0.000 1.464 442 H HN 0.351 nan 8.280 nan 0.000 0.575 443 S N -0.634 114.931 115.700 -0.225 0.000 2.548 443 S HA -0.078 4.391 4.470 -0.001 0.000 0.215 443 S C 0.307 174.772 174.600 -0.225 0.000 0.976 443 S CA -0.324 57.703 58.200 -0.289 0.000 0.908 443 S CB -0.626 62.456 63.200 -0.197 0.000 0.781 443 S HN 0.644 nan 8.310 nan 0.000 0.519 444 W N 1.578 122.764 121.300 -0.190 0.000 4.141 444 W HA -0.189 4.469 4.660 -0.003 0.000 0.336 444 W C -0.238 176.138 176.519 -0.237 0.000 1.258 444 W CA -0.017 57.158 57.345 -0.285 0.000 0.747 444 W CB -2.471 26.640 29.460 -0.583 0.000 2.338 444 W HN 0.302 nan 8.180 nan 0.000 1.410 445 D N -0.646 119.670 120.400 -0.140 0.000 2.701 445 D HA -0.255 4.384 4.640 -0.001 0.000 0.235 445 D C 0.210 176.264 176.300 -0.411 0.000 1.155 445 D CA 2.300 56.055 54.000 -0.408 0.000 0.649 445 D CB -1.244 39.549 40.800 -0.010 0.000 1.050 445 D HN 0.612 nan 8.370 nan 0.000 0.425 446 Y N -3.180 117.219 120.300 0.165 0.000 4.177 446 Y HA -0.291 4.258 4.550 -0.002 0.000 0.227 446 Y C 1.090 177.081 175.900 0.153 0.000 1.154 446 Y CA 0.967 59.156 58.100 0.149 0.000 1.887 446 Y CB -2.246 36.301 38.460 0.144 0.000 1.594 446 Y HN 0.204 nan 8.280 nan 0.000 0.668 447 S N -0.996 114.807 115.700 0.173 0.000 3.012 447 S HA 0.884 5.353 4.470 -0.001 0.000 0.254 447 S C 0.754 175.392 174.600 0.062 0.000 1.030 447 S CA 0.557 58.847 58.200 0.150 0.000 1.053 447 S CB 1.496 64.792 63.200 0.160 0.000 1.286 447 S HN 1.827 nan 8.310 nan 0.000 0.633 448 G N 0.951 109.740 108.800 -0.018 0.000 2.757 448 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.638 448 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.638 448 G C -3.090 171.848 174.900 0.062 0.000 1.344 448 G CA -0.396 44.616 45.100 -0.146 0.000 0.855 448 G HN 0.684 nan 8.290 nan 0.000 0.537 449 P HA 0.327 nan 4.420 nan 0.000 0.272 449 P C -0.317 177.039 177.300 0.093 0.000 1.240 449 P CA 0.041 63.155 63.100 0.023 0.000 0.791 449 P CB 0.553 32.299 31.700 0.076 0.000 0.978 450 Y N -1.931 118.238 120.300 -0.218 0.000 2.430 450 Y HA 0.178 4.727 4.550 -0.002 0.000 0.248 450 Y C 1.010 176.808 175.900 -0.171 0.000 1.108 450 Y CA -0.296 57.641 58.100 -0.272 0.000 1.264 450 Y CB -1.017 37.062 38.460 -0.635 0.000 1.172 450 Y HN 0.398 nan 8.280 nan 0.000 0.520 451 H N 0.384 119.356 119.070 -0.164 0.000 2.764 451 H HA 0.449 5.004 4.556 -0.001 0.000 0.341 451 H C 1.034 176.231 175.328 -0.217 0.000 1.072 451 H CA 0.873 56.742 56.048 -0.299 0.000 1.444 451 H CB 0.357 29.989 29.762 -0.216 0.000 1.458 451 H HN 0.451 nan 8.280 nan 0.000 0.572 452 G N 1.778 110.387 108.800 -0.319 0.000 2.693 452 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.226 452 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.226 452 G C 0.518 175.157 174.900 -0.436 0.000 1.354 452 G CA 0.118 44.865 45.100 -0.589 0.000 0.873 452 G HN 0.442 nan 8.290 nan 0.000 0.562 453 F N 0.346 120.096 119.950 -0.334 0.000 2.146 453 F HA 0.088 4.613 4.527 -0.003 0.000 0.298 453 F C 2.585 178.392 175.800 0.011 0.000 1.096 453 F CA 1.946 59.834 58.000 -0.187 0.000 1.275 453 F CB -0.573 38.179 39.000 -0.414 0.000 1.008 453 F HN 0.411 nan 8.300 nan 0.000 0.480 454 D N -0.290 120.195 120.400 0.142 0.000 2.117 454 D HA -0.076 4.563 4.640 -0.001 0.000 0.198 454 D C 2.553 178.950 176.300 0.161 0.000 0.982 454 D CA 1.451 55.555 54.000 0.174 0.000 0.828 454 D CB -0.912 39.979 40.800 0.152 0.000 0.967 454 D HN 0.270 nan 8.370 nan 0.000 0.464 455 G N -0.183 108.695 108.800 0.130 0.000 2.443 455 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.219 455 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.219 455 G C 1.379 176.375 174.900 0.160 0.000 1.131 455 G CA 0.111 45.300 45.100 0.149 0.000 0.775 455 G HN 0.203 nan 8.290 nan 0.000 0.547 456 F N 2.613 122.563 119.950 0.000 0.000 2.171 456 F HA 0.035 4.561 4.527 -0.002 0.000 0.300 456 F C 2.641 178.481 175.800 0.066 0.000 1.090 456 F CA 0.795 58.797 58.000 0.004 0.000 1.293 456 F CB -0.408 38.601 39.000 0.015 0.000 1.013 456 F HN 0.225 nan 8.300 nan 0.000 0.486 457 A N 0.616 123.420 122.820 -0.028 0.000 1.902 457 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 457 A C 2.340 179.819 177.584 -0.176 0.000 1.181 457 A CA 1.960 53.930 52.037 -0.111 0.000 0.623 457 A CB -1.156 17.886 19.000 0.070 0.000 0.818 457 A HN 0.452 nan 8.150 nan 0.000 0.443 458 I N -1.907 118.629 120.570 -0.056 0.000 2.315 458 I HA -0.188 3.981 4.170 -0.001 0.000 0.248 458 I C 2.312 178.314 176.117 -0.193 0.000 1.117 458 I CA 1.254 62.536 61.300 -0.030 0.000 1.404 458 I CB -0.318 37.766 38.000 0.140 0.000 1.071 458 I HN 0.428 nan 8.210 nan 0.000 0.419 459 F N 1.987 121.617 119.950 -0.533 0.000 2.134 459 F HA -0.226 4.300 4.527 -0.002 0.000 0.299 459 F C 2.443 177.771 175.800 -0.788 0.000 1.097 459 F CA 1.425 58.805 58.000 -1.034 0.000 1.264 459 F CB -0.381 38.034 39.000 -0.975 0.000 1.001 459 F HN 0.001 nan 8.300 nan 0.000 0.479 460 A N 0.610 122.926 122.820 -0.839 0.000 1.873 460 A HA -0.166 4.153 4.320 -0.001 0.000 0.215 460 A C 2.461 179.371 177.584 -1.123 0.000 1.186 460 A CA 1.548 53.007 52.037 -0.965 0.000 0.616 460 A CB -0.860 17.609 19.000 -0.886 0.000 0.823 460 A HN 0.433 nan 8.150 nan 0.000 0.442 461 R N -0.418 119.452 120.500 -1.050 0.000 2.081 461 R HA -0.161 4.178 4.340 -0.001 0.000 0.235 461 R C 1.305 177.330 176.300 -0.459 0.000 1.131 461 R CA 1.840 57.427 56.100 -0.855 0.000 0.960 461 R CB -0.345 29.711 30.300 -0.407 0.000 0.856 461 R HN 0.454 nan 8.270 nan 0.000 0.436 462 D N 0.078 120.242 120.400 -0.394 0.000 2.117 462 D HA -0.151 4.488 4.640 -0.001 0.000 0.198 462 D C 1.974 178.116 176.300 -0.263 0.000 0.982 462 D CA 1.060 54.926 54.000 -0.222 0.000 0.828 462 D CB -0.060 40.692 40.800 -0.079 0.000 0.967 462 D HN 0.183 nan 8.370 nan 0.000 0.464 463 M N 0.446 119.745 119.600 -0.501 0.000 2.117 463 M HA -0.130 4.349 4.480 -0.001 0.000 0.262 463 M C 1.881 178.056 176.300 -0.209 0.000 1.065 463 M CA 1.237 56.296 55.300 -0.401 0.000 1.114 463 M CB -0.955 31.259 32.600 -0.644 0.000 1.361 463 M HN 0.001 nan 8.290 nan 0.000 0.408 464 D N 0.520 120.776 120.400 -0.239 0.000 2.117 464 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 464 D C 2.156 178.462 176.300 0.010 0.000 0.982 464 D CA 1.644 55.598 54.000 -0.076 0.000 0.828 464 D CB -0.083 40.709 40.800 -0.014 0.000 0.967 464 D HN 0.436 nan 8.370 nan 0.000 0.464 465 M N -0.951 118.642 119.600 -0.011 0.000 2.117 465 M HA -0.093 4.386 4.480 -0.001 0.000 0.262 465 M C 1.932 178.301 176.300 0.115 0.000 1.065 465 M CA 1.828 57.161 55.300 0.056 0.000 1.114 465 M CB -0.739 31.886 32.600 0.042 0.000 1.361 465 M HN -0.187 nan 8.290 nan 0.000 0.408 466 T N 1.616 116.243 114.554 0.122 0.000 2.770 466 T HA -0.014 4.335 4.350 -0.001 0.000 0.263 466 T C 1.851 176.765 174.700 0.357 0.000 1.039 466 T CA 1.645 63.901 62.100 0.260 0.000 1.142 466 T CB -0.328 68.674 68.868 0.223 0.000 0.868 466 T HN 0.474 nan 8.240 nan 0.000 0.435 467 L N 1.179 122.494 121.223 0.154 0.000 2.056 467 L HA -0.011 4.328 4.340 -0.001 0.000 0.207 467 L C 1.609 178.574 176.870 0.160 0.000 1.078 467 L CA 1.407 56.291 54.840 0.073 0.000 0.749 467 L CB -0.179 41.880 42.059 0.000 0.000 0.901 467 L HN 0.150 nan 8.230 nan 0.000 0.433 468 N N 0.334 119.131 118.700 0.163 0.000 2.322 468 N HA -0.025 4.714 4.740 -0.001 0.000 0.194 468 N C 0.006 175.631 175.510 0.191 0.000 1.126 468 N CA 0.043 53.190 53.050 0.160 0.000 0.845 468 N CB -0.409 38.141 38.487 0.105 0.000 0.976 468 N HN 0.395 nan 8.380 nan 0.000 0.475 469 N N 1.905 120.765 118.700 0.266 0.000 2.479 469 N HA 0.021 4.761 4.740 -0.001 0.000 0.257 469 N C -1.668 173.894 175.510 0.087 0.000 1.232 469 N CA -1.001 52.132 53.050 0.138 0.000 0.920 469 N CB 1.647 40.163 38.487 0.050 0.000 1.105 469 N HN -0.074 nan 8.380 nan 0.000 0.444 470 P HA -0.023 nan 4.420 nan 0.000 0.223 470 P C 1.456 178.715 177.300 -0.068 0.000 1.151 470 P CA 0.655 63.754 63.100 -0.003 0.000 0.787 470 P CB -0.058 31.637 31.700 -0.008 0.000 0.788 471 C N -3.008 116.158 119.300 -0.223 0.000 2.419 471 C HA -0.043 4.416 4.460 -0.001 0.000 0.281 471 C C 2.290 177.105 174.990 -0.292 0.000 1.336 471 C CA -0.259 58.559 59.018 -0.335 0.000 1.770 471 C CB -2.281 25.134 27.740 -0.543 0.000 1.929 471 C HN 0.265 nan 8.230 nan 0.000 0.509 472 W N 1.442 122.764 121.300 0.037 0.000 2.465 472 W HA 0.055 4.714 4.660 -0.002 0.000 0.268 472 W C 2.226 178.758 176.519 0.022 0.000 1.242 472 W CA 0.213 57.579 57.345 0.036 0.000 1.248 472 W CB -0.197 29.288 29.460 0.043 0.000 1.118 472 W HN 0.179 nan 8.180 nan 0.000 0.587 473 K N 0.403 120.917 120.400 0.191 0.000 2.444 473 K HA 0.039 4.358 4.320 -0.001 0.000 0.193 473 K C 1.120 177.756 176.600 0.060 0.000 1.024 473 K CA 0.640 56.997 56.287 0.117 0.000 1.077 473 K CB -0.038 32.512 32.500 0.084 0.000 0.833 473 K HN 0.063 nan 8.250 nan 0.000 0.517 474 K N 0.577 121.001 120.400 0.039 0.000 2.372 474 K HA 0.169 4.488 4.320 -0.001 0.000 0.200 474 K C 1.493 178.084 176.600 -0.014 0.000 1.022 474 K CA -0.095 56.188 56.287 -0.007 0.000 1.125 474 K CB 0.165 32.645 32.500 -0.033 0.000 0.855 474 K HN -0.014 nan 8.250 nan 0.000 0.524 475 L N 0.930 122.173 121.223 0.034 0.000 2.046 475 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 475 L C 1.409 178.255 176.870 -0.040 0.000 1.077 475 L CA 1.588 56.443 54.840 0.025 0.000 0.747 475 L CB -0.310 41.807 42.059 0.095 0.000 0.896 475 L HN 0.244 nan 8.230 nan 0.000 0.432 476 Q N 0.235 119.999 119.800 -0.059 0.000 2.267 476 Q HA 0.463 4.803 4.340 -0.001 0.000 0.255 476 Q C -0.359 175.493 176.000 -0.246 0.000 0.923 476 Q CA -0.431 55.297 55.803 -0.125 0.000 0.925 476 Q CB 1.253 29.938 28.738 -0.089 0.000 1.195 476 Q HN 0.297 nan 8.270 nan 0.000 0.417 477 A N 5.290 127.856 122.820 -0.424 0.000 2.425 477 A HA 0.246 4.565 4.320 -0.001 0.000 0.249 477 A C -1.929 175.253 177.584 -0.671 0.000 1.084 477 A CA -1.201 50.338 52.037 -0.830 0.000 0.781 477 A CB 0.088 18.142 19.000 -1.576 0.000 1.019 477 A HN 0.748 nan 8.150 nan 0.000 0.490 478 P HA -0.100 nan 4.420 nan 0.000 0.220 478 P C 0.798 178.088 177.300 -0.017 0.000 1.148 478 P CA 1.520 64.528 63.100 -0.154 0.000 0.803 478 P CB 0.027 31.723 31.700 -0.006 0.000 0.782 479 W N -1.609 119.701 121.300 0.016 0.000 3.278 479 W HA 0.386 5.045 4.660 -0.002 0.000 0.308 479 W C -0.468 176.060 176.519 0.015 0.000 1.253 479 W CA -0.069 57.284 57.345 0.014 0.000 1.759 479 W CB -0.342 29.125 29.460 0.012 0.000 1.093 479 W HN -0.257 nan 8.180 nan 0.000 0.648 480 E N 0.000 120.066 120.200 -0.223 0.000 2.725 480 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 480 E CA 0.000 56.327 56.400 -0.122 0.000 0.976 480 E CB 0.000 29.733 29.700 0.056 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440