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 3min_1_A DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NXXXXXXXXX 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 0.000 174.592 174.600 -0.014 0.000 1.055 5 S CA 0.000 58.190 58.200 -0.017 0.000 1.107 5 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 6 R N 1.701 122.191 120.500 -0.016 0.000 3.934 6 R HA -0.271 4.044 4.340 -0.042 0.000 0.384 6 R C 1.143 177.437 176.300 -0.010 0.000 0.241 6 R CA 2.738 58.831 56.100 -0.013 0.000 1.241 6 R CB -2.963 27.331 30.300 -0.009 0.000 0.999 6 R HN 1.250 nan 8.270 nan 0.000 0.562 7 E N 2.458 122.655 120.200 -0.005 0.000 2.515 7 E HA -0.110 4.215 4.350 -0.042 0.000 0.201 7 E C 1.564 178.165 176.600 0.002 0.000 1.071 7 E CA 1.759 58.158 56.400 -0.000 0.000 0.880 7 E CB -0.052 29.650 29.700 0.003 0.000 0.828 7 E HN 0.917 nan 8.360 nan 0.000 0.540 8 E N 1.504 121.703 120.200 -0.001 0.000 2.106 8 E HA -0.133 4.192 4.350 -0.042 0.000 0.192 8 E C 2.001 178.601 176.600 0.001 0.000 0.984 8 E CA 1.268 57.669 56.400 0.002 0.000 0.806 8 E CB -0.532 29.167 29.700 -0.001 0.000 0.750 8 E HN 0.110 nan 8.360 nan 0.000 0.458 9 V N 1.312 121.218 119.914 -0.013 0.000 2.379 9 V HA -0.190 3.905 4.120 -0.042 0.000 0.245 9 V C 2.300 178.384 176.094 -0.016 0.000 1.044 9 V CA 2.095 64.376 62.300 -0.032 0.000 1.036 9 V CB -0.613 31.178 31.823 -0.053 0.000 0.664 9 V HN 0.288 nan 8.190 nan 0.000 0.453 10 E N 1.003 121.201 120.200 -0.004 0.000 2.077 10 E HA -0.197 4.128 4.350 -0.042 0.000 0.193 10 E C 2.410 179.029 176.600 0.030 0.000 0.989 10 E CA 1.816 58.223 56.400 0.012 0.000 0.800 10 E CB -0.222 29.484 29.700 0.010 0.000 0.746 10 E HN 0.764 nan 8.360 nan 0.000 0.452 11 S N 1.348 117.065 115.700 0.028 0.000 2.368 11 S HA -0.148 4.297 4.470 -0.042 0.000 0.224 11 S C 2.120 176.753 174.600 0.055 0.000 1.029 11 S CA 0.719 58.941 58.200 0.037 0.000 0.988 11 S CB -0.459 62.758 63.200 0.028 0.000 0.838 11 S HN 0.169 nan 8.310 nan 0.000 0.462 12 L N 2.031 123.288 121.223 0.057 0.000 2.013 12 L HA -0.057 4.258 4.340 -0.042 0.000 0.212 12 L C 2.202 179.165 176.870 0.156 0.000 1.073 12 L CA 1.652 56.549 54.840 0.094 0.000 0.753 12 L CB -0.801 41.309 42.059 0.086 0.000 0.890 12 L HN 0.372 nan 8.230 nan 0.000 0.432 13 I N -0.460 120.199 120.570 0.149 0.000 2.127 13 I HA -0.347 3.798 4.170 -0.042 0.000 0.241 13 I C 2.590 178.811 176.117 0.173 0.000 1.075 13 I CA 1.691 63.120 61.300 0.215 0.000 1.334 13 I CB -0.452 37.630 38.000 0.137 0.000 1.040 13 I HN 0.488 nan 8.210 nan 0.000 0.405 14 Q N 0.798 120.667 119.800 0.116 0.000 2.224 14 Q HA -0.186 4.129 4.340 -0.042 0.000 0.203 14 Q C 1.718 177.771 176.000 0.088 0.000 0.970 14 Q CA 1.364 57.227 55.803 0.101 0.000 0.865 14 Q CB -0.599 28.183 28.738 0.073 0.000 0.922 14 Q HN 0.455 nan 8.270 nan 0.000 0.445 15 E N 0.420 120.667 120.200 0.080 0.000 2.031 15 E HA -0.155 4.170 4.350 -0.042 0.000 0.193 15 E C 1.915 178.549 176.600 0.056 0.000 0.994 15 E CA 1.606 58.041 56.400 0.059 0.000 0.800 15 E CB -0.010 29.721 29.700 0.052 0.000 0.752 15 E HN 0.254 nan 8.360 nan 0.000 0.447 16 V N 1.221 121.172 119.914 0.063 0.000 2.295 16 V HA -0.251 3.844 4.120 -0.042 0.000 0.246 16 V C 2.250 178.372 176.094 0.048 0.000 1.049 16 V CA 1.463 63.773 62.300 0.017 0.000 1.024 16 V CB -0.418 31.355 31.823 -0.082 0.000 0.648 16 V HN 0.310 nan 8.190 nan 0.000 0.447 17 L N -0.250 121.033 121.223 0.100 0.000 2.362 17 L HA -0.125 4.190 4.340 -0.042 0.000 0.219 17 L C 2.485 179.385 176.870 0.049 0.000 1.134 17 L CA 1.024 55.950 54.840 0.143 0.000 0.807 17 L CB -0.677 41.537 42.059 0.257 0.000 0.927 17 L HN 0.426 nan 8.230 nan 0.000 0.447 18 E N -0.243 119.969 120.200 0.020 0.000 2.267 18 E HA -0.224 4.101 4.350 -0.042 0.000 0.197 18 E C 2.191 178.757 176.600 -0.057 0.000 0.998 18 E CA 1.147 57.549 56.400 0.004 0.000 0.830 18 E CB -0.059 29.647 29.700 0.010 0.000 0.751 18 E HN 0.329 nan 8.360 nan 0.000 0.491 19 V N 0.612 120.414 119.914 -0.187 0.000 3.041 19 V HA -0.129 3.966 4.120 -0.042 0.000 0.260 19 V C 0.194 176.152 176.094 -0.226 0.000 1.105 19 V CA 0.700 62.831 62.300 -0.282 0.000 1.125 19 V CB -0.253 31.251 31.823 -0.531 0.000 0.730 19 V HN 0.062 nan 8.190 nan 0.000 0.479 20 Y N 1.236 121.507 120.300 -0.048 0.000 2.346 20 Y HA 0.419 4.944 4.550 -0.042 0.000 0.330 20 Y C -1.555 174.329 175.900 -0.027 0.000 1.178 20 Y CA -3.413 54.660 58.100 -0.044 0.000 1.331 20 Y CB -0.621 37.835 38.460 -0.006 0.000 1.253 20 Y HN 0.153 nan 8.280 nan 0.000 0.529 21 P HA -0.058 nan 4.420 nan 0.000 0.265 21 P C 0.648 177.997 177.300 0.081 0.000 1.187 21 P CA 0.198 63.346 63.100 0.080 0.000 0.766 21 P CB 0.786 32.515 31.700 0.048 0.000 0.820 22 E N 3.508 123.742 120.200 0.056 0.000 2.114 22 E HA -0.274 4.051 4.350 -0.042 0.000 0.199 22 E C 1.685 178.304 176.600 0.031 0.000 1.008 22 E CA 1.832 58.261 56.400 0.049 0.000 0.810 22 E CB -0.291 29.430 29.700 0.035 0.000 0.739 22 E HN 0.421 nan 8.360 nan 0.000 0.456 23 K N -0.641 119.766 120.400 0.012 0.000 2.002 23 K HA -0.143 4.152 4.320 -0.042 0.000 0.209 23 K C 2.055 178.633 176.600 -0.035 0.000 1.048 23 K CA 1.511 57.794 56.287 -0.007 0.000 0.930 23 K CB -0.324 32.169 32.500 -0.012 0.000 0.714 23 K HN 0.159 nan 8.250 nan 0.000 0.438 24 A N 1.511 124.288 122.820 -0.072 0.000 1.902 24 A HA -0.181 4.114 4.320 -0.042 0.000 0.217 24 A C 2.198 179.651 177.584 -0.218 0.000 1.181 24 A CA 1.521 53.433 52.037 -0.209 0.000 0.623 24 A CB -0.628 18.185 19.000 -0.311 0.000 0.818 24 A HN 0.379 nan 8.150 nan 0.000 0.443 25 R N -0.046 120.444 120.500 -0.016 0.000 2.080 25 R HA -0.182 4.132 4.340 -0.042 0.000 0.236 25 R C 2.159 178.508 176.300 0.081 0.000 1.137 25 R CA 2.072 58.254 56.100 0.136 0.000 0.943 25 R CB -0.287 30.124 30.300 0.185 0.000 0.846 25 R HN 0.549 nan 8.270 nan 0.000 0.431 26 K N -0.041 120.389 120.400 0.050 0.000 2.063 26 K HA -0.202 4.093 4.320 -0.042 0.000 0.208 26 K C 1.834 178.466 176.600 0.052 0.000 1.048 26 K CA 1.965 58.281 56.287 0.049 0.000 0.928 26 K CB -0.252 32.269 32.500 0.034 0.000 0.713 26 K HN 0.277 nan 8.250 nan 0.000 0.442 27 D N 0.287 120.702 120.400 0.026 0.000 2.084 27 D HA -0.128 4.487 4.640 -0.042 0.000 0.196 27 D C 1.973 178.349 176.300 0.127 0.000 0.985 27 D CA 1.001 55.036 54.000 0.058 0.000 0.826 27 D CB 0.259 41.049 40.800 -0.016 0.000 0.978 27 D HN -0.072 nan 8.370 nan 0.000 0.456 28 R N 0.595 121.105 120.500 0.016 0.000 2.120 28 R HA -0.115 4.200 4.340 -0.042 0.000 0.234 28 R C 2.093 178.506 176.300 0.189 0.000 1.123 28 R CA 0.727 56.863 56.100 0.060 0.000 0.975 28 R CB -1.439 28.832 30.300 -0.047 0.000 0.866 28 R HN 0.515 nan 8.270 nan 0.000 0.446 29 N N 1.253 120.048 118.700 0.158 0.000 2.137 29 N HA -0.185 4.530 4.740 -0.042 0.000 0.190 29 N C 0.931 176.508 175.510 0.113 0.000 1.017 29 N CA 1.185 54.321 53.050 0.144 0.000 0.859 29 N CB 0.087 38.640 38.487 0.110 0.000 1.002 29 N HN 0.213 nan 8.380 nan 0.000 0.428 30 K N -0.868 119.597 120.400 0.107 0.000 2.504 30 K HA -0.059 4.236 4.320 -0.042 0.000 0.195 30 K C 0.484 177.004 176.600 -0.134 0.000 1.036 30 K CA 0.691 56.972 56.287 -0.009 0.000 0.984 30 K CB 0.088 32.563 32.500 -0.042 0.000 0.788 30 K HN 0.378 nan 8.250 nan 0.000 0.488 31 H N -0.627 118.454 119.070 0.019 0.000 2.594 31 H HA 0.272 4.803 4.556 -0.041 0.000 0.279 31 H C -0.654 174.711 175.328 0.062 0.000 1.042 31 H CA -0.055 56.005 56.048 0.020 0.000 1.177 31 H CB 0.436 30.231 29.762 0.055 0.000 1.524 31 H HN -0.099 nan 8.280 nan 0.000 0.537 32 L N 0.822 122.136 121.223 0.152 0.000 2.376 32 L HA 0.763 5.078 4.340 -0.042 0.000 0.275 32 L C -0.477 176.422 176.870 0.049 0.000 0.987 32 L CA -0.875 54.056 54.840 0.152 0.000 0.828 32 L CB 1.880 44.080 42.059 0.235 0.000 1.249 32 L HN 0.077 nan 8.230 nan 0.000 0.409 33 A N 3.020 125.842 122.820 0.003 0.000 2.569 33 A HA 0.912 5.207 4.320 -0.042 0.000 0.290 33 A C -1.302 176.259 177.584 -0.039 0.000 1.136 33 A CA -0.567 51.454 52.037 -0.028 0.000 0.710 33 A CB 2.090 21.055 19.000 -0.058 0.000 1.303 33 A HN 0.304 nan 8.150 nan 0.000 0.413 34 V N 1.342 121.234 119.914 -0.037 0.000 2.513 34 V HA 0.337 4.432 4.120 -0.042 0.000 0.299 34 V C 0.479 176.553 176.094 -0.033 0.000 1.035 34 V CA -0.690 61.585 62.300 -0.042 0.000 0.889 34 V CB 1.453 33.255 31.823 -0.035 0.000 0.988 34 V HN 0.995 nan 8.190 nan 0.000 0.440 46 I N 1.018 121.486 120.570 -0.171 0.000 2.827 46 I HA 0.746 4.891 4.170 -0.042 0.000 0.298 46 I C -1.842 174.085 176.117 -0.316 0.000 1.235 46 I CA -0.912 60.223 61.300 -0.275 0.000 1.021 46 I CB 1.944 39.702 38.000 -0.404 0.000 1.259 46 I HN 0.105 nan 8.210 nan 0.000 0.427 47 I N 5.643 125.978 120.570 -0.391 0.000 2.441 47 I HA 0.517 4.662 4.170 -0.042 0.000 0.295 47 I C -0.153 175.696 176.117 -0.447 0.000 0.994 47 I CA 0.320 61.399 61.300 -0.367 0.000 1.144 47 I CB 1.910 39.707 38.000 -0.338 0.000 1.314 47 I HN 0.660 nan 8.210 nan 0.000 0.445 48 S N 4.298 119.878 115.700 -0.199 0.000 2.740 48 S HA 0.489 4.934 4.470 -0.042 0.000 0.300 48 S C 0.100 174.733 174.600 0.055 0.000 1.147 48 S CA -0.731 57.463 58.200 -0.010 0.000 0.871 48 S CB 1.298 64.553 63.200 0.091 0.000 1.173 48 S HN 0.784 nan 8.310 nan 0.000 0.510 49 N N 0.451 119.216 118.700 0.109 0.000 2.727 49 N HA -0.148 4.567 4.740 -0.042 0.000 0.249 49 N C -0.885 174.636 175.510 0.017 0.000 1.048 49 N CA 0.485 53.536 53.050 0.003 0.000 0.714 49 N CB -0.589 37.709 38.487 -0.315 0.000 0.959 49 N HN 0.502 nan 8.380 nan 0.000 0.544 50 K N 1.029 121.499 120.400 0.117 0.000 2.211 50 K HA 0.301 4.596 4.320 -0.042 0.000 0.237 50 K C 0.287 176.931 176.600 0.074 0.000 1.002 50 K CA -0.597 55.754 56.287 0.106 0.000 0.885 50 K CB 1.142 33.761 32.500 0.198 0.000 1.136 50 K HN 0.327 nan 8.250 nan 0.000 0.448 51 K N -0.219 120.207 120.400 0.042 0.000 2.230 51 K HA 0.195 4.490 4.320 -0.042 0.000 0.253 51 K C -0.266 176.327 176.600 -0.011 0.000 1.008 51 K CA -0.206 56.095 56.287 0.024 0.000 0.910 51 K CB 0.373 32.884 32.500 0.018 0.000 0.994 51 K HN 0.254 nan 8.250 nan 0.000 0.495 52 S N 1.516 117.213 115.700 -0.005 0.000 2.586 52 S HA 0.094 4.539 4.470 -0.042 0.000 0.274 52 S C -0.445 174.129 174.600 -0.043 0.000 1.281 52 S CA -0.952 57.230 58.200 -0.031 0.000 1.035 52 S CB 1.102 64.309 63.200 0.012 0.000 0.962 52 S HN 0.472 nan 8.310 nan 0.000 0.512 53 Q N 1.982 121.734 119.800 -0.080 0.000 2.304 53 Q HA 0.267 4.582 4.340 -0.042 0.000 0.260 53 Q C -2.286 173.683 176.000 -0.051 0.000 0.965 53 Q CA -1.774 53.980 55.803 -0.082 0.000 0.898 53 Q CB 0.013 28.664 28.738 -0.145 0.000 1.196 53 Q HN 0.365 nan 8.270 nan 0.000 0.402 54 P HA 0.032 nan 4.420 nan 0.000 0.266 54 P C 0.508 177.800 177.300 -0.014 0.000 1.195 54 P CA 0.572 63.663 63.100 -0.015 0.000 0.768 54 P CB 0.455 32.148 31.700 -0.012 0.000 0.838 55 G N 1.751 110.551 108.800 0.000 0.000 2.155 55 G HA2 -0.264 3.670 3.960 -0.042 0.000 0.257 55 G HA3 -0.264 3.670 3.960 -0.042 0.000 0.257 55 G C 0.438 175.349 174.900 0.019 0.000 0.983 55 G CA 0.085 45.190 45.100 0.007 0.000 0.676 55 G HN 0.516 nan 8.290 nan 0.000 0.528 56 L N -0.601 120.635 121.223 0.021 0.000 2.769 56 L HA 0.486 4.801 4.340 -0.042 0.000 0.240 56 L C 1.456 178.373 176.870 0.078 0.000 1.163 56 L CA 0.111 54.983 54.840 0.054 0.000 0.962 56 L CB 0.149 42.218 42.059 0.016 0.000 1.258 56 L HN 0.412 nan 8.230 nan 0.000 0.513 57 M N 1.330 120.968 119.600 0.063 0.000 2.632 57 M HA -0.188 4.267 4.480 -0.042 0.000 0.184 57 M C 0.435 176.793 176.300 0.096 0.000 0.976 57 M CA 0.370 55.715 55.300 0.075 0.000 0.612 57 M CB -0.604 32.042 32.600 0.078 0.000 1.181 57 M HN 0.348 nan 8.290 nan 0.000 0.840 58 T N -0.012 114.597 114.554 0.092 0.000 2.856 58 T HA 0.328 4.653 4.350 -0.042 0.000 0.306 58 T C 1.040 175.835 174.700 0.158 0.000 1.062 58 T CA -0.006 62.168 62.100 0.123 0.000 1.083 58 T CB 0.530 69.465 68.868 0.112 0.000 0.984 58 T HN 0.484 nan 8.240 nan 0.000 0.542 59 I N 1.812 122.519 120.570 0.229 0.000 3.860 59 I HA 0.169 4.314 4.170 -0.042 0.000 0.319 59 I C 1.647 177.919 176.117 0.257 0.000 1.279 59 I CA -0.075 61.390 61.300 0.275 0.000 1.220 59 I CB -0.010 38.255 38.000 0.441 0.000 1.027 59 I HN 0.475 nan 8.210 nan 0.000 0.428 60 R N 1.019 121.666 120.500 0.245 0.000 2.784 60 R HA 0.241 4.556 4.340 -0.042 0.000 0.266 60 R C 0.510 176.909 176.300 0.165 0.000 1.044 60 R CA 0.350 56.591 56.100 0.235 0.000 1.151 60 R CB 0.406 30.834 30.300 0.214 0.000 1.037 60 R HN 0.180 nan 8.270 nan 0.000 0.478 61 G N -0.079 108.809 108.800 0.146 0.000 2.971 61 G HA2 0.474 4.409 3.960 -0.042 0.000 0.235 61 G HA3 0.474 4.409 3.960 -0.042 0.000 0.235 61 G C -0.658 174.268 174.900 0.043 0.000 1.351 61 G CA -0.575 44.578 45.100 0.089 0.000 1.039 61 G HN 0.825 nan 8.290 nan 0.000 0.563 62 C N -2.962 116.353 119.300 0.025 0.000 2.668 62 C HA 0.823 5.258 4.460 -0.042 0.000 0.355 62 C C 2.085 177.036 174.990 -0.064 0.000 1.277 62 C CA 0.162 59.177 59.018 -0.005 0.000 1.787 62 C CB 1.231 28.989 27.740 0.030 0.000 2.233 62 C HN 1.127 nan 8.230 nan 0.000 0.495 63 A N -0.318 122.446 122.820 -0.093 0.000 1.978 63 A HA -0.137 4.157 4.320 -0.042 0.000 0.220 63 A C 1.873 179.397 177.584 -0.101 0.000 1.170 63 A CA 2.104 54.055 52.037 -0.142 0.000 0.636 63 A CB -1.139 17.765 19.000 -0.160 0.000 0.810 63 A HN 1.237 nan 8.150 nan 0.000 0.448 64 Y N 0.520 120.732 120.300 -0.147 0.000 2.181 64 Y HA -0.062 4.476 4.550 -0.020 0.000 0.288 64 Y C 2.553 178.402 175.900 -0.086 0.000 1.146 64 Y CA 1.235 59.266 58.100 -0.114 0.000 1.164 64 Y CB -0.490 37.909 38.460 -0.102 0.000 0.982 64 Y HN 0.305 nan 8.280 nan 0.000 0.515 65 A N 0.365 123.150 122.820 -0.058 0.000 1.883 65 A HA -0.126 4.169 4.320 -0.042 0.000 0.217 65 A C 2.459 179.920 177.584 -0.206 0.000 1.186 65 A CA 1.839 53.805 52.037 -0.119 0.000 0.624 65 A CB -1.737 17.256 19.000 -0.012 0.000 0.822 65 A HN 0.606 nan 8.150 nan 0.000 0.444 66 G N -1.444 107.216 108.800 -0.234 0.000 2.422 66 G HA2 -0.088 3.847 3.960 -0.042 0.000 0.218 66 G HA3 -0.088 3.847 3.960 -0.042 0.000 0.218 66 G C 1.875 176.707 174.900 -0.114 0.000 1.140 66 G CA 1.497 46.445 45.100 -0.253 0.000 0.775 66 G HN 0.561 nan 8.290 nan 0.000 0.545 67 S N -0.621 114.989 115.700 -0.149 0.000 2.355 67 S HA 0.045 4.490 4.470 -0.042 0.000 0.216 67 S C 2.245 176.800 174.600 -0.076 0.000 1.037 67 S CA 1.333 59.511 58.200 -0.038 0.000 0.955 67 S CB -0.206 62.956 63.200 -0.063 0.000 0.877 67 S HN 0.219 nan 8.310 nan 0.000 0.488 68 K N 0.727 120.918 120.400 -0.349 0.000 2.021 68 K HA 0.030 4.325 4.320 -0.042 0.000 0.205 68 K C 2.164 178.579 176.600 -0.308 0.000 1.047 68 K CA 1.511 57.556 56.287 -0.403 0.000 0.943 68 K CB -1.229 30.785 32.500 -0.809 0.000 0.725 68 K HN 0.415 nan 8.250 nan 0.000 0.439 69 G N 1.017 109.603 108.800 -0.356 0.000 2.421 69 G HA2 -0.210 3.725 3.960 -0.042 0.000 0.216 69 G HA3 -0.210 3.725 3.960 -0.042 0.000 0.216 69 G C 1.542 176.350 174.900 -0.153 0.000 1.171 69 G CA 1.495 46.479 45.100 -0.192 0.000 0.775 69 G HN 0.345 nan 8.290 nan 0.000 0.543 70 V N -2.077 117.729 119.914 -0.181 0.000 2.788 70 V HA 0.185 4.280 4.120 -0.042 0.000 0.241 70 V C 2.441 178.384 176.094 -0.251 0.000 1.083 70 V CA 1.261 63.394 62.300 -0.277 0.000 1.103 70 V CB -0.008 31.605 31.823 -0.350 0.000 0.800 70 V HN 0.093 nan 8.190 nan 0.000 0.476 71 V N -0.697 119.152 119.914 -0.107 0.000 2.341 71 V HA 0.035 4.130 4.120 -0.042 0.000 0.240 71 V C 2.234 178.212 176.094 -0.193 0.000 1.035 71 V CA 2.179 64.447 62.300 -0.053 0.000 1.033 71 V CB -0.597 31.186 31.823 -0.066 0.000 0.678 71 V HN 0.627 nan 8.190 nan 0.000 0.464 72 W N 0.770 121.941 121.300 -0.215 0.000 2.443 72 W HA 0.167 4.804 4.660 -0.039 0.000 0.296 72 W C 2.548 178.664 176.519 -0.672 0.000 1.202 72 W CA 1.185 58.287 57.345 -0.406 0.000 1.312 72 W CB -1.077 28.104 29.460 -0.464 0.000 1.120 72 W HN 0.288 nan 8.180 nan 0.000 0.536 73 G N 1.253 109.859 108.800 -0.323 0.000 2.547 73 G HA2 -0.291 3.644 3.960 -0.042 0.000 0.221 73 G HA3 -0.291 3.644 3.960 -0.042 0.000 0.221 73 G C -0.852 174.027 174.900 -0.036 0.000 1.140 73 G CA 1.365 46.339 45.100 -0.211 0.000 0.760 73 G HN 0.165 nan 8.290 nan 0.000 0.583 74 P HA 0.033 nan 4.420 nan 0.000 0.222 74 P C 0.612 177.927 177.300 0.026 0.000 1.147 74 P CA 0.469 63.589 63.100 0.033 0.000 0.790 74 P CB 0.036 31.787 31.700 0.084 0.000 0.780 75 I N 0.577 121.181 120.570 0.057 0.000 2.494 75 I HA -0.034 4.111 4.170 -0.042 0.000 0.289 75 I C 1.923 178.133 176.117 0.155 0.000 1.106 75 I CA 0.103 61.455 61.300 0.086 0.000 1.369 75 I CB 0.340 38.404 38.000 0.106 0.000 1.410 75 I HN -0.057 nan 8.210 nan 0.000 0.523 76 K N 4.713 125.130 120.400 0.029 0.000 2.001 76 K HA -0.227 4.068 4.320 -0.042 0.000 0.214 76 K C 1.110 177.725 176.600 0.025 0.000 1.050 76 K CA 2.371 58.628 56.287 -0.051 0.000 0.934 76 K CB 0.041 32.553 32.500 0.020 0.000 0.718 76 K HN 0.819 nan 8.250 nan 0.000 0.443 77 D N -0.667 119.786 120.400 0.088 0.000 2.342 77 D HA 0.057 4.672 4.640 -0.042 0.000 0.221 77 D C 0.497 176.915 176.300 0.197 0.000 1.101 77 D CA 0.126 54.236 54.000 0.183 0.000 0.837 77 D CB 0.036 40.910 40.800 0.122 0.000 0.938 77 D HN 0.136 nan 8.370 nan 0.000 0.508 78 M N 0.129 119.753 119.600 0.041 0.000 2.705 78 M HA 0.453 4.908 4.480 -0.042 0.000 0.311 78 M C -0.359 175.600 176.300 -0.568 0.000 1.214 78 M CA -0.940 54.237 55.300 -0.206 0.000 0.920 78 M CB 2.683 35.212 32.600 -0.118 0.000 1.687 78 M HN -0.236 nan 8.290 nan 0.000 0.481 79 I N 1.322 121.403 120.570 -0.815 0.000 2.412 79 I HA 0.305 4.450 4.170 -0.042 0.000 0.296 79 I C -0.755 174.815 176.117 -0.912 0.000 0.987 79 I CA -0.752 59.884 61.300 -1.106 0.000 1.180 79 I CB 1.092 38.221 38.000 -1.452 0.000 1.340 79 I HN 0.519 nan 8.210 nan 0.000 0.455 80 H N 6.548 125.411 119.070 -0.344 0.000 2.505 80 H HA 0.445 4.973 4.556 -0.046 0.000 0.338 80 H C -0.654 174.592 175.328 -0.136 0.000 1.057 80 H CA -0.707 55.220 56.048 -0.201 0.000 1.202 80 H CB 2.184 31.907 29.762 -0.064 0.000 1.466 80 H HN 0.248 nan 8.280 nan 0.000 0.499 81 I N 2.477 123.011 120.570 -0.059 0.000 2.312 81 I HA 0.067 4.212 4.170 -0.042 0.000 0.290 81 I C 0.536 176.694 176.117 0.069 0.000 1.008 81 I CA -0.334 60.961 61.300 -0.008 0.000 1.226 81 I CB 0.955 38.889 38.000 -0.109 0.000 1.371 81 I HN 0.355 nan 8.210 nan 0.000 0.468 82 S N 5.774 121.556 115.700 0.137 0.000 2.416 82 S HA 0.081 4.526 4.470 -0.042 0.000 0.302 82 S C 0.002 174.653 174.600 0.085 0.000 1.120 82 S CA -0.127 58.171 58.200 0.164 0.000 1.067 82 S CB -0.584 62.724 63.200 0.179 0.000 1.057 82 S HN 0.402 nan 8.310 nan 0.000 0.518 83 H N 2.502 121.520 119.070 -0.086 0.000 2.705 83 H HA 0.617 5.147 4.556 -0.043 0.000 0.291 83 H C 0.554 175.626 175.328 -0.427 0.000 1.085 83 H CA 0.979 56.917 56.048 -0.183 0.000 1.357 83 H CB -0.091 29.584 29.762 -0.146 0.000 1.419 83 H HN 0.800 nan 8.280 nan 0.000 0.462 84 G N 4.263 112.620 108.800 -0.737 0.000 2.302 84 G HA2 -0.059 3.876 3.960 -0.042 0.000 0.264 84 G HA3 -0.059 3.876 3.960 -0.042 0.000 0.264 84 G C -2.882 171.752 174.900 -0.443 0.000 1.335 84 G CA -0.852 43.560 45.100 -1.148 0.000 0.982 84 G HN 0.498 nan 8.290 nan 0.000 0.473 85 P HA 0.311 nan 4.420 nan 0.000 0.272 85 P C 1.099 178.336 177.300 -0.104 0.000 1.254 85 P CA -0.081 62.977 63.100 -0.069 0.000 0.795 85 P CB 0.905 32.571 31.700 -0.056 0.000 1.022 86 V N 1.012 120.882 119.914 -0.074 0.000 2.809 86 V HA -0.078 4.017 4.120 -0.042 0.000 0.256 86 V C 2.081 178.035 176.094 -0.233 0.000 1.080 86 V CA 2.504 64.736 62.300 -0.114 0.000 1.102 86 V CB -1.430 30.350 31.823 -0.072 0.000 0.705 86 V HN 0.745 nan 8.190 nan 0.000 0.475 87 G N -0.605 108.041 108.800 -0.255 0.000 2.480 87 G HA2 -0.308 3.627 3.960 -0.042 0.000 0.216 87 G HA3 -0.308 3.627 3.960 -0.042 0.000 0.216 87 G C 1.762 176.287 174.900 -0.625 0.000 1.200 87 G CA 1.413 46.221 45.100 -0.486 0.000 0.782 87 G HN 0.559 nan 8.290 nan 0.000 0.554 88 C N 0.816 119.911 119.300 -0.342 0.000 2.385 88 C HA -0.012 4.423 4.460 -0.042 0.000 0.275 88 C C 3.183 178.060 174.990 -0.189 0.000 1.207 88 C CA 0.883 59.691 59.018 -0.351 0.000 1.760 88 C CB -1.326 25.929 27.740 -0.807 0.000 2.051 88 C HN 0.522 nan 8.230 nan 0.000 0.467 89 G N -1.095 107.609 108.800 -0.161 0.000 2.623 89 G HA2 -0.100 3.835 3.960 -0.042 0.000 0.214 89 G HA3 -0.100 3.835 3.960 -0.042 0.000 0.214 89 G C 1.537 176.407 174.900 -0.049 0.000 1.138 89 G CA 0.759 45.875 45.100 0.027 0.000 0.794 89 G HN 0.559 nan 8.290 nan 0.000 0.535 90 Q N 0.013 119.675 119.800 -0.231 0.000 2.062 90 Q HA -0.028 4.287 4.340 -0.042 0.000 0.196 90 Q C 2.042 177.957 176.000 -0.141 0.000 0.967 90 Q CA 1.240 56.899 55.803 -0.240 0.000 0.832 90 Q CB -0.386 28.111 28.738 -0.402 0.000 0.899 90 Q HN 0.528 nan 8.270 nan 0.000 0.442 91 Y N 0.045 120.372 120.300 0.045 0.000 2.421 91 Y HA -0.003 4.560 4.550 0.021 0.000 0.292 91 Y C 2.333 178.281 175.900 0.080 0.000 1.136 91 Y CA 1.060 59.192 58.100 0.054 0.000 1.255 91 Y CB -0.704 37.783 38.460 0.045 0.000 0.991 91 Y HN 0.253 nan 8.280 nan 0.000 0.552 92 S N -0.534 115.289 115.700 0.206 0.000 2.593 92 S HA 0.048 4.493 4.470 -0.042 0.000 0.217 92 S C 0.991 175.668 174.600 0.129 0.000 0.966 92 S CA -0.427 57.881 58.200 0.180 0.000 0.914 92 S CB -0.127 63.209 63.200 0.226 0.000 0.776 92 S HN 0.176 nan 8.310 nan 0.000 0.523 93 R N 1.879 122.441 120.500 0.104 0.000 2.404 93 R HA 0.284 4.599 4.340 -0.042 0.000 0.315 93 R C 0.689 177.047 176.300 0.097 0.000 1.032 93 R CA 0.831 56.981 56.100 0.083 0.000 0.992 93 R CB -0.289 30.040 30.300 0.047 0.000 0.959 93 R HN 0.517 nan 8.270 nan 0.000 0.428 94 A N 3.204 126.089 122.820 0.108 0.000 2.799 94 A HA -0.220 4.075 4.320 -0.042 0.000 0.287 94 A C 1.244 178.909 177.584 0.135 0.000 1.484 94 A CA 1.266 53.380 52.037 0.128 0.000 0.813 94 A CB -1.918 17.154 19.000 0.120 0.000 1.009 94 A HN 0.934 nan 8.150 nan 0.000 0.545 95 G N -1.247 107.627 108.800 0.124 0.000 2.453 95 G HA2 0.211 4.146 3.960 -0.042 0.000 0.215 95 G HA3 0.211 4.146 3.960 -0.042 0.000 0.215 95 G C 0.723 175.691 174.900 0.114 0.000 1.147 95 G CA 0.762 45.937 45.100 0.126 0.000 0.802 95 G HN 0.744 nan 8.290 nan 0.000 0.535 96 R N 0.438 120.992 120.500 0.091 0.000 2.407 96 R HA 0.415 4.730 4.340 -0.042 0.000 0.303 96 R C -0.179 176.179 176.300 0.097 0.000 0.981 96 R CA -0.659 55.474 56.100 0.055 0.000 0.905 96 R CB 0.705 31.012 30.300 0.012 0.000 1.099 96 R HN -0.004 nan 8.270 nan 0.000 0.459 97 R N 3.607 124.142 120.500 0.058 0.000 4.390 97 R HA 0.094 4.409 4.340 -0.042 0.000 0.229 97 R C -0.487 175.853 176.300 0.067 0.000 1.674 97 R CA -0.171 56.006 56.100 0.129 0.000 1.526 97 R CB -0.273 30.046 30.300 0.032 0.000 1.418 97 R HN 0.585 nan 8.270 nan 0.000 0.790 98 N N 1.476 120.277 118.700 0.169 0.000 2.602 98 N HA 0.025 4.740 4.740 -0.042 0.000 0.238 98 N C -0.710 174.998 175.510 0.330 0.000 1.084 98 N CA -0.324 52.816 53.050 0.149 0.000 0.952 98 N CB 0.490 39.052 38.487 0.125 0.000 1.244 98 N HN 0.064 nan 8.380 nan 0.000 0.512 99 Y N 2.264 122.543 120.300 -0.036 0.000 2.480 99 Y HA 0.085 4.609 4.550 -0.043 0.000 0.338 99 Y C 0.295 176.239 175.900 0.075 0.000 1.220 99 Y CA -0.709 57.372 58.100 -0.031 0.000 1.430 99 Y CB 0.132 38.440 38.460 -0.253 0.000 1.311 99 Y HN 0.486 nan 8.280 nan 0.000 0.575 100 Y N 0.257 120.677 120.300 0.201 0.000 2.609 100 Y HA 0.657 5.182 4.550 -0.041 0.000 0.336 100 Y C -1.727 174.373 175.900 0.334 0.000 1.129 100 Y CA -1.889 56.395 58.100 0.307 0.000 1.040 100 Y CB 0.811 39.371 38.460 0.167 0.000 1.310 100 Y HN 0.234 nan 8.280 nan 0.000 0.460 101 I N 2.797 123.595 120.570 0.380 0.000 2.321 101 I HA 0.784 4.929 4.170 -0.042 0.000 0.291 101 I C 0.429 176.664 176.117 0.196 0.000 0.998 101 I CA -0.074 61.306 61.300 0.133 0.000 1.227 101 I CB 0.580 38.621 38.000 0.068 0.000 1.368 101 I HN 0.986 nan 8.210 nan 0.000 0.466 102 G N 4.203 113.066 108.800 0.105 0.000 2.356 102 G HA2 0.326 4.261 3.960 -0.042 0.000 0.294 102 G HA3 0.326 4.261 3.960 -0.042 0.000 0.294 102 G C -1.427 173.511 174.900 0.063 0.000 1.423 102 G CA -0.519 44.666 45.100 0.143 0.000 0.806 102 G HN 0.320 nan 8.290 nan 0.000 0.527 103 T N 1.832 116.400 114.554 0.023 0.000 2.853 103 T HA 0.514 4.839 4.350 -0.042 0.000 0.317 103 T C 0.200 174.875 174.700 -0.042 0.000 1.059 103 T CA -0.132 61.965 62.100 -0.005 0.000 0.954 103 T CB 0.727 69.588 68.868 -0.011 0.000 0.994 103 T HN 0.555 nan 8.240 nan 0.000 0.479 104 T N 2.609 117.174 114.554 0.018 0.000 2.834 104 T HA 0.442 4.767 4.350 -0.042 0.000 0.298 104 T C 1.496 176.206 174.700 0.016 0.000 0.966 104 T CA 0.611 62.713 62.100 0.004 0.000 1.141 104 T CB 0.663 69.611 68.868 0.134 0.000 0.905 104 T HN 0.914 nan 8.240 nan 0.000 0.535 105 G N 1.931 110.725 108.800 -0.010 0.000 2.176 105 G HA2 -0.250 3.685 3.960 -0.042 0.000 0.232 105 G HA3 -0.250 3.685 3.960 -0.042 0.000 0.232 105 G C 0.537 175.637 174.900 0.332 0.000 0.986 105 G CA 0.218 45.493 45.100 0.293 0.000 0.643 105 G HN 0.623 nan 8.290 nan 0.000 0.522 106 V N 0.870 120.803 119.914 0.032 0.000 3.444 106 V HA 0.212 4.307 4.120 -0.042 0.000 0.210 106 V C 1.991 178.083 176.094 -0.005 0.000 1.217 106 V CA 1.474 63.837 62.300 0.106 0.000 1.302 106 V CB 0.190 32.043 31.823 0.050 0.000 1.341 106 V HN 0.525 nan 8.190 nan 0.000 0.522 107 N N 0.880 119.450 118.700 -0.216 0.000 2.227 107 N HA 0.251 4.966 4.740 -0.042 0.000 0.196 107 N C 0.075 175.269 175.510 -0.527 0.000 1.142 107 N CA 0.749 53.689 53.050 -0.184 0.000 0.887 107 N CB 1.448 39.917 38.487 -0.030 0.000 1.022 107 N HN 0.432 nan 8.380 nan 0.000 0.500 108 A N -0.060 122.252 122.820 -0.847 0.000 2.413 108 A HA 0.712 5.007 4.320 -0.042 0.000 0.307 108 A C -1.272 175.685 177.584 -1.044 0.000 1.087 108 A CA -0.599 51.026 52.037 -0.687 0.000 0.750 108 A CB 0.743 19.671 19.000 -0.120 0.000 1.296 108 A HN 0.121 nan 8.150 nan 0.000 0.423 109 F N 1.030 120.943 119.950 -0.061 0.000 2.960 109 F HA 0.150 4.651 4.527 -0.042 0.000 0.345 109 F C 1.436 177.231 175.800 -0.008 0.000 1.147 109 F CA -0.071 57.942 58.000 0.022 0.000 1.099 109 F CB 0.227 39.261 39.000 0.056 0.000 1.219 109 F HN 0.320 nan 8.300 nan 0.000 0.525 110 V N 0.353 120.183 119.914 -0.141 0.000 2.324 110 V HA -0.304 3.791 4.120 -0.042 0.000 0.250 110 V C 2.376 178.507 176.094 0.062 0.000 1.060 110 V CA 2.790 65.007 62.300 -0.137 0.000 1.042 110 V CB -1.098 30.336 31.823 -0.648 0.000 0.650 110 V HN 0.577 nan 8.190 nan 0.000 0.450 111 T N -3.288 111.345 114.554 0.132 0.000 3.129 111 T HA 0.256 4.581 4.350 -0.042 0.000 0.251 111 T C 0.520 175.269 174.700 0.081 0.000 1.117 111 T CA 0.117 62.307 62.100 0.150 0.000 1.034 111 T CB -0.231 68.755 68.868 0.197 0.000 0.968 111 T HN 0.296 nan 8.240 nan 0.000 0.526 112 M N 2.264 121.894 119.600 0.050 0.000 2.291 112 M HA 0.382 4.837 4.480 -0.042 0.000 0.324 112 M C 0.064 176.276 176.300 -0.146 0.000 1.148 112 M CA -0.722 54.500 55.300 -0.129 0.000 1.104 112 M CB 0.690 33.083 32.600 -0.345 0.000 1.483 112 M HN -0.051 nan 8.290 nan 0.000 0.467 113 N N 1.856 120.403 118.700 -0.254 0.000 2.558 113 N HA 0.353 5.068 4.740 -0.042 0.000 0.242 113 N C -2.053 173.322 175.510 -0.226 0.000 0.979 113 N CA -0.215 52.758 53.050 -0.128 0.000 0.931 113 N CB 0.249 38.694 38.487 -0.069 0.000 1.122 113 N HN 0.365 nan 8.380 nan 0.000 0.508 114 F N 1.234 121.165 119.950 -0.033 0.000 2.410 114 F HA 0.466 4.966 4.527 -0.046 0.000 0.349 114 F C 1.252 177.041 175.800 -0.019 0.000 1.117 114 F CA -0.353 57.614 58.000 -0.057 0.000 1.104 114 F CB 1.894 40.812 39.000 -0.138 0.000 1.122 114 F HN 0.193 nan 8.300 nan 0.000 0.483 115 T N -0.127 114.520 114.554 0.156 0.000 2.843 115 T HA 0.333 4.658 4.350 -0.042 0.000 0.302 115 T C 0.419 175.202 174.700 0.139 0.000 1.232 115 T CA -0.310 61.860 62.100 0.117 0.000 1.009 115 T CB 1.365 70.265 68.868 0.053 0.000 1.254 115 T HN 0.554 nan 8.240 nan 0.000 0.504 116 S N 1.362 117.171 115.700 0.181 0.000 2.575 116 S HA 0.161 4.606 4.470 -0.042 0.000 0.215 116 S C 0.593 175.359 174.600 0.278 0.000 0.966 116 S CA 0.739 59.102 58.200 0.272 0.000 0.911 116 S CB -0.475 63.036 63.200 0.519 0.000 0.780 116 S HN 0.938 nan 8.310 nan 0.000 0.514 117 D N 1.066 121.575 120.400 0.182 0.000 2.755 117 D HA -0.208 4.407 4.640 -0.042 0.000 0.227 117 D C -1.047 175.386 176.300 0.222 0.000 1.211 117 D CA 0.259 54.344 54.000 0.142 0.000 0.663 117 D CB -1.980 38.870 40.800 0.084 0.000 0.983 117 D HN 0.314 nan 8.370 nan 0.000 0.407 118 F N 0.982 120.917 119.950 -0.026 0.000 2.612 118 F HA 0.092 4.573 4.527 -0.077 0.000 0.389 118 F C 1.505 177.289 175.800 -0.026 0.000 1.055 118 F CA 0.364 58.345 58.000 -0.033 0.000 1.232 118 F CB 0.373 39.331 39.000 -0.070 0.000 1.044 118 F HN 0.143 nan 8.300 nan 0.000 0.560 119 Q N 2.050 121.874 119.800 0.039 0.000 2.333 119 Q HA 0.166 4.481 4.340 -0.042 0.000 0.266 119 Q C 1.295 177.278 176.000 -0.028 0.000 1.053 119 Q CA -0.656 55.155 55.803 0.013 0.000 0.890 119 Q CB 0.890 29.626 28.738 -0.004 0.000 1.337 119 Q HN 0.701 nan 8.270 nan 0.000 0.474 120 E N 0.890 121.079 120.200 -0.018 0.000 2.171 120 E HA -0.230 4.095 4.350 -0.042 0.000 0.197 120 E C 1.413 177.973 176.600 -0.068 0.000 0.997 120 E CA 1.509 57.887 56.400 -0.038 0.000 0.810 120 E CB 0.279 29.963 29.700 -0.027 0.000 0.738 120 E HN 0.455 nan 8.360 nan 0.000 0.467 121 K N 0.318 120.698 120.400 -0.033 0.000 2.148 121 K HA -0.173 4.122 4.320 -0.042 0.000 0.204 121 K C 1.173 177.758 176.600 -0.024 0.000 1.050 121 K CA 1.534 57.846 56.287 0.042 0.000 0.942 121 K CB -0.098 32.466 32.500 0.106 0.000 0.724 121 K HN 0.151 nan 8.250 nan 0.000 0.446 122 D N 1.453 121.733 120.400 -0.201 0.000 2.149 122 D HA -0.062 4.553 4.640 -0.042 0.000 0.201 122 D C 2.137 178.222 176.300 -0.359 0.000 0.972 122 D CA 0.761 54.490 54.000 -0.452 0.000 0.835 122 D CB 0.065 40.206 40.800 -1.098 0.000 0.966 122 D HN 0.172 nan 8.370 nan 0.000 0.476 123 I N 1.112 121.564 120.570 -0.197 0.000 2.202 123 I HA -0.164 3.981 4.170 -0.042 0.000 0.242 123 I C 2.576 178.600 176.117 -0.156 0.000 1.091 123 I CA 0.718 61.982 61.300 -0.060 0.000 1.368 123 I CB -0.885 37.110 38.000 -0.009 0.000 1.058 123 I HN -0.108 nan 8.210 nan 0.000 0.410 124 V N -0.038 119.700 119.914 -0.294 0.000 2.548 124 V HA -0.185 3.910 4.120 -0.042 0.000 0.249 124 V C 1.665 177.285 176.094 -0.790 0.000 1.055 124 V CA 1.605 63.550 62.300 -0.591 0.000 1.065 124 V CB -0.492 30.862 31.823 -0.781 0.000 0.681 124 V HN 0.223 nan 8.190 nan 0.000 0.462 125 F N -0.343 119.569 119.950 -0.064 0.000 2.746 125 F HA 0.618 5.118 4.527 -0.044 0.000 0.320 125 F C 1.085 176.851 175.800 -0.056 0.000 1.097 125 F CA 0.021 57.988 58.000 -0.054 0.000 1.195 125 F CB 0.256 39.221 39.000 -0.059 0.000 1.056 125 F HN 0.165 nan 8.300 nan 0.000 0.562 126 G N 0.319 109.136 108.800 0.029 0.000 2.785 126 G HA2 0.086 4.021 3.960 -0.042 0.000 0.686 126 G HA3 0.086 4.021 3.960 -0.042 0.000 0.686 126 G C 0.629 175.507 174.900 -0.037 0.000 1.155 126 G CA -0.550 44.568 45.100 0.030 0.000 0.760 126 G HN 0.566 nan 8.290 nan 0.000 0.624 127 G N -0.238 108.568 108.800 0.010 0.000 3.233 127 G HA2 0.342 4.277 3.960 -0.042 0.000 0.227 127 G HA3 0.342 4.277 3.960 -0.042 0.000 0.227 127 G C 0.918 175.942 174.900 0.207 0.000 1.175 127 G CA 1.090 46.206 45.100 0.026 0.000 0.781 127 G HN 0.670 nan 8.290 nan 0.000 0.542 128 D N 1.232 121.722 120.400 0.149 0.000 2.178 128 D HA -0.055 4.560 4.640 -0.042 0.000 0.202 128 D C 2.187 178.519 176.300 0.053 0.000 0.974 128 D CA 0.786 54.851 54.000 0.110 0.000 0.841 128 D CB 0.237 41.084 40.800 0.079 0.000 0.953 128 D HN 0.322 nan 8.370 nan 0.000 0.478 129 K N 0.886 121.309 120.400 0.038 0.000 2.025 129 K HA -0.080 4.214 4.320 -0.042 0.000 0.207 129 K C 2.125 178.732 176.600 0.012 0.000 1.049 129 K CA 0.666 56.961 56.287 0.013 0.000 0.933 129 K CB 0.051 32.551 32.500 0.000 0.000 0.714 129 K HN -0.046 nan 8.250 nan 0.000 0.438 130 K N 1.327 121.740 120.400 0.022 0.000 2.097 130 K HA -0.102 4.193 4.320 -0.042 0.000 0.206 130 K C 2.111 178.741 176.600 0.050 0.000 1.049 130 K CA 0.922 57.229 56.287 0.033 0.000 0.933 130 K CB -0.044 32.470 32.500 0.022 0.000 0.717 130 K HN 0.110 nan 8.250 nan 0.000 0.442 131 L N 0.314 121.572 121.223 0.058 0.000 2.046 131 L HA -0.191 4.124 4.340 -0.042 0.000 0.208 131 L C 2.408 179.241 176.870 -0.063 0.000 1.077 131 L CA 1.492 56.304 54.840 -0.048 0.000 0.747 131 L CB -0.479 41.497 42.059 -0.140 0.000 0.896 131 L HN 0.300 nan 8.230 nan 0.000 0.432 132 A N -0.225 122.573 122.820 -0.036 0.000 1.877 132 A HA -0.229 4.066 4.320 -0.042 0.000 0.216 132 A C 2.257 179.824 177.584 -0.028 0.000 1.186 132 A CA 1.611 53.625 52.037 -0.037 0.000 0.620 132 A CB -0.356 18.630 19.000 -0.022 0.000 0.822 132 A HN 0.340 nan 8.150 nan 0.000 0.443 133 K N -0.501 119.891 120.400 -0.013 0.000 2.032 133 K HA -0.171 4.124 4.320 -0.042 0.000 0.209 133 K C 1.950 178.549 176.600 -0.002 0.000 1.048 133 K CA 1.704 57.988 56.287 -0.006 0.000 0.927 133 K CB -0.535 31.967 32.500 0.002 0.000 0.712 133 K HN 0.596 nan 8.250 nan 0.000 0.441 134 L N -0.484 120.740 121.223 0.001 0.000 2.201 134 L HA -0.035 4.280 4.340 -0.042 0.000 0.212 134 L C 1.867 178.724 176.870 -0.021 0.000 1.105 134 L CA 1.436 56.282 54.840 0.010 0.000 0.775 134 L CB -0.504 41.570 42.059 0.026 0.000 0.913 134 L HN 0.048 nan 8.230 nan 0.000 0.440 135 I N 0.488 121.024 120.570 -0.056 0.000 2.286 135 I HA -0.238 3.907 4.170 -0.042 0.000 0.248 135 I C 2.067 178.154 176.117 -0.050 0.000 1.115 135 I CA 1.379 62.630 61.300 -0.082 0.000 1.392 135 I CB -0.508 37.432 38.000 -0.100 0.000 1.065 135 I HN 0.366 nan 8.210 nan 0.000 0.418 136 D N 0.714 121.097 120.400 -0.029 0.000 2.117 136 D HA -0.174 4.441 4.640 -0.042 0.000 0.198 136 D C 2.019 178.319 176.300 -0.000 0.000 0.982 136 D CA 1.212 55.202 54.000 -0.016 0.000 0.828 136 D CB -0.235 40.558 40.800 -0.012 0.000 0.967 136 D HN 0.430 nan 8.370 nan 0.000 0.464 137 E N 0.457 120.666 120.200 0.015 0.000 2.085 137 E HA -0.127 4.197 4.350 -0.042 0.000 0.194 137 E C 2.296 178.947 176.600 0.086 0.000 0.994 137 E CA 0.609 57.035 56.400 0.042 0.000 0.801 137 E CB 0.088 29.824 29.700 0.060 0.000 0.743 137 E HN 0.072 nan 8.360 nan 0.000 0.453 138 V N 1.093 121.058 119.914 0.086 0.000 2.515 138 V HA -0.211 3.884 4.120 -0.042 0.000 0.250 138 V C 2.127 178.284 176.094 0.104 0.000 1.058 138 V CA 1.701 64.086 62.300 0.143 0.000 1.064 138 V CB -0.309 31.465 31.823 -0.081 0.000 0.675 138 V HN 0.147 nan 8.190 nan 0.000 0.461 139 E N 0.448 120.659 120.200 0.019 0.000 2.112 139 E HA -0.123 4.202 4.350 -0.042 0.000 0.190 139 E C 2.395 178.998 176.600 0.005 0.000 0.979 139 E CA 1.578 57.979 56.400 0.002 0.000 0.814 139 E CB -0.370 29.319 29.700 -0.019 0.000 0.762 139 E HN 0.812 nan 8.360 nan 0.000 0.460 140 T N -1.038 113.513 114.554 -0.005 0.000 2.701 140 T HA -0.088 4.237 4.350 -0.042 0.000 0.263 140 T C 1.970 176.622 174.700 -0.079 0.000 1.040 140 T CA 1.073 63.155 62.100 -0.030 0.000 1.147 140 T CB -0.458 68.393 68.868 -0.029 0.000 0.865 140 T HN 0.097 nan 8.240 nan 0.000 0.426 141 L N -0.951 120.192 121.223 -0.133 0.000 2.395 141 L HA 0.282 4.597 4.340 -0.042 0.000 0.218 141 L C 0.370 176.820 176.870 -0.701 0.000 1.130 141 L CA 0.627 55.221 54.840 -0.410 0.000 0.826 141 L CB -0.113 41.641 42.059 -0.508 0.000 0.941 141 L HN 0.199 nan 8.230 nan 0.000 0.451 142 F N -0.551 119.416 119.950 0.028 0.000 2.564 142 F HA 0.293 4.795 4.527 -0.043 0.000 0.329 142 F C -1.519 174.293 175.800 0.019 0.000 1.458 142 F CA -1.742 56.288 58.000 0.050 0.000 1.117 142 F CB 0.292 39.248 39.000 -0.074 0.000 1.383 142 F HN -0.163 nan 8.300 nan 0.000 0.571 143 P HA -0.150 nan 4.420 nan 0.000 0.221 143 P C 1.180 178.548 177.300 0.114 0.000 1.145 143 P CA 1.120 64.270 63.100 0.083 0.000 0.795 143 P CB 0.543 32.271 31.700 0.047 0.000 0.775 144 L N -0.026 121.316 121.223 0.198 0.000 2.611 144 L HA 0.103 4.418 4.340 -0.042 0.000 0.229 144 L C 0.979 178.006 176.870 0.262 0.000 1.137 144 L CA -0.054 54.911 54.840 0.208 0.000 0.901 144 L CB -1.585 40.603 42.059 0.215 0.000 1.098 144 L HN 0.043 nan 8.230 nan 0.000 0.456 145 N N -0.329 118.491 118.700 0.200 0.000 2.492 145 N HA -0.013 4.702 4.740 -0.042 0.000 0.260 145 N C 0.283 175.805 175.510 0.020 0.000 1.215 145 N CA 0.284 53.358 53.050 0.041 0.000 0.923 145 N CB 0.424 38.680 38.487 -0.386 0.000 1.092 145 N HN 0.019 nan 8.380 nan 0.000 0.448 146 K N 0.785 121.200 120.400 0.024 0.000 2.498 146 K HA 0.330 4.625 4.320 -0.042 0.000 0.207 146 K C -0.255 176.333 176.600 -0.019 0.000 1.033 146 K CA -0.402 55.895 56.287 0.017 0.000 1.138 146 K CB 0.376 32.906 32.500 0.050 0.000 0.860 146 K HN 0.815 nan 8.250 nan 0.000 0.490 147 G N 0.866 109.617 108.800 -0.081 0.000 2.350 147 G HA2 0.194 4.129 3.960 -0.042 0.000 0.305 147 G HA3 0.194 4.129 3.960 -0.042 0.000 0.305 147 G C -1.703 173.079 174.900 -0.198 0.000 1.479 147 G CA -1.012 44.032 45.100 -0.093 0.000 0.949 147 G HN 0.041 nan 8.290 nan 0.000 0.651 148 I N 0.508 120.950 120.570 -0.214 0.000 2.730 148 I HA 0.699 4.844 4.170 -0.042 0.000 0.298 148 I C 0.095 176.032 176.117 -0.299 0.000 1.089 148 I CA -1.040 60.074 61.300 -0.309 0.000 1.041 148 I CB 2.611 40.424 38.000 -0.312 0.000 1.235 148 I HN 0.813 nan 8.210 nan 0.000 0.423 149 S N 3.766 119.275 115.700 -0.319 0.000 2.536 149 S HA 0.708 5.153 4.470 -0.042 0.000 0.287 149 S C -0.947 173.431 174.600 -0.370 0.000 1.101 149 S CA -0.734 57.200 58.200 -0.443 0.000 0.950 149 S CB 2.017 64.841 63.200 -0.627 0.000 1.056 149 S HN 0.577 nan 8.310 nan 0.000 0.481 150 V N 2.031 121.702 119.914 -0.405 0.000 2.384 150 V HA 0.590 4.685 4.120 -0.042 0.000 0.287 150 V C -1.086 174.853 176.094 -0.258 0.000 1.020 150 V CA -0.396 61.729 62.300 -0.291 0.000 0.850 150 V CB 1.467 33.088 31.823 -0.337 0.000 0.987 150 V HN 0.932 nan 8.190 nan 0.000 0.436 151 Q N 4.288 124.003 119.800 -0.142 0.000 2.390 151 Q HA 0.428 4.743 4.340 -0.042 0.000 0.249 151 Q C -0.044 175.972 176.000 0.026 0.000 0.996 151 Q CA -0.033 55.715 55.803 -0.091 0.000 0.899 151 Q CB 1.537 30.250 28.738 -0.042 0.000 1.216 151 Q HN 0.873 nan 8.270 nan 0.000 0.465 152 S N 2.655 118.342 115.700 -0.023 0.000 2.510 152 S HA 0.126 4.571 4.470 -0.042 0.000 0.279 152 S C 0.318 174.877 174.600 -0.070 0.000 1.284 152 S CA -0.299 57.874 58.200 -0.046 0.000 1.059 152 S CB 0.870 64.027 63.200 -0.071 0.000 0.901 152 S HN 0.375 nan 8.310 nan 0.000 0.491 153 E N 0.990 121.077 120.200 -0.188 0.000 2.312 153 E HA 0.175 4.500 4.350 -0.042 0.000 0.259 153 E C 0.828 177.310 176.600 -0.197 0.000 1.122 153 E CA -0.785 55.459 56.400 -0.260 0.000 0.922 153 E CB 0.444 29.911 29.700 -0.388 0.000 1.109 153 E HN 0.623 nan 8.360 nan 0.000 0.442 154 C N 1.382 120.608 119.300 -0.123 0.000 2.363 154 C HA -0.169 4.266 4.460 -0.042 0.000 0.274 154 C C -0.424 174.661 174.990 0.157 0.000 1.183 154 C CA 0.996 60.070 59.018 0.093 0.000 1.771 154 C CB -1.733 26.106 27.740 0.166 0.000 2.059 154 C HN 0.725 nan 8.230 nan 0.000 0.455 155 P HA -0.089 nan 4.420 nan 0.000 0.218 155 P C 1.504 178.800 177.300 -0.007 0.000 1.148 155 P CA 1.237 64.328 63.100 -0.014 0.000 0.822 155 P CB -0.271 31.395 31.700 -0.057 0.000 0.784 156 I N -0.661 119.844 120.570 -0.109 0.000 2.194 156 I HA -0.180 3.965 4.170 -0.042 0.000 0.246 156 I C 2.329 178.477 176.117 0.051 0.000 1.093 156 I CA 2.258 63.514 61.300 -0.073 0.000 1.355 156 I CB -2.194 35.708 38.000 -0.164 0.000 1.046 156 I HN 0.040 nan 8.210 nan 0.000 0.413 157 G N 0.632 109.512 108.800 0.132 0.000 2.411 157 G HA2 -0.048 3.887 3.960 -0.042 0.000 0.213 157 G HA3 -0.048 3.887 3.960 -0.042 0.000 0.213 157 G C 1.825 176.805 174.900 0.134 0.000 1.166 157 G CA 0.042 45.258 45.100 0.194 0.000 0.802 157 G HN 0.318 nan 8.290 nan 0.000 0.533 158 L N 0.197 121.482 121.223 0.103 0.000 2.131 158 L HA 0.054 4.369 4.340 -0.042 0.000 0.210 158 L C 2.595 179.453 176.870 -0.020 0.000 1.092 158 L CA 0.644 55.449 54.840 -0.058 0.000 0.759 158 L CB -0.201 41.785 42.059 -0.121 0.000 0.903 158 L HN 0.188 nan 8.230 nan 0.000 0.435 159 I N -0.440 120.145 120.570 0.024 0.000 2.876 159 I HA -0.041 4.104 4.170 -0.042 0.000 0.264 159 I C 1.245 177.382 176.117 0.033 0.000 1.204 159 I CA 0.859 62.177 61.300 0.030 0.000 1.485 159 I CB 0.037 38.086 38.000 0.082 0.000 1.103 159 I HN 0.457 nan 8.210 nan 0.000 0.446 160 G N 1.826 110.653 108.800 0.044 0.000 2.203 160 G HA2 -0.201 3.734 3.960 -0.042 0.000 0.231 160 G HA3 -0.201 3.734 3.960 -0.042 0.000 0.231 160 G C -0.329 174.607 174.900 0.060 0.000 1.058 160 G CA 0.020 45.147 45.100 0.044 0.000 0.781 160 G HN 0.354 nan 8.290 nan 0.000 0.496 161 D N 0.081 120.528 120.400 0.079 0.000 2.354 161 D HA 0.453 5.068 4.640 -0.042 0.000 0.247 161 D C -0.100 176.247 176.300 0.077 0.000 1.138 161 D CA -0.127 53.931 54.000 0.096 0.000 0.958 161 D CB 0.985 41.874 40.800 0.149 0.000 1.144 161 D HN 0.104 nan 8.370 nan 0.000 0.458 162 D N 1.173 121.616 120.400 0.071 0.000 2.434 162 D HA 0.130 4.745 4.640 -0.042 0.000 0.275 162 D C 1.363 177.684 176.300 0.036 0.000 1.172 162 D CA -0.273 53.758 54.000 0.052 0.000 0.916 162 D CB 0.352 41.180 40.800 0.047 0.000 1.041 162 D HN 0.387 nan 8.370 nan 0.000 0.501 163 I N -0.818 119.768 120.570 0.026 0.000 2.567 163 I HA -0.148 3.997 4.170 -0.042 0.000 0.257 163 I C 1.338 177.402 176.117 -0.088 0.000 1.184 163 I CA 0.793 62.073 61.300 -0.032 0.000 1.451 163 I CB 0.102 38.074 38.000 -0.047 0.000 1.089 163 I HN -0.059 nan 8.210 nan 0.000 0.441 164 E N 1.957 122.134 120.200 -0.038 0.000 2.047 164 E HA -0.120 4.205 4.350 -0.042 0.000 0.191 164 E C 2.395 179.023 176.600 0.047 0.000 0.987 164 E CA 1.764 58.166 56.400 0.004 0.000 0.799 164 E CB -0.429 29.352 29.700 0.134 0.000 0.752 164 E HN 0.528 nan 8.360 nan 0.000 0.449 165 S N 0.322 116.052 115.700 0.049 0.000 2.359 165 S HA -0.177 4.268 4.470 -0.042 0.000 0.223 165 S C 2.212 176.824 174.600 0.021 0.000 1.039 165 S CA 1.441 59.670 58.200 0.048 0.000 1.042 165 S CB -0.594 62.630 63.200 0.039 0.000 0.915 165 S HN 0.064 nan 8.310 nan 0.000 0.439 166 V N 1.977 121.886 119.914 -0.009 0.000 2.332 166 V HA -0.192 3.903 4.120 -0.042 0.000 0.248 166 V C 2.494 178.550 176.094 -0.064 0.000 1.055 166 V CA 2.048 64.327 62.300 -0.035 0.000 1.038 166 V CB -1.103 30.689 31.823 -0.051 0.000 0.651 166 V HN 0.440 nan 8.190 nan 0.000 0.450 167 S N -0.424 115.208 115.700 -0.114 0.000 2.368 167 S HA -0.208 4.237 4.470 -0.042 0.000 0.225 167 S C 1.966 176.546 174.600 -0.033 0.000 1.030 167 S CA 1.570 59.667 58.200 -0.172 0.000 0.999 167 S CB -0.269 62.680 63.200 -0.418 0.000 0.844 167 S HN 0.629 nan 8.310 nan 0.000 0.459 168 K N 0.740 121.189 120.400 0.081 0.000 2.025 168 K HA -0.031 4.264 4.320 -0.042 0.000 0.207 168 K C 2.121 178.768 176.600 0.077 0.000 1.049 168 K CA 1.228 57.612 56.287 0.161 0.000 0.933 168 K CB -0.520 32.087 32.500 0.178 0.000 0.714 168 K HN 0.158 nan 8.250 nan 0.000 0.438 169 V N 2.216 122.155 119.914 0.042 0.000 2.233 169 V HA -0.254 3.841 4.120 -0.042 0.000 0.247 169 V C 2.273 178.372 176.094 0.009 0.000 1.050 169 V CA 1.689 64.002 62.300 0.022 0.000 1.010 169 V CB -0.371 31.460 31.823 0.012 0.000 0.637 169 V HN 0.250 nan 8.190 nan 0.000 0.444 170 K N 0.409 120.803 120.400 -0.010 0.000 2.097 170 K HA -0.086 4.209 4.320 -0.042 0.000 0.206 170 K C 2.249 178.839 176.600 -0.018 0.000 1.049 170 K CA 1.473 57.745 56.287 -0.025 0.000 0.933 170 K CB -1.038 31.431 32.500 -0.053 0.000 0.717 170 K HN 0.554 nan 8.250 nan 0.000 0.442 171 G N 1.278 110.074 108.800 -0.007 0.000 2.446 171 G HA2 -0.265 3.670 3.960 -0.042 0.000 0.217 171 G HA3 -0.265 3.670 3.960 -0.042 0.000 0.217 171 G C 1.698 176.615 174.900 0.027 0.000 1.168 171 G CA 1.374 46.483 45.100 0.014 0.000 0.771 171 G HN 0.378 nan 8.290 nan 0.000 0.551 172 A N 0.851 123.692 122.820 0.036 0.000 1.841 172 A HA -0.117 4.178 4.320 -0.042 0.000 0.216 172 A C 2.158 179.753 177.584 0.018 0.000 1.199 172 A CA 2.196 54.252 52.037 0.031 0.000 0.621 172 A CB -0.822 18.197 19.000 0.032 0.000 0.835 172 A HN 0.479 nan 8.150 nan 0.000 0.445 173 E N -0.289 119.917 120.200 0.011 0.000 2.048 173 E HA -0.221 4.104 4.350 -0.042 0.000 0.202 173 E C 1.673 178.275 176.600 0.002 0.000 1.021 173 E CA 1.741 58.144 56.400 0.005 0.000 0.825 173 E CB -0.261 29.438 29.700 -0.001 0.000 0.756 173 E HN 0.592 nan 8.360 nan 0.000 0.454 174 L N 0.356 121.577 121.223 -0.003 0.000 2.591 174 L HA 0.094 4.409 4.340 -0.042 0.000 0.228 174 L C 0.564 177.434 176.870 0.000 0.000 1.133 174 L CA 0.067 54.903 54.840 -0.006 0.000 0.880 174 L CB 0.220 42.268 42.059 -0.018 0.000 1.033 174 L HN 0.016 nan 8.230 nan 0.000 0.450 175 S N 0.329 116.034 115.700 0.008 0.000 3.614 175 S HA -0.206 4.239 4.470 -0.042 0.000 0.360 175 S C 0.177 174.785 174.600 0.014 0.000 1.023 175 S CA 0.836 59.045 58.200 0.016 0.000 1.114 175 S CB -1.126 62.083 63.200 0.015 0.000 0.907 175 S HN 0.462 nan 8.310 nan 0.000 0.470 176 K N 1.096 121.500 120.400 0.008 0.000 2.316 176 K HA 0.539 4.834 4.320 -0.042 0.000 0.251 176 K C -0.431 176.172 176.600 0.005 0.000 0.934 176 K CA -0.390 55.893 56.287 -0.006 0.000 0.802 176 K CB 1.264 33.744 32.500 -0.034 0.000 1.171 176 K HN 0.026 nan 8.250 nan 0.000 0.426 177 T N 4.706 119.266 114.554 0.010 0.000 2.727 177 T HA 0.368 4.693 4.350 -0.042 0.000 0.295 177 T C -0.061 174.620 174.700 -0.031 0.000 0.915 177 T CA -0.106 62.017 62.100 0.038 0.000 1.066 177 T CB -0.394 68.511 68.868 0.062 0.000 0.891 177 T HN 0.360 nan 8.240 nan 0.000 0.516 178 I N 3.749 124.281 120.570 -0.064 0.000 2.410 178 I HA 0.328 4.473 4.170 -0.042 0.000 0.286 178 I C -0.357 175.533 176.117 -0.378 0.000 1.009 178 I CA -1.070 60.106 61.300 -0.206 0.000 1.111 178 I CB 1.837 39.719 38.000 -0.196 0.000 1.262 178 I HN 0.257 nan 8.210 nan 0.000 0.443 179 V N 8.450 128.072 119.914 -0.488 0.000 2.364 179 V HA 0.306 4.401 4.120 -0.042 0.000 0.272 179 V C -2.064 173.520 176.094 -0.849 0.000 1.036 179 V CA -1.678 60.157 62.300 -0.775 0.000 0.880 179 V CB 1.136 32.548 31.823 -0.685 0.000 0.991 179 V HN 0.553 nan 8.190 nan 0.000 0.460 180 P HA 0.293 nan 4.420 nan 0.000 0.287 180 P C -0.913 176.087 177.300 -0.501 0.000 1.281 180 P CA -0.169 62.544 63.100 -0.644 0.000 0.781 180 P CB 1.704 33.065 31.700 -0.565 0.000 0.903 181 V N 5.815 125.499 119.914 -0.382 0.000 2.409 181 V HA 0.319 4.414 4.120 -0.042 0.000 0.290 181 V C 0.803 176.790 176.094 -0.179 0.000 1.017 181 V CA -0.586 61.541 62.300 -0.289 0.000 0.841 181 V CB 1.555 33.136 31.823 -0.403 0.000 1.003 181 V HN 0.419 nan 8.190 nan 0.000 0.426 182 R N 3.345 123.770 120.500 -0.124 0.000 3.171 182 R HA 0.231 4.546 4.340 -0.042 0.000 0.241 182 R C 0.294 176.511 176.300 -0.139 0.000 1.421 182 R CA -0.224 55.810 56.100 -0.109 0.000 1.444 182 R CB 0.192 30.449 30.300 -0.071 0.000 1.247 182 R HN 0.902 nan 8.270 nan 0.000 0.636 183 C N -0.523 118.692 119.300 -0.142 0.000 2.395 183 C HA 0.312 4.747 4.460 -0.042 0.000 0.315 183 C C 0.081 174.963 174.990 -0.180 0.000 1.399 183 C CA -1.197 57.732 59.018 -0.148 0.000 1.788 183 C CB -1.341 26.335 27.740 -0.106 0.000 2.564 183 C HN 0.469 nan 8.230 nan 0.000 0.552 184 E N 1.114 121.117 120.200 -0.327 0.000 2.465 184 E HA 0.353 4.678 4.350 -0.042 0.000 0.260 184 E C 1.582 177.867 176.600 -0.525 0.000 0.980 184 E CA 0.877 56.994 56.400 -0.471 0.000 0.927 184 E CB 0.547 29.735 29.700 -0.853 0.000 0.934 184 E HN 0.581 nan 8.360 nan 0.000 0.459 185 G N 2.549 111.187 108.800 -0.271 0.000 2.499 185 G HA2 -0.290 3.645 3.960 -0.042 0.000 0.221 185 G HA3 -0.290 3.645 3.960 -0.042 0.000 0.221 185 G C 1.010 175.837 174.900 -0.121 0.000 1.109 185 G CA 0.956 45.974 45.100 -0.137 0.000 0.749 185 G HN 0.647 nan 8.290 nan 0.000 0.568 186 F N 0.315 120.253 119.950 -0.021 0.000 2.710 186 F HA 0.422 4.921 4.527 -0.048 0.000 0.298 186 F C 1.172 176.961 175.800 -0.018 0.000 1.137 186 F CA -1.055 56.933 58.000 -0.019 0.000 1.444 186 F CB -0.135 38.850 39.000 -0.025 0.000 1.111 186 F HN -0.138 nan 8.300 nan 0.000 0.580 187 R N 1.619 121.932 120.500 -0.311 0.000 2.390 187 R HA 0.460 4.775 4.340 -0.042 0.000 0.291 187 R C 0.915 177.170 176.300 -0.076 0.000 1.070 187 R CA 0.263 56.270 56.100 -0.155 0.000 1.014 187 R CB 0.374 30.504 30.300 -0.282 0.000 1.007 187 R HN 0.502 nan 8.270 nan 0.000 0.466 188 G N 0.559 109.348 108.800 -0.018 0.000 2.645 188 G HA2 -0.299 3.636 3.960 -0.042 0.000 0.246 188 G HA3 -0.299 3.636 3.960 -0.042 0.000 0.246 188 G C 0.365 175.271 174.900 0.010 0.000 1.322 188 G CA -0.150 44.943 45.100 -0.011 0.000 0.898 188 G HN 0.710 nan 8.290 nan 0.000 0.573 189 V N -3.180 116.743 119.914 0.015 0.000 3.477 189 V HA 0.708 4.803 4.120 -0.042 0.000 0.297 189 V C 0.702 176.825 176.094 0.048 0.000 1.433 189 V CA 1.579 63.901 62.300 0.037 0.000 1.052 189 V CB -0.419 31.433 31.823 0.047 0.000 0.895 189 V HN 2.507 nan 8.190 nan 0.000 0.438 190 S N -0.494 115.214 115.700 0.013 0.000 2.669 190 S HA 0.234 4.679 4.470 -0.042 0.000 0.266 190 S C 0.396 174.906 174.600 -0.150 0.000 1.149 190 S CA 0.007 58.209 58.200 0.002 0.000 0.842 190 S CB 1.082 64.350 63.200 0.113 0.000 1.160 190 S HN 0.315 nan 8.310 nan 0.000 0.487 191 Q N 0.587 120.209 119.800 -0.298 0.000 2.500 191 Q HA 0.004 4.319 4.340 -0.042 0.000 0.213 191 Q C 1.591 177.079 176.000 -0.853 0.000 0.974 191 Q CA 1.694 57.186 55.803 -0.518 0.000 0.918 191 Q CB -0.705 27.713 28.738 -0.534 0.000 0.980 191 Q HN 0.604 nan 8.270 nan 0.000 0.505 192 S N 1.004 116.277 115.700 -0.712 0.000 2.359 192 S HA -0.141 4.304 4.470 -0.042 0.000 0.224 192 S C 1.780 176.222 174.600 -0.263 0.000 1.035 192 S CA 0.995 58.900 58.200 -0.492 0.000 1.018 192 S CB -0.193 63.093 63.200 0.143 0.000 0.876 192 S HN 0.416 nan 8.310 nan 0.000 0.448 193 L N 1.697 122.840 121.223 -0.134 0.000 2.191 193 L HA 0.120 4.435 4.340 -0.042 0.000 0.212 193 L C 2.245 179.033 176.870 -0.136 0.000 1.103 193 L CA 1.811 56.605 54.840 -0.077 0.000 0.769 193 L CB -1.186 40.833 42.059 -0.067 0.000 0.908 193 L HN 0.397 nan 8.230 nan 0.000 0.438 194 G N -1.715 106.947 108.800 -0.229 0.000 2.432 194 G HA2 -0.288 3.647 3.960 -0.042 0.000 0.219 194 G HA3 -0.288 3.647 3.960 -0.042 0.000 0.219 194 G C 1.296 176.145 174.900 -0.085 0.000 1.135 194 G CA 1.125 46.113 45.100 -0.186 0.000 0.767 194 G HN 0.622 nan 8.290 nan 0.000 0.550 195 H N -1.592 117.441 119.070 -0.062 0.000 2.357 195 H HA -0.066 4.465 4.556 -0.042 0.000 0.301 195 H C 2.492 177.816 175.328 -0.007 0.000 1.082 195 H CA 1.103 57.150 56.048 -0.001 0.000 1.342 195 H CB -0.014 29.791 29.762 0.070 0.000 1.389 195 H HN 0.281 nan 8.280 nan 0.000 0.511 196 H N 0.985 119.935 119.070 -0.200 0.000 2.357 196 H HA -0.065 4.466 4.556 -0.042 0.000 0.301 196 H C 2.189 177.351 175.328 -0.278 0.000 1.082 196 H CA 1.321 56.992 56.048 -0.627 0.000 1.342 196 H CB -0.198 29.082 29.762 -0.803 0.000 1.389 196 H HN 0.311 nan 8.280 nan 0.000 0.511 197 I N 0.085 120.636 120.570 -0.030 0.000 2.226 197 I HA -0.255 3.890 4.170 -0.042 0.000 0.245 197 I C 2.768 178.939 176.117 0.089 0.000 1.100 197 I CA 1.090 62.371 61.300 -0.031 0.000 1.374 197 I CB -0.385 37.575 38.000 -0.067 0.000 1.057 197 I HN 0.250 nan 8.210 nan 0.000 0.413 198 A N 0.678 123.592 122.820 0.157 0.000 1.902 198 A HA -0.220 4.075 4.320 -0.042 0.000 0.217 198 A C 2.100 179.862 177.584 0.298 0.000 1.181 198 A CA 1.878 54.128 52.037 0.355 0.000 0.623 198 A CB -0.892 18.298 19.000 0.315 0.000 0.818 198 A HN 0.475 nan 8.150 nan 0.000 0.443 199 N N -0.089 118.724 118.700 0.188 0.000 2.084 199 N HA -0.158 4.557 4.740 -0.042 0.000 0.190 199 N C 0.979 176.589 175.510 0.168 0.000 1.030 199 N CA 1.534 54.691 53.050 0.178 0.000 0.849 199 N CB -0.276 38.322 38.487 0.185 0.000 1.012 199 N HN 0.413 nan 8.380 nan 0.000 0.423 200 D N 1.029 121.516 120.400 0.145 0.000 2.178 200 D HA -0.069 4.546 4.640 -0.042 0.000 0.201 200 D C 1.836 178.245 176.300 0.181 0.000 0.980 200 D CA 0.581 54.644 54.000 0.104 0.000 0.842 200 D CB -0.249 40.575 40.800 0.038 0.000 0.948 200 D HN 0.235 nan 8.370 nan 0.000 0.472 201 A N 0.589 123.571 122.820 0.271 0.000 1.930 201 A HA -0.104 4.191 4.320 -0.042 0.000 0.217 201 A C 2.506 180.410 177.584 0.533 0.000 1.175 201 A CA 0.943 53.223 52.037 0.405 0.000 0.627 201 A CB -0.629 18.540 19.000 0.282 0.000 0.815 201 A HN 0.133 nan 8.150 nan 0.000 0.443 202 V N 0.456 120.663 119.914 0.488 0.000 2.287 202 V HA -0.282 3.813 4.120 -0.042 0.000 0.248 202 V C 2.677 178.917 176.094 0.244 0.000 1.053 202 V CA 2.277 64.775 62.300 0.329 0.000 1.027 202 V CB -0.860 31.011 31.823 0.080 0.000 0.646 202 V HN 0.647 nan 8.190 nan 0.000 0.447 203 R N 0.345 120.935 120.500 0.149 0.000 2.097 203 R HA -0.223 4.092 4.340 -0.042 0.000 0.236 203 R C 2.042 178.356 176.300 0.024 0.000 1.135 203 R CA 2.498 58.591 56.100 -0.013 0.000 0.934 203 R CB -0.684 29.485 30.300 -0.218 0.000 0.846 203 R HN 0.523 nan 8.270 nan 0.000 0.431 204 D N -1.344 119.079 120.400 0.038 0.000 2.219 204 D HA -0.153 4.462 4.640 -0.042 0.000 0.205 204 D C 1.290 177.421 176.300 -0.282 0.000 0.970 204 D CA 1.126 55.035 54.000 -0.151 0.000 0.851 204 D CB -0.106 40.576 40.800 -0.196 0.000 0.943 204 D HN 0.418 nan 8.370 nan 0.000 0.488 205 W N -0.608 120.738 121.300 0.076 0.000 2.871 205 W HA 0.217 4.856 4.660 -0.035 0.000 0.340 205 W C 1.583 178.155 176.519 0.089 0.000 1.058 205 W CA -0.129 57.257 57.345 0.069 0.000 1.633 205 W CB 0.556 30.044 29.460 0.046 0.000 1.067 205 W HN -0.255 nan 8.180 nan 0.000 0.554 206 V N -0.918 119.167 119.914 0.285 0.000 3.141 206 V HA 0.005 4.100 4.120 -0.042 0.000 0.225 206 V C 1.501 177.680 176.094 0.141 0.000 1.352 206 V CA 0.199 62.621 62.300 0.203 0.000 1.316 206 V CB -0.376 31.567 31.823 0.200 0.000 1.126 206 V HN -0.121 nan 8.190 nan 0.000 0.493 207 L N 1.915 123.236 121.223 0.164 0.000 2.191 207 L HA 0.049 4.364 4.340 -0.042 0.000 0.212 207 L C 2.018 179.010 176.870 0.203 0.000 1.103 207 L CA 2.357 57.312 54.840 0.192 0.000 0.769 207 L CB -0.760 41.474 42.059 0.292 0.000 0.908 207 L HN 0.343 nan 8.230 nan 0.000 0.438 208 G N -1.824 107.092 108.800 0.194 0.000 2.880 208 G HA2 -0.158 3.777 3.960 -0.042 0.000 0.209 208 G HA3 -0.158 3.777 3.960 -0.042 0.000 0.209 208 G C 1.603 176.580 174.900 0.128 0.000 1.157 208 G CA 0.202 45.421 45.100 0.198 0.000 0.779 208 G HN 0.325 nan 8.290 nan 0.000 0.539 209 K N 0.395 120.853 120.400 0.096 0.000 2.160 209 K HA -0.047 4.248 4.320 -0.042 0.000 0.206 209 K C 1.827 178.463 176.600 0.060 0.000 1.047 209 K CA 0.787 57.117 56.287 0.071 0.000 0.930 209 K CB -0.029 32.511 32.500 0.067 0.000 0.720 209 K HN 0.170 nan 8.250 nan 0.000 0.450 210 R N 0.165 120.696 120.500 0.052 0.000 2.552 210 R HA 0.046 4.361 4.340 -0.042 0.000 0.314 210 R C 0.291 176.626 176.300 0.057 0.000 1.041 210 R CA -0.198 55.927 56.100 0.041 0.000 1.076 210 R CB 0.444 30.749 30.300 0.008 0.000 1.290 210 R HN 0.146 nan 8.270 nan 0.000 0.563 211 D N 1.873 122.328 120.400 0.092 0.000 2.182 211 D HA -0.207 4.408 4.640 -0.042 0.000 0.201 211 D C 1.622 177.981 176.300 0.097 0.000 0.986 211 D CA 1.470 55.548 54.000 0.130 0.000 0.847 211 D CB 0.254 41.150 40.800 0.161 0.000 0.942 211 D HN 0.505 nan 8.370 nan 0.000 0.467 212 E N 0.265 120.508 120.200 0.073 0.000 2.474 212 E HA -0.023 4.302 4.350 -0.042 0.000 0.194 212 E C -0.366 176.270 176.600 0.060 0.000 1.041 212 E CA -0.037 56.400 56.400 0.061 0.000 0.874 212 E CB 0.059 29.788 29.700 0.049 0.000 0.914 212 E HN -0.098 nan 8.360 nan 0.000 0.498 213 D N 1.628 122.066 120.400 0.064 0.000 2.359 213 D HA 0.014 4.629 4.640 -0.042 0.000 0.250 213 D C 0.603 176.954 176.300 0.083 0.000 1.264 213 D CA 0.352 54.393 54.000 0.069 0.000 0.911 213 D CB 1.521 42.363 40.800 0.070 0.000 1.056 213 D HN 0.261 nan 8.370 nan 0.000 0.499 214 T N -2.003 112.596 114.554 0.074 0.000 3.023 214 T HA -0.151 4.174 4.350 -0.042 0.000 0.266 214 T C 1.815 176.566 174.700 0.086 0.000 1.093 214 T CA 0.811 62.956 62.100 0.074 0.000 1.129 214 T CB -0.379 68.521 68.868 0.053 0.000 0.899 214 T HN 0.366 nan 8.240 nan 0.000 0.491 215 T N -0.163 114.445 114.554 0.090 0.000 2.918 215 T HA -0.040 4.285 4.350 -0.042 0.000 0.271 215 T C 0.371 175.146 174.700 0.125 0.000 1.104 215 T CA 0.155 62.309 62.100 0.091 0.000 1.114 215 T CB -0.932 67.989 68.868 0.087 0.000 0.855 215 T HN 0.427 nan 8.240 nan 0.000 0.518 216 F N 2.854 122.815 119.950 0.017 0.000 2.424 216 F HA 0.554 5.057 4.527 -0.041 0.000 0.356 216 F C 0.459 176.268 175.800 0.016 0.000 1.110 216 F CA -2.103 55.908 58.000 0.018 0.000 1.161 216 F CB 0.348 39.357 39.000 0.016 0.000 1.115 216 F HN 0.133 nan 8.300 nan 0.000 0.507 217 A N 5.550 128.004 122.820 -0.610 0.000 2.671 217 A HA 0.405 4.700 4.320 -0.042 0.000 0.306 217 A C 0.249 177.487 177.584 -0.577 0.000 1.473 217 A CA -0.315 51.460 52.037 -0.437 0.000 1.155 217 A CB -0.990 17.824 19.000 -0.311 0.000 1.123 217 A HN 0.721 nan 8.150 nan 0.000 0.545 218 S N 1.161 116.711 115.700 -0.249 0.000 2.584 218 S HA 0.499 4.944 4.470 -0.042 0.000 0.270 218 S C 0.870 175.439 174.600 -0.051 0.000 1.346 218 S CA 0.252 58.432 58.200 -0.034 0.000 1.018 218 S CB 0.839 64.125 63.200 0.143 0.000 0.899 218 S HN 0.996 nan 8.310 nan 0.000 0.542 219 T N -1.680 112.874 114.554 0.001 0.000 2.907 219 T HA 0.512 4.836 4.350 -0.042 0.000 0.290 219 T C -2.475 172.180 174.700 -0.076 0.000 1.066 219 T CA -1.945 60.128 62.100 -0.045 0.000 1.012 219 T CB 1.563 70.431 68.868 -0.000 0.000 1.184 219 T HN 0.304 nan 8.240 nan 0.000 0.522 220 P HA -0.030 nan 4.420 nan 0.000 0.231 220 P C 0.001 177.226 177.300 -0.126 0.000 1.158 220 P CA 0.820 63.749 63.100 -0.285 0.000 0.763 220 P CB -0.177 31.220 31.700 -0.505 0.000 0.805 221 Y N -0.494 119.886 120.300 0.133 0.000 2.636 221 Y HA 0.263 4.787 4.550 -0.042 0.000 0.260 221 Y C 0.391 176.298 175.900 0.013 0.000 1.177 221 Y CA -1.400 56.703 58.100 0.006 0.000 1.209 221 Y CB -0.498 37.871 38.460 -0.152 0.000 1.166 221 Y HN -0.137 nan 8.280 nan 0.000 0.531 222 D N 0.674 121.207 120.400 0.222 0.000 2.351 222 D HA 0.316 4.931 4.640 -0.042 0.000 0.251 222 D C -0.255 176.157 176.300 0.187 0.000 1.137 222 D CA 0.358 54.471 54.000 0.189 0.000 0.879 222 D CB 2.248 43.175 40.800 0.213 0.000 1.181 222 D HN -0.072 nan 8.370 nan 0.000 0.448 223 V N 0.629 120.621 119.914 0.130 0.000 3.130 223 V HA 0.826 4.921 4.120 -0.042 0.000 0.310 223 V C -1.102 175.025 176.094 0.055 0.000 1.158 223 V CA -0.710 61.653 62.300 0.104 0.000 1.029 223 V CB 2.265 34.137 31.823 0.081 0.000 1.057 223 V HN 0.695 nan 8.190 nan 0.000 0.436 224 A N 3.474 126.304 122.820 0.016 0.000 2.422 224 A HA 0.827 5.122 4.320 -0.042 0.000 0.302 224 A C -1.128 176.436 177.584 -0.034 0.000 1.041 224 A CA -0.538 51.500 52.037 0.002 0.000 0.708 224 A CB 1.240 20.215 19.000 -0.041 0.000 1.257 224 A HN 0.684 nan 8.150 nan 0.000 0.414 225 I N 3.545 124.117 120.570 0.003 0.000 2.312 225 I HA 0.220 4.365 4.170 -0.042 0.000 0.291 225 I C -0.599 175.495 176.117 -0.039 0.000 1.031 225 I CA -0.279 61.019 61.300 -0.002 0.000 1.293 225 I CB 0.651 38.662 38.000 0.018 0.000 1.403 225 I HN 0.373 nan 8.210 nan 0.000 0.484 226 I N 5.429 125.940 120.570 -0.097 0.000 2.354 226 I HA 0.325 4.470 4.170 -0.042 0.000 0.292 226 I C 1.013 177.035 176.117 -0.159 0.000 0.989 226 I CA -0.454 60.710 61.300 -0.227 0.000 1.188 226 I CB 0.760 38.545 38.000 -0.359 0.000 1.342 226 I HN 0.868 nan 8.210 nan 0.000 0.457 227 G N 4.471 113.135 108.800 -0.227 0.000 2.248 227 G HA2 -0.185 3.750 3.960 -0.042 0.000 0.263 227 G HA3 -0.185 3.750 3.960 -0.042 0.000 0.263 227 G C -0.295 174.393 174.900 -0.353 0.000 1.082 227 G CA -0.126 44.789 45.100 -0.308 0.000 0.863 227 G HN 0.697 nan 8.290 nan 0.000 0.495 228 D N -0.909 119.185 120.400 -0.511 0.000 2.696 228 D HA 0.469 5.084 4.640 -0.042 0.000 0.251 228 D C 0.278 176.285 176.300 -0.488 0.000 1.188 228 D CA -0.763 53.067 54.000 -0.285 0.000 0.876 228 D CB 0.910 41.632 40.800 -0.131 0.000 1.334 228 D HN 0.095 nan 8.370 nan 0.000 0.540 229 Y N 2.364 122.636 120.300 -0.047 0.000 2.524 229 Y HA 0.150 4.676 4.550 -0.040 0.000 0.266 229 Y C 1.088 176.902 175.900 -0.144 0.000 1.180 229 Y CA -0.492 57.558 58.100 -0.083 0.000 1.244 229 Y CB -0.201 38.214 38.460 -0.075 0.000 1.125 229 Y HN 0.410 nan 8.280 nan 0.000 0.524 230 N N 1.013 119.630 118.700 -0.138 0.000 2.725 230 N HA -0.183 4.532 4.740 -0.042 0.000 0.251 230 N C -1.014 174.309 175.510 -0.312 0.000 1.031 230 N CA 0.181 53.051 53.050 -0.299 0.000 0.720 230 N CB -1.006 37.220 38.487 -0.435 0.000 0.930 230 N HN 0.130 nan 8.380 nan 0.000 0.543 231 I N 0.431 120.840 120.570 -0.269 0.000 2.581 231 I HA 0.184 4.329 4.170 -0.042 0.000 0.285 231 I C 1.945 177.826 176.117 -0.394 0.000 1.129 231 I CA 1.279 62.365 61.300 -0.357 0.000 1.397 231 I CB -0.379 37.349 38.000 -0.452 0.000 1.399 231 I HN 0.536 nan 8.210 nan 0.000 0.537 232 G N 5.239 113.572 108.800 -0.779 0.000 2.166 232 G HA2 -0.192 3.743 3.960 -0.042 0.000 0.260 232 G HA3 -0.192 3.743 3.960 -0.042 0.000 0.260 232 G C 0.990 175.628 174.900 -0.438 0.000 0.986 232 G CA 0.569 45.189 45.100 -0.800 0.000 0.683 232 G HN 1.623 nan 8.290 nan 0.000 0.527 233 G N -1.150 107.396 108.800 -0.425 0.000 2.159 233 G HA2 -0.219 3.716 3.960 -0.042 0.000 0.227 233 G HA3 -0.219 3.716 3.960 -0.042 0.000 0.227 233 G C 0.765 175.586 174.900 -0.131 0.000 0.986 233 G CA 0.864 45.859 45.100 -0.176 0.000 0.651 233 G HN 0.564 nan 8.290 nan 0.000 0.523 234 D N 0.613 120.881 120.400 -0.222 0.000 2.172 234 D HA -0.097 4.518 4.640 -0.042 0.000 0.196 234 D C 2.558 178.778 176.300 -0.133 0.000 0.999 234 D CA 1.892 55.722 54.000 -0.284 0.000 0.856 234 D CB -0.339 40.022 40.800 -0.732 0.000 0.934 234 D HN 0.788 nan 8.370 nan 0.000 0.453 235 A N 0.017 122.726 122.820 -0.184 0.000 1.970 235 A HA -0.100 4.195 4.320 -0.042 0.000 0.216 235 A C 1.954 179.605 177.584 0.111 0.000 1.170 235 A CA 0.483 52.482 52.037 -0.064 0.000 0.645 235 A CB -0.689 18.211 19.000 -0.167 0.000 0.816 235 A HN 0.197 nan 8.150 nan 0.000 0.447 236 W N 1.156 122.503 121.300 0.079 0.000 2.381 236 W HA -0.091 4.544 4.660 -0.041 0.000 0.301 236 W C 2.563 179.136 176.519 0.091 0.000 1.205 236 W CA 1.342 58.740 57.345 0.088 0.000 1.285 236 W CB -1.307 28.213 29.460 0.100 0.000 1.133 236 W HN 0.518 nan 8.180 nan 0.000 0.521 237 S N -1.278 114.601 115.700 0.298 0.000 2.607 237 S HA -0.007 4.438 4.470 -0.042 0.000 0.224 237 S C 1.629 176.326 174.600 0.161 0.000 0.969 237 S CA 0.981 59.301 58.200 0.201 0.000 0.927 237 S CB -0.222 63.075 63.200 0.160 0.000 0.772 237 S HN 0.001 nan 8.310 nan 0.000 0.533 238 S N 1.815 117.651 115.700 0.226 0.000 2.412 238 S HA 0.161 4.606 4.470 -0.042 0.000 0.223 238 S C 1.825 176.585 174.600 0.266 0.000 1.048 238 S CA 0.244 58.645 58.200 0.336 0.000 0.954 238 S CB -0.299 63.083 63.200 0.303 0.000 0.840 238 S HN 0.592 nan 8.310 nan 0.000 0.503 239 R N 1.393 122.016 120.500 0.204 0.000 2.094 239 R HA -0.096 4.219 4.340 -0.042 0.000 0.239 239 R C 2.298 178.683 176.300 0.142 0.000 1.137 239 R CA 1.732 57.931 56.100 0.165 0.000 0.943 239 R CB -0.588 29.840 30.300 0.214 0.000 0.850 239 R HN 0.431 nan 8.270 nan 0.000 0.433 240 I N 0.818 121.481 120.570 0.155 0.000 2.248 240 I HA -0.316 3.829 4.170 -0.042 0.000 0.248 240 I C 1.844 178.035 176.117 0.124 0.000 1.107 240 I CA 1.439 62.819 61.300 0.132 0.000 1.373 240 I CB 0.019 38.109 38.000 0.150 0.000 1.055 240 I HN 0.321 nan 8.210 nan 0.000 0.418 241 L N 0.042 121.330 121.223 0.109 0.000 2.056 241 L HA -0.201 4.114 4.340 -0.042 0.000 0.207 241 L C 2.517 179.441 176.870 0.091 0.000 1.078 241 L CA 1.124 56.013 54.840 0.082 0.000 0.749 241 L CB -0.643 41.377 42.059 -0.065 0.000 0.901 241 L HN 0.292 nan 8.230 nan 0.000 0.433 242 L N -0.457 120.825 121.223 0.097 0.000 2.046 242 L HA -0.196 4.119 4.340 -0.042 0.000 0.208 242 L C 2.559 179.425 176.870 -0.007 0.000 1.077 242 L CA 1.005 55.865 54.840 0.032 0.000 0.747 242 L CB -0.426 41.632 42.059 -0.001 0.000 0.896 242 L HN 0.195 nan 8.230 nan 0.000 0.432 243 E N 0.527 120.740 120.200 0.022 0.000 2.051 243 E HA -0.226 4.099 4.350 -0.042 0.000 0.192 243 E C 2.079 178.679 176.600 -0.000 0.000 0.991 243 E CA 1.271 57.676 56.400 0.009 0.000 0.799 243 E CB -0.002 29.722 29.700 0.039 0.000 0.748 243 E HN 0.393 nan 8.360 nan 0.000 0.449 244 E N -0.445 119.778 120.200 0.038 0.000 2.153 244 E HA -0.150 4.175 4.350 -0.042 0.000 0.194 244 E C 1.372 177.976 176.600 0.007 0.000 0.988 244 E CA 0.747 57.174 56.400 0.045 0.000 0.811 244 E CB -0.122 29.648 29.700 0.117 0.000 0.746 244 E HN 0.256 nan 8.360 nan 0.000 0.466 245 M N -0.044 119.551 119.600 -0.008 0.000 2.686 245 M HA 0.060 4.515 4.480 -0.042 0.000 0.216 245 M C 0.720 176.923 176.300 -0.162 0.000 1.221 245 M CA 0.611 55.876 55.300 -0.058 0.000 0.992 245 M CB -0.117 32.464 32.600 -0.033 0.000 1.739 245 M HN 0.278 nan 8.290 nan 0.000 0.461 246 G N 0.659 109.359 108.800 -0.167 0.000 2.257 246 G HA2 -0.290 3.645 3.960 -0.042 0.000 0.267 246 G HA3 -0.290 3.645 3.960 -0.042 0.000 0.267 246 G C 0.178 174.884 174.900 -0.323 0.000 0.984 246 G CA 0.522 45.458 45.100 -0.274 0.000 0.626 246 G HN 0.503 nan 8.290 nan 0.000 0.540 247 L N -0.302 120.756 121.223 -0.274 0.000 2.466 247 L HA 0.534 4.849 4.340 -0.042 0.000 0.257 247 L C 1.097 177.922 176.870 -0.075 0.000 1.189 247 L CA -0.612 54.090 54.840 -0.231 0.000 0.813 247 L CB 0.797 42.695 42.059 -0.268 0.000 1.118 247 L HN 0.238 nan 8.230 nan 0.000 0.471 248 R N 0.504 121.005 120.500 0.002 0.000 2.437 248 R HA 0.410 4.725 4.340 -0.042 0.000 0.310 248 R C -1.508 174.834 176.300 0.070 0.000 0.955 248 R CA -0.567 55.566 56.100 0.055 0.000 0.851 248 R CB 1.190 31.551 30.300 0.102 0.000 1.161 248 R HN 0.654 nan 8.270 nan 0.000 0.446 249 C N 5.001 124.343 119.300 0.070 0.000 2.225 249 C HA 0.196 4.631 4.460 -0.042 0.000 0.328 249 C C 1.811 176.864 174.990 0.104 0.000 1.187 249 C CA -0.849 58.215 59.018 0.077 0.000 1.665 249 C CB 0.318 28.101 27.740 0.072 0.000 2.253 249 C HN 0.757 nan 8.230 nan 0.000 0.497 250 V N 2.486 122.465 119.914 0.109 0.000 2.453 250 V HA 0.030 4.125 4.120 -0.042 0.000 0.247 250 V C 1.292 177.435 176.094 0.081 0.000 1.048 250 V CA 1.965 64.326 62.300 0.102 0.000 1.049 250 V CB -0.454 31.402 31.823 0.056 0.000 0.672 250 V HN 0.986 nan 8.190 nan 0.000 0.457 251 A N -0.859 122.026 122.820 0.109 0.000 2.556 251 A HA 0.751 5.046 4.320 -0.042 0.000 0.294 251 A C -0.882 176.819 177.584 0.195 0.000 1.091 251 A CA -0.506 51.628 52.037 0.162 0.000 0.704 251 A CB 1.850 21.024 19.000 0.290 0.000 1.300 251 A HN 0.198 nan 8.150 nan 0.000 0.406 252 Q N 0.577 120.490 119.800 0.187 0.000 2.303 252 Q HA 0.363 4.678 4.340 -0.042 0.000 0.267 252 Q C -2.044 174.036 176.000 0.134 0.000 1.011 252 Q CA -0.245 55.644 55.803 0.143 0.000 0.740 252 Q CB 1.254 30.051 28.738 0.098 0.000 1.250 252 Q HN 0.686 nan 8.270 nan 0.000 0.458 253 W N 3.240 124.429 121.300 -0.184 0.000 2.367 253 W HA 0.271 4.906 4.660 -0.040 0.000 0.329 253 W C 0.843 177.119 176.519 -0.405 0.000 1.066 253 W CA 0.046 57.241 57.345 -0.251 0.000 1.435 253 W CB 0.658 29.973 29.460 -0.241 0.000 1.296 253 W HN 0.894 nan 8.180 nan 0.000 0.401 254 S N 1.104 116.685 115.700 -0.198 0.000 1.312 254 S HA -0.167 4.278 4.470 -0.042 0.000 0.249 254 S C 0.986 175.538 174.600 -0.080 0.000 0.620 254 S CA 1.205 59.307 58.200 -0.162 0.000 1.086 254 S CB -1.564 61.633 63.200 -0.005 0.000 1.152 254 S HN 0.728 nan 8.310 nan 0.000 0.496 255 G N 1.469 110.204 108.800 -0.108 0.000 2.335 255 G HA2 0.381 4.316 3.960 -0.042 0.000 0.268 255 G HA3 0.381 4.316 3.960 -0.042 0.000 0.268 255 G C 0.162 175.039 174.900 -0.038 0.000 1.228 255 G CA 1.057 46.119 45.100 -0.063 0.000 0.968 255 G HN 0.761 nan 8.290 nan 0.000 0.459 256 D N 0.392 120.825 120.400 0.055 0.000 2.983 256 D HA -0.135 4.480 4.640 -0.042 0.000 0.225 256 D C 1.045 177.430 176.300 0.141 0.000 1.174 256 D CA 1.592 55.709 54.000 0.194 0.000 0.831 256 D CB -1.108 39.895 40.800 0.338 0.000 1.104 256 D HN 0.809 nan 8.370 nan 0.000 0.421 257 G N -0.394 108.429 108.800 0.038 0.000 2.444 257 G HA2 0.516 4.451 3.960 -0.042 0.000 0.268 257 G HA3 0.516 4.451 3.960 -0.042 0.000 0.268 257 G C 0.085 174.972 174.900 -0.022 0.000 1.203 257 G CA 0.188 45.270 45.100 -0.029 0.000 0.835 257 G HN 0.561 nan 8.290 nan 0.000 0.543 258 S N 1.236 116.916 115.700 -0.034 0.000 2.664 258 S HA 0.391 4.836 4.470 -0.042 0.000 0.304 258 S C 1.280 175.835 174.600 -0.076 0.000 1.099 258 S CA -0.820 57.370 58.200 -0.017 0.000 1.003 258 S CB 1.818 65.030 63.200 0.021 0.000 1.092 258 S HN 0.578 nan 8.310 nan 0.000 0.525 259 I N 1.485 122.029 120.570 -0.043 0.000 2.394 259 I HA -0.176 3.969 4.170 -0.042 0.000 0.251 259 I C 2.362 178.438 176.117 -0.068 0.000 1.136 259 I CA 1.768 63.030 61.300 -0.064 0.000 1.425 259 I CB -0.314 37.687 38.000 0.003 0.000 1.079 259 I HN 0.910 nan 8.210 nan 0.000 0.425 260 S N 0.093 115.773 115.700 -0.034 0.000 2.368 260 S HA -0.229 4.216 4.470 -0.042 0.000 0.225 260 S C 1.773 176.336 174.600 -0.061 0.000 1.030 260 S CA 1.301 59.483 58.200 -0.030 0.000 0.999 260 S CB -0.653 62.547 63.200 0.001 0.000 0.844 260 S HN 0.561 nan 8.310 nan 0.000 0.459 261 E N 1.183 121.345 120.200 -0.062 0.000 2.097 261 E HA -0.107 4.218 4.350 -0.042 0.000 0.196 261 E C 2.023 178.577 176.600 -0.076 0.000 1.000 261 E CA 1.601 57.965 56.400 -0.059 0.000 0.804 261 E CB -0.422 29.254 29.700 -0.040 0.000 0.740 261 E HN 0.600 nan 8.360 nan 0.000 0.454 262 I N 1.004 121.458 120.570 -0.195 0.000 2.163 262 I HA -0.255 3.890 4.170 -0.042 0.000 0.240 262 I C 2.145 178.231 176.117 -0.052 0.000 1.081 262 I CA 1.251 62.395 61.300 -0.259 0.000 1.353 262 I CB -0.263 37.383 38.000 -0.590 0.000 1.054 262 I HN 0.079 nan 8.210 nan 0.000 0.407 263 E N 0.617 120.775 120.200 -0.070 0.000 2.267 263 E HA -0.189 4.136 4.350 -0.042 0.000 0.197 263 E C 2.105 178.653 176.600 -0.086 0.000 0.998 263 E CA 0.963 57.340 56.400 -0.038 0.000 0.830 263 E CB -0.034 29.651 29.700 -0.024 0.000 0.751 263 E HN 0.514 nan 8.360 nan 0.000 0.491 264 L N 0.047 121.187 121.223 -0.138 0.000 2.446 264 L HA -0.020 4.295 4.340 -0.042 0.000 0.219 264 L C 2.182 178.901 176.870 -0.251 0.000 1.116 264 L CA 0.474 55.139 54.840 -0.291 0.000 0.844 264 L CB -0.041 41.753 42.059 -0.443 0.000 0.970 264 L HN 0.076 nan 8.230 nan 0.000 0.457 265 T N 0.306 114.822 114.554 -0.064 0.000 2.737 265 T HA -0.129 4.196 4.350 -0.042 0.000 0.269 265 T C -0.623 173.990 174.700 -0.146 0.000 1.040 265 T CA 1.205 63.304 62.100 -0.002 0.000 1.142 265 T CB -1.075 67.971 68.868 0.297 0.000 0.861 265 T HN 0.208 nan 8.240 nan 0.000 0.456 266 P HA -0.084 nan 4.420 nan 0.000 0.224 266 P C 1.105 178.208 177.300 -0.328 0.000 1.142 266 P CA 0.996 63.741 63.100 -0.591 0.000 0.778 266 P CB -0.032 31.058 31.700 -1.016 0.000 0.764 267 K N -1.072 119.208 120.400 -0.200 0.000 2.374 267 K HA 0.115 4.410 4.320 -0.042 0.000 0.196 267 K C 0.935 177.549 176.600 0.023 0.000 1.023 267 K CA 0.146 56.398 56.287 -0.058 0.000 1.103 267 K CB -0.456 32.033 32.500 -0.018 0.000 0.848 267 K HN 0.175 nan 8.250 nan 0.000 0.528 268 V N -0.882 119.028 119.914 -0.007 0.000 3.214 268 V HA 0.261 4.356 4.120 -0.042 0.000 0.306 268 V C 1.117 177.251 176.094 0.066 0.000 1.078 268 V CA -0.601 61.734 62.300 0.058 0.000 1.077 268 V CB 1.129 32.978 31.823 0.043 0.000 1.121 268 V HN -0.134 nan 8.190 nan 0.000 0.468 269 K N 0.449 120.914 120.400 0.108 0.000 2.262 269 K HA 0.393 4.688 4.320 -0.042 0.000 0.200 269 K C -0.158 176.481 176.600 0.065 0.000 1.049 269 K CA 0.636 56.979 56.287 0.092 0.000 0.979 269 K CB 0.050 32.646 32.500 0.160 0.000 0.773 269 K HN 0.647 nan 8.250 nan 0.000 0.474 270 L N 0.287 121.573 121.223 0.105 0.000 2.549 270 L HA 0.295 4.610 4.340 -0.042 0.000 0.259 270 L C -1.853 175.057 176.870 0.068 0.000 0.934 270 L CA -0.367 54.520 54.840 0.078 0.000 0.865 270 L CB 2.074 44.191 42.059 0.098 0.000 1.352 270 L HN -0.059 nan 8.230 nan 0.000 0.410 271 N N 4.558 123.294 118.700 0.060 0.000 2.437 271 N HA 0.574 5.289 4.740 -0.042 0.000 0.259 271 N C -1.280 174.274 175.510 0.074 0.000 0.983 271 N CA -0.522 52.538 53.050 0.016 0.000 0.937 271 N CB 1.146 39.620 38.487 -0.021 0.000 1.122 271 N HN 0.467 nan 8.380 nan 0.000 0.499 272 L N 3.339 124.582 121.223 0.033 0.000 2.259 272 L HA 0.365 4.680 4.340 -0.042 0.000 0.288 272 L C -0.516 176.513 176.870 0.265 0.000 1.051 272 L CA -0.797 54.098 54.840 0.092 0.000 0.824 272 L CB 0.934 42.888 42.059 -0.174 0.000 1.206 272 L HN 0.225 nan 8.230 nan 0.000 0.429 273 V N 3.356 123.453 119.914 0.305 0.000 2.348 273 V HA 0.107 4.202 4.120 -0.042 0.000 0.270 273 V C 0.862 176.953 176.094 -0.005 0.000 1.037 273 V CA -0.307 62.075 62.300 0.136 0.000 0.872 273 V CB 1.021 32.904 31.823 0.101 0.000 1.002 273 V HN 0.758 nan 8.190 nan 0.000 0.464 274 H N 3.134 122.024 119.070 -0.301 0.000 2.284 274 H HA 0.040 4.571 4.556 -0.042 0.000 0.314 274 H C 1.155 176.284 175.328 -0.332 0.000 1.058 274 H CA 1.110 56.800 56.048 -0.597 0.000 1.394 274 H CB 0.686 30.096 29.762 -0.585 0.000 1.431 274 H HN 0.616 nan 8.280 nan 0.000 0.537 275 C N 2.656 121.882 119.300 -0.125 0.000 2.345 275 C HA 0.045 4.480 4.460 -0.042 0.000 0.349 275 C C 1.662 176.559 174.990 -0.155 0.000 1.130 275 C CA -0.600 58.339 59.018 -0.133 0.000 1.574 275 C CB -2.299 25.464 27.740 0.038 0.000 2.108 275 C HN 0.585 nan 8.230 nan 0.000 0.516 276 Y N 4.573 124.704 120.300 -0.281 0.000 2.089 276 Y HA -0.136 4.389 4.550 -0.041 0.000 0.282 276 Y C 2.457 178.149 175.900 -0.348 0.000 1.139 276 Y CA 2.364 60.293 58.100 -0.285 0.000 1.123 276 Y CB -0.349 37.980 38.460 -0.218 0.000 0.980 276 Y HN 0.673 nan 8.280 nan 0.000 0.493 277 R N 1.064 121.393 120.500 -0.284 0.000 2.112 277 R HA -0.193 4.122 4.340 -0.042 0.000 0.242 277 R C 2.440 178.503 176.300 -0.395 0.000 1.137 277 R CA 2.535 58.424 56.100 -0.352 0.000 0.944 277 R CB -1.386 28.871 30.300 -0.071 0.000 0.857 277 R HN 0.541 nan 8.270 nan 0.000 0.435 278 S N -1.557 113.922 115.700 -0.368 0.000 2.461 278 S HA -0.001 4.444 4.470 -0.042 0.000 0.228 278 S C 1.747 176.223 174.600 -0.206 0.000 1.005 278 S CA 1.157 59.077 58.200 -0.466 0.000 0.942 278 S CB 0.057 62.874 63.200 -0.638 0.000 0.776 278 S HN 0.399 nan 8.310 nan 0.000 0.514 279 M N 1.413 120.815 119.600 -0.331 0.000 2.410 279 M HA 0.252 4.707 4.480 -0.042 0.000 0.376 279 M C 0.934 176.883 176.300 -0.586 0.000 1.051 279 M CA 0.007 55.118 55.300 -0.315 0.000 0.949 279 M CB 0.395 32.868 32.600 -0.211 0.000 1.577 279 M HN 0.504 nan 8.290 nan 0.000 0.560 280 N N -0.097 118.031 118.700 -0.953 0.000 2.289 280 N HA -0.208 4.507 4.740 -0.042 0.000 0.184 280 N C 1.049 176.020 175.510 -0.898 0.000 1.016 280 N CA 1.669 54.028 53.050 -1.153 0.000 0.872 280 N CB -0.449 37.127 38.487 -1.519 0.000 0.973 280 N HN 0.296 nan 8.380 nan 0.000 0.433 281 Y N 0.086 120.081 120.300 -0.507 0.000 2.145 281 Y HA -0.043 4.482 4.550 -0.041 0.000 0.286 281 Y C 2.202 177.961 175.900 -0.236 0.000 1.145 281 Y CA 0.574 58.457 58.100 -0.361 0.000 1.148 281 Y CB -0.616 37.608 38.460 -0.393 0.000 0.981 281 Y HN 0.129 nan 8.280 nan 0.000 0.507 282 I N -0.538 119.987 120.570 -0.074 0.000 2.353 282 I HA -0.205 3.940 4.170 -0.042 0.000 0.248 282 I C 2.212 178.219 176.117 -0.184 0.000 1.119 282 I CA 1.094 62.361 61.300 -0.055 0.000 1.417 282 I CB -0.532 37.443 38.000 -0.041 0.000 1.078 282 I HN 0.040 nan 8.210 nan 0.000 0.421 283 S N 0.581 116.005 115.700 -0.459 0.000 2.359 283 S HA -0.239 4.205 4.470 -0.042 0.000 0.224 283 S C 2.102 176.414 174.600 -0.480 0.000 1.035 283 S CA 1.495 59.313 58.200 -0.638 0.000 1.018 283 S CB -0.454 62.027 63.200 -1.199 0.000 0.876 283 S HN 0.427 nan 8.310 nan 0.000 0.448 284 R N 0.274 120.515 120.500 -0.431 0.000 2.091 284 R HA -0.140 4.174 4.340 -0.042 0.000 0.238 284 R C 2.459 178.797 176.300 0.063 0.000 1.136 284 R CA 1.587 57.669 56.100 -0.030 0.000 0.959 284 R CB -0.535 29.757 30.300 -0.013 0.000 0.856 284 R HN 0.586 nan 8.270 nan 0.000 0.437 285 H N 0.608 119.662 119.070 -0.027 0.000 2.357 285 H HA -0.054 4.477 4.556 -0.041 0.000 0.301 285 H C 1.878 177.236 175.328 0.050 0.000 1.082 285 H CA 1.666 57.725 56.048 0.019 0.000 1.342 285 H CB 0.060 29.845 29.762 0.039 0.000 1.389 285 H HN 0.169 nan 8.280 nan 0.000 0.511 286 M N 0.316 119.910 119.600 -0.011 0.000 2.296 286 M HA -0.105 4.350 4.480 -0.042 0.000 0.265 286 M C 2.269 178.609 176.300 0.068 0.000 1.064 286 M CA 1.377 56.725 55.300 0.080 0.000 1.109 286 M CB 0.011 32.686 32.600 0.126 0.000 1.396 286 M HN 0.213 nan 8.290 nan 0.000 0.430 287 E N 1.046 121.290 120.200 0.073 0.000 2.028 287 E HA -0.186 4.138 4.350 -0.042 0.000 0.191 287 E C 1.819 178.428 176.600 0.016 0.000 0.988 287 E CA 1.502 57.969 56.400 0.112 0.000 0.799 287 E CB 0.024 29.878 29.700 0.256 0.000 0.755 287 E HN 0.252 nan 8.360 nan 0.000 0.447 288 E N 0.500 120.680 120.200 -0.033 0.000 2.051 288 E HA -0.180 4.145 4.350 -0.042 0.000 0.192 288 E C 2.005 178.502 176.600 -0.172 0.000 0.991 288 E CA 1.242 57.596 56.400 -0.077 0.000 0.799 288 E CB -0.243 29.421 29.700 -0.059 0.000 0.748 288 E HN 0.288 nan 8.360 nan 0.000 0.449 289 K N -0.564 119.624 120.400 -0.353 0.000 2.044 289 K HA -0.059 4.236 4.320 -0.042 0.000 0.204 289 K C 1.510 177.806 176.600 -0.508 0.000 1.045 289 K CA 0.750 56.715 56.287 -0.536 0.000 0.951 289 K CB 0.046 31.983 32.500 -0.937 0.000 0.738 289 K HN 0.069 nan 8.250 nan 0.000 0.443 290 Y N -0.603 119.630 120.300 -0.112 0.000 2.458 290 Y HA 0.278 4.803 4.550 -0.042 0.000 0.256 290 Y C 1.201 177.081 175.900 -0.033 0.000 1.159 290 Y CA 0.234 58.303 58.100 -0.053 0.000 1.261 290 Y CB 1.010 39.447 38.460 -0.039 0.000 1.119 290 Y HN 0.377 nan 8.280 nan 0.000 0.524 291 G N 0.966 109.805 108.800 0.066 0.000 2.184 291 G HA2 -0.318 3.617 3.960 -0.042 0.000 0.264 291 G HA3 -0.318 3.617 3.960 -0.042 0.000 0.264 291 G C 0.182 175.119 174.900 0.062 0.000 0.975 291 G CA 0.129 45.257 45.100 0.046 0.000 0.642 291 G HN 0.340 nan 8.290 nan 0.000 0.536 292 I N 3.286 123.916 120.570 0.100 0.000 2.517 292 I HA 0.214 4.359 4.170 -0.042 0.000 0.285 292 I C -1.209 174.968 176.117 0.100 0.000 1.106 292 I CA -1.741 59.609 61.300 0.082 0.000 1.402 292 I CB 0.720 38.766 38.000 0.077 0.000 1.399 292 I HN -0.008 nan 8.210 nan 0.000 0.535 293 P HA 0.109 nan 4.420 nan 0.000 0.277 293 P C -1.272 176.101 177.300 0.123 0.000 1.240 293 P CA -0.242 62.877 63.100 0.031 0.000 0.798 293 P CB 0.780 32.440 31.700 -0.067 0.000 0.979 294 W N 3.263 124.537 121.300 -0.044 0.000 2.864 294 W HA 0.700 5.336 4.660 -0.040 0.000 0.343 294 W C -1.178 175.329 176.519 -0.020 0.000 1.109 294 W CA -1.410 55.910 57.345 -0.041 0.000 1.192 294 W CB 1.022 30.450 29.460 -0.054 0.000 1.426 294 W HN 0.348 nan 8.180 nan 0.000 0.529 295 M N 0.510 120.237 119.600 0.213 0.000 2.484 295 M HA 0.577 5.032 4.480 -0.042 0.000 0.289 295 M C -1.449 175.004 176.300 0.255 0.000 1.206 295 M CA -0.636 54.721 55.300 0.095 0.000 0.892 295 M CB 3.271 35.879 32.600 0.014 0.000 1.712 295 M HN 0.461 nan 8.290 nan 0.000 0.462 296 E N 1.779 122.101 120.200 0.202 0.000 2.313 296 E HA 0.571 4.896 4.350 -0.042 0.000 0.272 296 E C -1.692 175.037 176.600 0.215 0.000 1.038 296 E CA -0.266 56.259 56.400 0.208 0.000 0.863 296 E CB 1.335 31.106 29.700 0.118 0.000 1.060 296 E HN 0.608 nan 8.360 nan 0.000 0.402 297 Y N -0.086 120.228 120.300 0.023 0.000 2.655 297 Y HA 0.603 5.128 4.550 -0.042 0.000 0.336 297 Y C -1.371 174.537 175.900 0.013 0.000 1.154 297 Y CA -1.471 56.617 58.100 -0.019 0.000 1.055 297 Y CB 1.298 39.695 38.460 -0.105 0.000 1.295 297 Y HN 0.307 nan 8.280 nan 0.000 0.465 298 N N 1.009 119.707 118.700 -0.004 0.000 2.352 298 N HA 0.366 5.081 4.740 -0.042 0.000 0.291 298 N C -2.038 173.615 175.510 0.239 0.000 1.040 298 N CA -0.815 52.140 53.050 -0.160 0.000 0.864 298 N CB 1.112 39.308 38.487 -0.485 0.000 1.440 298 N HN 0.671 nan 8.380 nan 0.000 0.483 299 F N 2.666 122.560 119.950 -0.093 0.000 2.841 299 F HA 0.451 4.953 4.527 -0.042 0.000 0.358 299 F C -0.880 174.632 175.800 -0.479 0.000 1.261 299 F CA -0.747 57.072 58.000 -0.301 0.000 1.233 299 F CB -0.250 38.537 39.000 -0.355 0.000 1.008 299 F HN 0.305 nan 8.300 nan 0.000 0.507 300 F N 0.729 120.617 119.950 -0.104 0.000 2.347 300 F HA 0.618 5.119 4.527 -0.043 0.000 0.366 300 F C 0.718 176.316 175.800 -0.337 0.000 1.107 300 F CA -0.944 56.931 58.000 -0.209 0.000 1.058 300 F CB 1.014 39.898 39.000 -0.194 0.000 1.236 300 F HN 0.216 nan 8.300 nan 0.000 0.456 301 G N 5.079 113.746 108.800 -0.222 0.000 2.690 301 G HA2 -0.135 3.800 3.960 -0.042 0.000 0.686 301 G HA3 -0.135 3.800 3.960 -0.042 0.000 0.686 301 G C -2.220 172.258 174.900 -0.703 0.000 1.277 301 G CA -0.832 43.978 45.100 -0.483 0.000 0.799 301 G HN 0.389 nan 8.290 nan 0.000 0.613 302 P HA -0.156 nan 4.420 nan 0.000 0.214 302 P C 1.875 178.728 177.300 -0.745 0.000 1.163 302 P CA 2.608 65.091 63.100 -1.028 0.000 0.883 302 P CB -0.190 30.415 31.700 -1.826 0.000 0.788 303 T N 0.807 114.983 114.554 -0.630 0.000 2.635 303 T HA -0.154 4.171 4.350 -0.042 0.000 0.267 303 T C 1.869 176.404 174.700 -0.274 0.000 1.040 303 T CA 1.722 63.598 62.100 -0.373 0.000 1.156 303 T CB -0.455 68.244 68.868 -0.282 0.000 0.863 303 T HN 0.126 nan 8.240 nan 0.000 0.430 304 K N 0.798 121.035 120.400 -0.273 0.000 2.057 304 K HA 0.032 4.327 4.320 -0.042 0.000 0.206 304 K C 2.585 179.085 176.600 -0.168 0.000 1.050 304 K CA 1.128 57.303 56.287 -0.187 0.000 0.935 304 K CB -1.075 31.319 32.500 -0.176 0.000 0.715 304 K HN 0.352 nan 8.250 nan 0.000 0.439 305 T N 2.074 116.419 114.554 -0.349 0.000 2.746 305 T HA -0.057 4.268 4.350 -0.042 0.000 0.267 305 T C 2.085 176.572 174.700 -0.356 0.000 1.039 305 T CA 1.020 62.791 62.100 -0.548 0.000 1.142 305 T CB -0.148 67.975 68.868 -1.241 0.000 0.866 305 T HN 0.102 nan 8.240 nan 0.000 0.444 306 I N 1.427 121.848 120.570 -0.249 0.000 2.163 306 I HA -0.196 3.949 4.170 -0.042 0.000 0.240 306 I C 2.857 178.963 176.117 -0.019 0.000 1.081 306 I CA 1.610 62.876 61.300 -0.056 0.000 1.353 306 I CB -0.399 37.583 38.000 -0.030 0.000 1.054 306 I HN 0.452 nan 8.210 nan 0.000 0.407 307 E N 0.497 120.675 120.200 -0.037 0.000 2.153 307 E HA -0.165 4.160 4.350 -0.042 0.000 0.194 307 E C 2.038 178.660 176.600 0.038 0.000 0.988 307 E CA 1.554 57.952 56.400 -0.004 0.000 0.811 307 E CB -0.279 29.406 29.700 -0.026 0.000 0.746 307 E HN 0.324 nan 8.360 nan 0.000 0.466 308 S N 1.209 116.959 115.700 0.084 0.000 2.368 308 S HA -0.050 4.395 4.470 -0.042 0.000 0.224 308 S C 1.973 176.669 174.600 0.160 0.000 1.029 308 S CA 0.944 59.250 58.200 0.177 0.000 0.988 308 S CB -0.268 63.172 63.200 0.401 0.000 0.838 308 S HN 0.213 nan 8.310 nan 0.000 0.462 309 L N 0.668 121.987 121.223 0.160 0.000 2.042 309 L HA -0.135 4.180 4.340 -0.042 0.000 0.210 309 L C 2.751 179.671 176.870 0.082 0.000 1.076 309 L CA 1.198 56.108 54.840 0.116 0.000 0.749 309 L CB -0.338 41.769 42.059 0.079 0.000 0.893 309 L HN 0.170 nan 8.230 nan 0.000 0.432 310 R N -0.017 120.525 120.500 0.069 0.000 2.080 310 R HA -0.155 4.160 4.340 -0.042 0.000 0.236 310 R C 2.329 178.664 176.300 0.057 0.000 1.137 310 R CA 1.777 57.912 56.100 0.058 0.000 0.943 310 R CB -0.681 29.645 30.300 0.043 0.000 0.846 310 R HN 0.380 nan 8.270 nan 0.000 0.431 311 A N 0.012 122.863 122.820 0.052 0.000 1.930 311 A HA -0.092 4.203 4.320 -0.042 0.000 0.217 311 A C 2.192 179.809 177.584 0.056 0.000 1.175 311 A CA 1.373 53.435 52.037 0.041 0.000 0.627 311 A CB -0.521 18.499 19.000 0.033 0.000 0.815 311 A HN 0.300 nan 8.150 nan 0.000 0.443 312 I N -0.392 120.220 120.570 0.071 0.000 2.252 312 I HA -0.221 3.924 4.170 -0.042 0.000 0.245 312 I C 2.948 179.206 176.117 0.235 0.000 1.102 312 I CA 0.927 62.294 61.300 0.113 0.000 1.385 312 I CB -0.333 37.685 38.000 0.031 0.000 1.064 312 I HN 0.344 nan 8.210 nan 0.000 0.414 313 A N 0.923 123.844 122.820 0.169 0.000 1.902 313 A HA -0.152 4.143 4.320 -0.042 0.000 0.217 313 A C 2.526 180.237 177.584 0.212 0.000 1.181 313 A CA 1.734 53.885 52.037 0.191 0.000 0.623 313 A CB -0.831 18.227 19.000 0.098 0.000 0.818 313 A HN 0.418 nan 8.150 nan 0.000 0.443 314 A N -0.788 122.106 122.820 0.123 0.000 2.076 314 A HA -0.135 4.160 4.320 -0.042 0.000 0.220 314 A C 1.882 179.490 177.584 0.040 0.000 1.160 314 A CA 2.057 54.138 52.037 0.073 0.000 0.653 314 A CB -0.331 18.690 19.000 0.035 0.000 0.801 314 A HN 0.372 nan 8.150 nan 0.000 0.455 315 K N -1.599 118.819 120.400 0.032 0.000 2.525 315 K HA 0.276 4.571 4.320 -0.042 0.000 0.192 315 K C -0.439 175.908 176.600 -0.423 0.000 1.029 315 K CA 0.271 56.440 56.287 -0.198 0.000 1.029 315 K CB -0.200 32.128 32.500 -0.287 0.000 0.814 315 K HN 0.525 nan 8.250 nan 0.000 0.503 316 F N -0.954 119.028 119.950 0.053 0.000 2.979 316 F HA 0.265 4.767 4.527 -0.042 0.000 0.370 316 F C -0.271 175.586 175.800 0.094 0.000 1.320 316 F CA -1.322 56.738 58.000 0.101 0.000 1.095 316 F CB 0.471 39.572 39.000 0.168 0.000 1.553 316 F HN -0.117 nan 8.300 nan 0.000 0.493 317 D N -0.980 119.646 120.400 0.376 0.000 2.228 317 D HA 0.231 4.846 4.640 -0.042 0.000 0.247 317 D C 0.496 176.899 176.300 0.172 0.000 0.995 317 D CA -0.507 53.627 54.000 0.223 0.000 0.903 317 D CB 0.827 41.759 40.800 0.219 0.000 1.205 317 D HN 0.373 nan 8.370 nan 0.000 0.459 318 E N 0.754 121.019 120.200 0.109 0.000 2.370 318 E HA -0.363 3.962 4.350 -0.042 0.000 0.232 318 E C 1.864 178.496 176.600 0.053 0.000 1.117 318 E CA 2.490 58.933 56.400 0.072 0.000 0.963 318 E CB -0.669 29.065 29.700 0.057 0.000 0.810 318 E HN 0.694 nan 8.360 nan 0.000 0.464 319 S N 0.660 116.391 115.700 0.052 0.000 2.348 319 S HA -0.130 4.315 4.470 -0.042 0.000 0.221 319 S C 2.079 176.652 174.600 -0.044 0.000 1.033 319 S CA 1.183 59.383 58.200 -0.000 0.000 1.010 319 S CB -0.320 62.874 63.200 -0.011 0.000 0.891 319 S HN 0.109 nan 8.310 nan 0.000 0.442 320 I N 2.198 122.732 120.570 -0.060 0.000 2.286 320 I HA -0.122 4.023 4.170 -0.042 0.000 0.248 320 I C 2.713 178.821 176.117 -0.016 0.000 1.115 320 I CA 1.294 62.532 61.300 -0.104 0.000 1.392 320 I CB -1.738 36.192 38.000 -0.115 0.000 1.065 320 I HN 0.299 nan 8.210 nan 0.000 0.418 321 Q N 0.711 120.533 119.800 0.037 0.000 2.124 321 Q HA -0.198 4.117 4.340 -0.042 0.000 0.202 321 Q C 2.220 178.235 176.000 0.025 0.000 0.977 321 Q CA 1.525 57.354 55.803 0.043 0.000 0.850 321 Q CB -0.167 28.602 28.738 0.052 0.000 0.901 321 Q HN 0.204 nan 8.270 nan 0.000 0.429 322 K N 0.290 120.697 120.400 0.012 0.000 2.076 322 K HA 0.020 4.315 4.320 -0.042 0.000 0.204 322 K C 1.678 178.278 176.600 -0.001 0.000 1.051 322 K CA 1.087 57.378 56.287 0.007 0.000 0.949 322 K CB 0.093 32.594 32.500 0.003 0.000 0.726 322 K HN 0.048 nan 8.250 nan 0.000 0.443 323 K N -0.116 120.272 120.400 -0.020 0.000 2.103 323 K HA -0.170 4.125 4.320 -0.042 0.000 0.207 323 K C 2.319 178.922 176.600 0.006 0.000 1.048 323 K CA 1.377 57.650 56.287 -0.024 0.000 0.930 323 K CB -0.495 31.965 32.500 -0.067 0.000 0.716 323 K HN 0.241 nan 8.250 nan 0.000 0.444 324 C N 2.000 121.306 119.300 0.011 0.000 2.413 324 C HA -0.135 4.300 4.460 -0.042 0.000 0.277 324 C C 2.437 177.464 174.990 0.062 0.000 1.228 324 C CA 1.217 60.262 59.018 0.044 0.000 1.731 324 C CB -0.622 27.145 27.740 0.044 0.000 2.042 324 C HN 0.412 nan 8.230 nan 0.000 0.468 325 E N 0.633 120.861 120.200 0.046 0.000 2.153 325 E HA -0.159 4.166 4.350 -0.042 0.000 0.194 325 E C 2.017 178.642 176.600 0.042 0.000 0.988 325 E CA 1.344 57.772 56.400 0.047 0.000 0.811 325 E CB -0.511 29.208 29.700 0.032 0.000 0.746 325 E HN 0.763 nan 8.360 nan 0.000 0.466 326 E N 0.222 120.440 120.200 0.030 0.000 2.028 326 E HA -0.115 4.210 4.350 -0.042 0.000 0.191 326 E C 2.262 178.885 176.600 0.038 0.000 0.988 326 E CA 1.127 57.538 56.400 0.018 0.000 0.799 326 E CB -0.061 29.642 29.700 0.005 0.000 0.755 326 E HN -0.004 nan 8.360 nan 0.000 0.447 327 V N 1.738 121.702 119.914 0.084 0.000 2.282 327 V HA -0.307 3.788 4.120 -0.042 0.000 0.249 327 V C 2.294 178.518 176.094 0.217 0.000 1.057 327 V CA 1.764 64.173 62.300 0.183 0.000 1.032 327 V CB -0.459 31.493 31.823 0.214 0.000 0.645 327 V HN 0.294 nan 8.190 nan 0.000 0.447 328 I N 0.115 120.785 120.570 0.167 0.000 2.208 328 I HA -0.266 3.879 4.170 -0.042 0.000 0.245 328 I C 2.614 178.776 176.117 0.076 0.000 1.097 328 I CA 1.565 62.957 61.300 0.153 0.000 1.363 328 I CB -0.557 37.538 38.000 0.158 0.000 1.051 328 I HN 0.323 nan 8.210 nan 0.000 0.413 329 A N 0.571 123.413 122.820 0.036 0.000 1.930 329 A HA -0.244 4.051 4.320 -0.042 0.000 0.217 329 A C 2.388 179.921 177.584 -0.085 0.000 1.175 329 A CA 1.742 53.767 52.037 -0.020 0.000 0.627 329 A CB -0.475 18.511 19.000 -0.023 0.000 0.815 329 A HN 0.373 nan 8.150 nan 0.000 0.443 330 K N -1.501 118.835 120.400 -0.106 0.000 2.026 330 K HA -0.179 4.116 4.320 -0.042 0.000 0.208 330 K C 1.611 177.984 176.600 -0.379 0.000 1.048 330 K CA 1.830 57.967 56.287 -0.250 0.000 0.929 330 K CB -0.330 31.984 32.500 -0.310 0.000 0.713 330 K HN 0.528 nan 8.250 nan 0.000 0.439 331 Y N 1.024 121.162 120.300 -0.270 0.000 2.519 331 Y HA 0.038 4.563 4.550 -0.041 0.000 0.287 331 Y C 2.119 177.804 175.900 -0.358 0.000 1.128 331 Y CA 0.401 58.272 58.100 -0.381 0.000 1.282 331 Y CB 0.160 38.056 38.460 -0.942 0.000 1.027 331 Y HN -0.027 nan 8.280 nan 0.000 0.551 332 K N 0.548 120.809 120.400 -0.231 0.000 2.052 332 K HA -0.224 4.071 4.320 -0.042 0.000 0.215 332 K C -0.612 175.596 176.600 -0.654 0.000 1.053 332 K CA 2.234 58.194 56.287 -0.545 0.000 0.934 332 K CB -1.683 30.645 32.500 -0.287 0.000 0.717 332 K HN 0.302 nan 8.250 nan 0.000 0.450 333 P HA -0.144 nan 4.420 nan 0.000 0.217 333 P C 1.009 178.175 177.300 -0.224 0.000 1.150 333 P CA 1.517 64.447 63.100 -0.284 0.000 0.832 333 P CB -0.054 31.531 31.700 -0.192 0.000 0.787 334 E N -0.019 120.090 120.200 -0.153 0.000 2.015 334 E HA -0.135 4.190 4.350 -0.042 0.000 0.191 334 E C 2.328 179.004 176.600 0.126 0.000 0.991 334 E CA 1.269 57.674 56.400 0.009 0.000 0.802 334 E CB -0.704 29.052 29.700 0.094 0.000 0.759 334 E HN 0.495 nan 8.360 nan 0.000 0.447 335 W N 1.489 122.855 121.300 0.111 0.000 2.425 335 W HA -0.040 4.595 4.660 -0.041 0.000 0.277 335 W C 1.113 177.750 176.519 0.197 0.000 1.231 335 W CA 0.565 58.043 57.345 0.222 0.000 1.248 335 W CB -0.421 29.133 29.460 0.156 0.000 1.117 335 W HN 0.031 nan 8.180 nan 0.000 0.568 336 E N 1.198 121.194 120.200 -0.341 0.000 2.152 336 E HA -0.098 4.227 4.350 -0.042 0.000 0.192 336 E C 2.640 179.215 176.600 -0.041 0.000 0.983 336 E CA 1.284 57.497 56.400 -0.312 0.000 0.818 336 E CB -0.213 29.128 29.700 -0.600 0.000 0.758 336 E HN 0.294 nan 8.360 nan 0.000 0.467 337 A N 0.924 123.729 122.820 -0.025 0.000 1.930 337 A HA -0.120 4.175 4.320 -0.042 0.000 0.217 337 A C 2.467 180.103 177.584 0.087 0.000 1.175 337 A CA 0.910 52.953 52.037 0.009 0.000 0.627 337 A CB -0.548 18.450 19.000 -0.003 0.000 0.815 337 A HN 0.091 nan 8.150 nan 0.000 0.443 338 V N -0.625 119.417 119.914 0.213 0.000 2.255 338 V HA -0.248 3.847 4.120 -0.042 0.000 0.247 338 V C 2.513 178.818 176.094 0.351 0.000 1.051 338 V CA 2.113 64.607 62.300 0.324 0.000 1.018 338 V CB -0.906 31.169 31.823 0.419 0.000 0.641 338 V HN 0.418 nan 8.190 nan 0.000 0.445 339 V N 0.076 120.250 119.914 0.434 0.000 2.407 339 V HA -0.201 3.894 4.120 -0.042 0.000 0.248 339 V C 2.544 178.759 176.094 0.202 0.000 1.055 339 V CA 2.163 64.697 62.300 0.390 0.000 1.049 339 V CB -0.452 31.659 31.823 0.480 0.000 0.662 339 V HN 0.515 nan 8.190 nan 0.000 0.455 340 A N -0.362 122.528 122.820 0.117 0.000 1.902 340 A HA -0.256 4.039 4.320 -0.042 0.000 0.217 340 A C 2.358 179.922 177.584 -0.033 0.000 1.181 340 A CA 2.221 54.277 52.037 0.031 0.000 0.623 340 A CB -0.578 18.418 19.000 -0.007 0.000 0.818 340 A HN 0.623 nan 8.150 nan 0.000 0.443 341 K N -2.134 118.197 120.400 -0.115 0.000 2.062 341 K HA -0.098 4.197 4.320 -0.042 0.000 0.205 341 K C 1.540 177.914 176.600 -0.376 0.000 1.051 341 K CA 1.503 57.585 56.287 -0.341 0.000 0.941 341 K CB -0.184 31.945 32.500 -0.620 0.000 0.719 341 K HN 0.540 nan 8.250 nan 0.000 0.440 342 Y N -0.268 120.032 120.300 0.001 0.000 2.524 342 Y HA 0.198 4.723 4.550 -0.041 0.000 0.270 342 Y C 2.235 178.133 175.900 -0.004 0.000 1.094 342 Y CA 0.062 58.146 58.100 -0.027 0.000 1.276 342 Y CB 0.007 38.411 38.460 -0.094 0.000 1.130 342 Y HN -0.036 nan 8.280 nan 0.000 0.536 343 R N 1.307 121.913 120.500 0.177 0.000 2.073 343 R HA -0.107 4.208 4.340 -0.042 0.000 0.234 343 R C -0.868 175.487 176.300 0.090 0.000 1.134 343 R CA 1.521 57.705 56.100 0.139 0.000 0.952 343 R CB -1.377 29.016 30.300 0.154 0.000 0.850 343 R HN 0.188 nan 8.270 nan 0.000 0.433 344 P HA -0.155 nan 4.420 nan 0.000 0.222 344 P C 0.406 177.730 177.300 0.039 0.000 1.142 344 P CA 1.412 64.536 63.100 0.040 0.000 0.788 344 P CB -0.190 31.521 31.700 0.019 0.000 0.767 345 R N -0.927 119.605 120.500 0.054 0.000 2.173 345 R HA 0.206 4.521 4.340 -0.042 0.000 0.208 345 R C 2.151 178.482 176.300 0.052 0.000 1.035 345 R CA 0.540 56.675 56.100 0.057 0.000 1.004 345 R CB -0.182 30.171 30.300 0.089 0.000 0.917 345 R HN 0.253 nan 8.270 nan 0.000 0.462 346 L N 0.214 121.471 121.223 0.057 0.000 2.664 346 L HA 0.160 4.475 4.340 -0.042 0.000 0.233 346 L C 0.262 177.158 176.870 0.044 0.000 1.113 346 L CA -0.280 54.584 54.840 0.040 0.000 0.896 346 L CB 0.324 42.400 42.059 0.029 0.000 1.163 346 L HN 0.004 nan 8.230 nan 0.000 0.497 347 E N 1.063 121.293 120.200 0.050 0.000 2.652 347 E HA 0.081 4.406 4.350 -0.042 0.000 0.255 347 E C 1.299 177.918 176.600 0.030 0.000 0.952 347 E CA 1.243 57.670 56.400 0.046 0.000 0.947 347 E CB 0.223 29.949 29.700 0.043 0.000 0.912 347 E HN 0.330 nan 8.360 nan 0.000 0.489 348 G N 3.857 112.674 108.800 0.028 0.000 2.189 348 G HA2 -0.300 3.635 3.960 -0.042 0.000 0.267 348 G HA3 -0.300 3.635 3.960 -0.042 0.000 0.267 348 G C 0.011 174.911 174.900 -0.001 0.000 0.975 348 G CA 0.469 45.576 45.100 0.013 0.000 0.644 348 G HN 0.466 nan 8.290 nan 0.000 0.537 349 K N 0.580 120.980 120.400 -0.000 0.000 2.326 349 K HA 0.422 4.717 4.320 -0.042 0.000 0.275 349 K C 0.715 177.289 176.600 -0.043 0.000 1.018 349 K CA -0.115 56.158 56.287 -0.023 0.000 0.962 349 K CB 0.754 33.242 32.500 -0.021 0.000 0.953 349 K HN 0.423 nan 8.250 nan 0.000 0.475 350 R N 0.812 121.269 120.500 -0.071 0.000 2.393 350 R HA 0.444 4.759 4.340 -0.042 0.000 0.310 350 R C -0.570 175.642 176.300 -0.147 0.000 0.968 350 R CA -0.740 55.302 56.100 -0.096 0.000 0.867 350 R CB 1.434 31.689 30.300 -0.075 0.000 1.124 350 R HN 0.202 nan 8.270 nan 0.000 0.450 351 V N 3.871 123.659 119.914 -0.209 0.000 2.555 351 V HA 0.463 4.558 4.120 -0.042 0.000 0.302 351 V C -0.081 175.879 176.094 -0.224 0.000 1.038 351 V CA -0.756 61.369 62.300 -0.293 0.000 0.887 351 V CB 1.942 33.409 31.823 -0.593 0.000 0.991 351 V HN 0.688 nan 8.190 nan 0.000 0.434 352 M N 4.968 124.470 119.600 -0.163 0.000 2.294 352 M HA 0.626 5.081 4.480 -0.042 0.000 0.335 352 M C -1.328 174.976 176.300 0.007 0.000 1.079 352 M CA -0.424 54.861 55.300 -0.025 0.000 0.982 352 M CB 1.906 34.539 32.600 0.055 0.000 1.651 352 M HN 0.461 nan 8.290 nan 0.000 0.437 353 L N 2.713 123.972 121.223 0.061 0.000 2.341 353 L HA 0.595 4.909 4.340 -0.042 0.000 0.267 353 L C -1.511 175.475 176.870 0.193 0.000 1.009 353 L CA -0.944 53.922 54.840 0.043 0.000 0.819 353 L CB 2.185 44.173 42.059 -0.118 0.000 1.323 353 L HN 0.552 nan 8.230 nan 0.000 0.425 354 Y N 2.918 123.232 120.300 0.024 0.000 2.287 354 Y HA 0.648 5.172 4.550 -0.043 0.000 0.325 354 Y C -1.182 174.695 175.900 -0.037 0.000 1.139 354 Y CA -0.706 57.362 58.100 -0.053 0.000 1.167 354 Y CB 0.783 39.110 38.460 -0.221 0.000 1.158 354 Y HN 0.414 nan 8.280 nan 0.000 0.434 355 I N 2.213 122.433 120.570 -0.583 0.000 3.850 355 I HA 0.661 4.806 4.170 -0.042 0.000 0.272 355 I C 0.981 176.683 176.117 -0.691 0.000 1.109 355 I CA -0.735 60.232 61.300 -0.554 0.000 1.282 355 I CB 0.847 38.558 38.000 -0.482 0.000 1.337 355 I HN 0.562 nan 8.210 nan 0.000 0.438 356 G N -0.420 108.018 108.800 -0.603 0.000 2.682 356 G HA2 0.329 4.263 3.960 -0.042 0.000 0.221 356 G HA3 0.329 4.263 3.960 -0.042 0.000 0.221 356 G C 0.927 175.125 174.900 -1.170 0.000 1.386 356 G CA 0.783 45.370 45.100 -0.855 0.000 0.909 356 G HN 0.769 nan 8.290 nan 0.000 0.558 357 G N -1.194 107.271 108.800 -0.558 0.000 3.581 357 G HA2 0.384 4.319 3.960 -0.042 0.000 0.248 357 G HA3 0.384 4.319 3.960 -0.042 0.000 0.248 357 G C 0.663 175.584 174.900 0.034 0.000 1.037 357 G CA 0.692 45.673 45.100 -0.198 0.000 0.902 357 G HN 0.411 nan 8.290 nan 0.000 0.512 358 L N -0.575 120.667 121.223 0.032 0.000 2.692 358 L HA 0.440 4.755 4.340 -0.042 0.000 0.175 358 L C 2.242 179.066 176.870 -0.078 0.000 1.112 358 L CA 0.428 55.242 54.840 -0.043 0.000 0.908 358 L CB -0.296 41.668 42.059 -0.158 0.000 1.672 358 L HN -0.103 nan 8.230 nan 0.000 0.500 359 R N 0.650 121.084 120.500 -0.110 0.000 2.139 359 R HA -0.112 4.203 4.340 -0.042 0.000 0.243 359 R C -0.756 175.386 176.300 -0.265 0.000 1.145 359 R CA 1.622 57.632 56.100 -0.149 0.000 0.976 359 R CB -2.102 28.121 30.300 -0.129 0.000 0.866 359 R HN 0.400 nan 8.270 nan 0.000 0.449 360 P HA -0.190 nan 4.420 nan 0.000 0.218 360 P C 1.277 178.284 177.300 -0.488 0.000 1.146 360 P CA 1.574 64.278 63.100 -0.660 0.000 0.813 360 P CB -0.135 30.738 31.700 -1.378 0.000 0.778 361 R N -2.179 118.144 120.500 -0.295 0.000 2.191 361 R HA 0.078 4.393 4.340 -0.042 0.000 0.196 361 R C 2.045 178.321 176.300 -0.040 0.000 0.991 361 R CA 0.392 56.423 56.100 -0.115 0.000 1.075 361 R CB -1.080 29.233 30.300 0.021 0.000 1.040 361 R HN 0.178 nan 8.270 nan 0.000 0.526 362 H N 0.967 119.937 119.070 -0.167 0.000 2.491 362 H HA -0.023 4.508 4.556 -0.041 0.000 0.290 362 H C 1.700 176.893 175.328 -0.225 0.000 1.050 362 H CA 1.616 57.584 56.048 -0.134 0.000 1.309 362 H CB 0.693 30.426 29.762 -0.048 0.000 1.392 362 H HN 0.252 nan 8.280 nan 0.000 0.554 363 V N -1.893 117.844 119.914 -0.295 0.000 3.650 363 V HA -0.037 4.058 4.120 -0.042 0.000 0.271 363 V C 1.986 178.027 176.094 -0.088 0.000 1.281 363 V CA 0.118 62.160 62.300 -0.430 0.000 1.120 363 V CB -0.355 31.159 31.823 -0.516 0.000 0.856 363 V HN 0.148 nan 8.190 nan 0.000 0.443 364 I N 3.025 123.580 120.570 -0.026 0.000 2.194 364 I HA -0.153 3.992 4.170 -0.042 0.000 0.246 364 I C 2.704 178.848 176.117 0.045 0.000 1.093 364 I CA 2.091 63.418 61.300 0.046 0.000 1.355 364 I CB -1.982 35.996 38.000 -0.036 0.000 1.046 364 I HN 0.440 nan 8.210 nan 0.000 0.413 365 G N 0.439 109.211 108.800 -0.047 0.000 2.422 365 G HA2 -0.134 3.801 3.960 -0.042 0.000 0.218 365 G HA3 -0.134 3.801 3.960 -0.042 0.000 0.218 365 G C 1.857 176.714 174.900 -0.072 0.000 1.146 365 G CA 0.945 46.002 45.100 -0.071 0.000 0.769 365 G HN 0.511 nan 8.290 nan 0.000 0.547 366 A N -0.001 122.742 122.820 -0.127 0.000 1.930 366 A HA 0.063 4.358 4.320 -0.042 0.000 0.217 366 A C 2.198 179.833 177.584 0.085 0.000 1.175 366 A CA 1.335 53.277 52.037 -0.158 0.000 0.627 366 A CB -0.566 18.053 19.000 -0.635 0.000 0.815 366 A HN 0.368 nan 8.150 nan 0.000 0.443 367 Y N 0.312 120.698 120.300 0.145 0.000 2.181 367 Y HA -0.158 4.367 4.550 -0.042 0.000 0.288 367 Y C 2.469 178.444 175.900 0.124 0.000 1.146 367 Y CA 1.791 60.012 58.100 0.203 0.000 1.164 367 Y CB -0.300 38.221 38.460 0.102 0.000 0.982 367 Y HN 0.431 nan 8.280 nan 0.000 0.515 368 E N -0.347 119.976 120.200 0.204 0.000 2.150 368 E HA -0.186 4.139 4.350 -0.042 0.000 0.193 368 E C 1.343 178.008 176.600 0.108 0.000 0.985 368 E CA 1.088 57.559 56.400 0.118 0.000 0.814 368 E CB -0.118 29.614 29.700 0.054 0.000 0.752 368 E HN 0.467 nan 8.360 nan 0.000 0.466 369 D N 0.313 120.775 120.400 0.104 0.000 2.350 369 D HA -0.080 4.535 4.640 -0.042 0.000 0.216 369 D C 1.157 177.614 176.300 0.261 0.000 0.968 369 D CA 0.780 54.845 54.000 0.109 0.000 0.894 369 D CB 0.210 40.976 40.800 -0.056 0.000 0.909 369 D HN 0.200 nan 8.370 nan 0.000 0.520 370 L N -0.610 120.776 121.223 0.272 0.000 2.872 370 L HA 0.247 4.562 4.340 -0.042 0.000 0.245 370 L C 1.214 178.180 176.870 0.160 0.000 1.211 370 L CA -0.162 54.817 54.840 0.232 0.000 1.013 370 L CB 0.347 42.516 42.059 0.182 0.000 1.326 370 L HN -0.013 nan 8.230 nan 0.000 0.525 371 G N 0.521 109.405 108.800 0.140 0.000 2.187 371 G HA2 -0.320 3.615 3.960 -0.042 0.000 0.261 371 G HA3 -0.320 3.615 3.960 -0.042 0.000 0.261 371 G C 0.234 175.188 174.900 0.090 0.000 1.000 371 G CA 0.451 45.611 45.100 0.100 0.000 0.718 371 G HN 0.341 nan 8.290 nan 0.000 0.519 372 M N -0.003 119.672 119.600 0.125 0.000 2.528 372 M HA 0.567 5.022 4.480 -0.042 0.000 0.318 372 M C 0.334 176.674 176.300 0.067 0.000 1.195 372 M CA -0.600 54.761 55.300 0.103 0.000 1.000 372 M CB 1.419 34.131 32.600 0.185 0.000 1.615 372 M HN 0.418 nan 8.290 nan 0.000 0.469 373 E N 0.284 120.482 120.200 -0.003 0.000 2.238 373 E HA 0.590 4.915 4.350 -0.042 0.000 0.267 373 E C -1.572 174.963 176.600 -0.107 0.000 0.887 373 E CA -1.058 55.322 56.400 -0.034 0.000 0.769 373 E CB 1.838 31.522 29.700 -0.028 0.000 1.187 373 E HN 0.362 nan 8.360 nan 0.000 0.416 374 V N 3.636 123.477 119.914 -0.121 0.000 2.348 374 V HA 0.062 4.157 4.120 -0.042 0.000 0.270 374 V C 0.981 177.005 176.094 -0.115 0.000 1.037 374 V CA -0.373 61.821 62.300 -0.176 0.000 0.872 374 V CB 0.882 32.589 31.823 -0.192 0.000 1.002 374 V HN 0.765 nan 8.190 nan 0.000 0.464 375 V N 1.992 121.845 119.914 -0.102 0.000 3.506 375 V HA 0.584 4.679 4.120 -0.042 0.000 0.263 375 V C 0.796 176.864 176.094 -0.044 0.000 1.203 375 V CA 0.862 63.122 62.300 -0.066 0.000 1.133 375 V CB -0.150 31.638 31.823 -0.057 0.000 0.802 375 V HN 0.820 nan 8.190 nan 0.000 0.459 376 G N -1.467 107.312 108.800 -0.035 0.000 2.732 376 G HA2 0.554 4.489 3.960 -0.042 0.000 0.296 376 G HA3 0.554 4.489 3.960 -0.042 0.000 0.296 376 G C -1.289 173.570 174.900 -0.067 0.000 1.448 376 G CA 0.190 45.304 45.100 0.023 0.000 0.911 376 G HN 0.235 nan 8.290 nan 0.000 0.528 377 T N -1.107 113.246 114.554 -0.336 0.000 2.840 377 T HA 0.863 5.188 4.350 -0.042 0.000 0.317 377 T C -0.327 173.840 174.700 -0.888 0.000 1.401 377 T CA 0.419 62.255 62.100 -0.439 0.000 1.028 377 T CB 1.767 70.426 68.868 -0.348 0.000 1.317 377 T HN 1.941 nan 8.240 nan 0.000 0.495 378 G N 1.037 109.456 108.800 -0.636 0.000 2.576 378 G HA2 0.610 4.545 3.960 -0.042 0.000 0.290 378 G HA3 0.610 4.545 3.960 -0.042 0.000 0.290 378 G C -2.556 172.191 174.900 -0.256 0.000 1.442 378 G CA -0.551 44.329 45.100 -0.368 0.000 0.792 378 G HN 0.592 nan 8.290 nan 0.000 0.491 379 Y N -0.352 119.909 120.300 -0.065 0.000 2.499 379 Y HA 0.453 4.978 4.550 -0.043 0.000 0.347 379 Y C 1.324 177.074 175.900 -0.249 0.000 0.987 379 Y CA -0.819 57.061 58.100 -0.366 0.000 1.044 379 Y CB 2.548 40.791 38.460 -0.362 0.000 1.245 379 Y HN 0.654 nan 8.280 nan 0.000 0.461 380 E N 1.380 121.349 120.200 -0.386 0.000 2.046 380 E HA -0.106 4.219 4.350 -0.042 0.000 0.190 380 E C 0.262 176.955 176.600 0.154 0.000 0.982 380 E CA 1.593 57.966 56.400 -0.045 0.000 0.800 380 E CB 0.026 29.723 29.700 -0.006 0.000 0.756 380 E HN 0.689 nan 8.360 nan 0.000 0.449 381 F N -1.899 118.153 119.950 0.169 0.000 2.880 381 F HA 0.571 5.074 4.527 -0.040 0.000 0.328 381 F C 0.256 176.176 175.800 0.201 0.000 1.146 381 F CA -1.021 57.083 58.000 0.173 0.000 1.135 381 F CB -0.350 38.729 39.000 0.132 0.000 1.151 381 F HN -0.211 nan 8.300 nan 0.000 0.523 382 A N 1.012 123.862 122.820 0.049 0.000 2.475 382 A HA 0.441 4.736 4.320 -0.042 0.000 0.239 382 A C -0.341 177.424 177.584 0.300 0.000 1.087 382 A CA 0.353 52.334 52.037 -0.093 0.000 0.779 382 A CB -0.042 18.336 19.000 -1.037 0.000 1.036 382 A HN 0.546 nan 8.150 nan 0.000 0.506 383 H N -0.695 118.385 119.070 0.016 0.000 2.771 383 H HA 0.356 4.886 4.556 -0.043 0.000 0.344 383 H C 0.837 176.262 175.328 0.163 0.000 1.260 383 H CA -1.041 55.081 56.048 0.123 0.000 1.276 383 H CB 0.496 30.326 29.762 0.114 0.000 1.881 383 H HN 0.715 nan 8.280 nan 0.000 0.615 384 N N 0.267 119.134 118.700 0.279 0.000 2.223 384 N HA -0.158 4.557 4.740 -0.042 0.000 0.185 384 N C 0.828 176.435 175.510 0.162 0.000 1.016 384 N CA 1.371 54.551 53.050 0.216 0.000 0.863 384 N CB 0.014 38.567 38.487 0.110 0.000 0.983 384 N HN 0.616 nan 8.380 nan 0.000 0.429 385 D N -0.061 120.421 120.400 0.136 0.000 2.264 385 D HA -0.144 4.471 4.640 -0.042 0.000 0.208 385 D C 0.845 177.121 176.300 -0.039 0.000 0.966 385 D CA 1.007 55.044 54.000 0.062 0.000 0.864 385 D CB -0.311 40.563 40.800 0.123 0.000 0.933 385 D HN 0.228 nan 8.370 nan 0.000 0.499 386 D N -0.336 120.019 120.400 -0.076 0.000 2.137 386 D HA -0.112 4.503 4.640 -0.042 0.000 0.202 386 D C 1.743 177.844 176.300 -0.332 0.000 0.970 386 D CA 0.764 54.584 54.000 -0.299 0.000 0.837 386 D CB -0.331 40.100 40.800 -0.616 0.000 0.981 386 D HN 0.297 nan 8.370 nan 0.000 0.475 387 Y N 1.868 122.088 120.300 -0.134 0.000 2.293 387 Y HA -0.127 4.398 4.550 -0.042 0.000 0.291 387 Y C 2.127 178.008 175.900 -0.032 0.000 1.137 387 Y CA 0.827 58.900 58.100 -0.046 0.000 1.202 387 Y CB -0.139 38.298 38.460 -0.037 0.000 0.990 387 Y HN -0.099 nan 8.280 nan 0.000 0.537 388 D N -0.084 120.367 120.400 0.086 0.000 2.104 388 D HA -0.159 4.456 4.640 -0.042 0.000 0.194 388 D C 2.145 178.436 176.300 -0.016 0.000 0.994 388 D CA 1.259 55.276 54.000 0.028 0.000 0.830 388 D CB -0.322 40.479 40.800 0.002 0.000 0.959 388 D HN 0.299 nan 8.370 nan 0.000 0.452 389 R N 0.057 120.519 120.500 -0.063 0.000 2.096 389 R HA -0.055 4.260 4.340 -0.042 0.000 0.235 389 R C 2.332 178.607 176.300 -0.042 0.000 1.127 389 R CA 1.417 57.466 56.100 -0.084 0.000 0.968 389 R CB -0.258 29.953 30.300 -0.148 0.000 0.861 389 R HN 0.154 nan 8.270 nan 0.000 0.440 390 T N 0.849 115.394 114.554 -0.014 0.000 2.777 390 T HA -0.101 4.224 4.350 -0.042 0.000 0.266 390 T C 1.796 176.502 174.700 0.010 0.000 1.040 390 T CA 1.175 63.283 62.100 0.013 0.000 1.141 390 T CB -0.064 68.844 68.868 0.066 0.000 0.868 390 T HN 0.180 nan 8.240 nan 0.000 0.444 391 M N 1.025 120.643 119.600 0.031 0.000 2.202 391 M HA -0.089 4.365 4.480 -0.042 0.000 0.262 391 M C 2.138 178.433 176.300 -0.008 0.000 1.063 391 M CA 1.253 56.563 55.300 0.018 0.000 1.097 391 M CB -0.398 32.218 32.600 0.027 0.000 1.382 391 M HN 0.100 nan 8.290 nan 0.000 0.413 392 K N 0.185 120.575 120.400 -0.018 0.000 2.280 392 K HA -0.111 4.184 4.320 -0.042 0.000 0.202 392 K C 1.424 178.003 176.600 -0.035 0.000 1.047 392 K CA 1.016 57.285 56.287 -0.029 0.000 0.942 392 K CB -0.263 32.213 32.500 -0.039 0.000 0.739 392 K HN 0.455 nan 8.250 nan 0.000 0.457 393 E N -0.440 119.738 120.200 -0.038 0.000 2.389 393 E HA 0.130 4.455 4.350 -0.042 0.000 0.199 393 E C 0.822 177.394 176.600 -0.045 0.000 0.978 393 E CA 0.216 56.588 56.400 -0.046 0.000 0.912 393 E CB 0.331 29.998 29.700 -0.056 0.000 0.907 393 E HN 0.142 nan 8.360 nan 0.000 0.494 394 M N 0.233 119.808 119.600 -0.041 0.000 2.471 394 M HA 0.394 4.849 4.480 -0.042 0.000 0.309 394 M C 0.839 177.117 176.300 -0.037 0.000 1.186 394 M CA -0.556 54.716 55.300 -0.047 0.000 1.008 394 M CB 0.888 33.456 32.600 -0.053 0.000 1.551 394 M HN -0.138 nan 8.290 nan 0.000 0.477 395 G N 0.092 108.869 108.800 -0.039 0.000 2.537 395 G HA2 0.158 4.092 3.960 -0.042 0.000 0.273 395 G HA3 0.158 4.092 3.960 -0.042 0.000 0.273 395 G C -0.479 174.403 174.900 -0.029 0.000 1.189 395 G CA -0.376 44.705 45.100 -0.031 0.000 0.881 395 G HN 0.714 nan 8.290 nan 0.000 0.535 396 D N -0.694 119.692 120.400 -0.024 0.000 2.372 396 D HA 0.120 4.735 4.640 -0.042 0.000 0.243 396 D C 0.764 177.048 176.300 -0.026 0.000 1.121 396 D CA 0.610 54.596 54.000 -0.023 0.000 0.898 396 D CB 0.836 41.625 40.800 -0.018 0.000 1.202 396 D HN 0.321 nan 8.370 nan 0.000 0.428 397 S N 0.193 115.877 115.700 -0.027 0.000 3.261 397 S HA -0.176 4.269 4.470 -0.042 0.000 0.287 397 S C 0.437 175.014 174.600 -0.039 0.000 1.281 397 S CA 1.194 59.376 58.200 -0.030 0.000 1.053 397 S CB -1.835 61.350 63.200 -0.025 0.000 1.251 397 S HN 0.809 nan 8.310 nan 0.000 0.659 398 T N 0.103 114.631 114.554 -0.043 0.000 2.904 398 T HA 0.655 4.980 4.350 -0.042 0.000 0.290 398 T C -0.008 174.654 174.700 -0.063 0.000 1.018 398 T CA -0.872 61.196 62.100 -0.053 0.000 1.075 398 T CB 1.326 70.159 68.868 -0.058 0.000 0.986 398 T HN 0.201 nan 8.240 nan 0.000 0.523 399 L N 1.952 123.135 121.223 -0.066 0.000 2.331 399 L HA 0.538 4.853 4.340 -0.042 0.000 0.278 399 L C -1.131 175.669 176.870 -0.117 0.000 1.106 399 L CA -0.625 54.168 54.840 -0.078 0.000 0.824 399 L CB 0.194 42.195 42.059 -0.096 0.000 1.142 399 L HN 0.593 nan 8.230 nan 0.000 0.443 400 L N 6.919 128.071 121.223 -0.118 0.000 2.333 400 L HA 0.505 4.820 4.340 -0.042 0.000 0.280 400 L C -1.199 175.615 176.870 -0.093 0.000 1.004 400 L CA -0.202 54.529 54.840 -0.182 0.000 0.820 400 L CB 1.348 43.380 42.059 -0.044 0.000 1.247 400 L HN 0.556 nan 8.230 nan 0.000 0.416 401 Y N -0.411 119.951 120.300 0.104 0.000 2.331 401 Y HA 0.626 5.150 4.550 -0.042 0.000 0.326 401 Y C -0.733 175.334 175.900 0.279 0.000 1.020 401 Y CA -1.739 56.449 58.100 0.146 0.000 1.136 401 Y CB 1.047 39.587 38.460 0.134 0.000 1.157 401 Y HN 0.585 nan 8.280 nan 0.000 0.444 402 D N 2.657 123.276 120.400 0.365 0.000 2.198 402 D HA 0.241 4.856 4.640 -0.042 0.000 0.245 402 D C -0.216 176.333 176.300 0.414 0.000 1.079 402 D CA -0.024 54.236 54.000 0.435 0.000 0.854 402 D CB 0.950 41.924 40.800 0.290 0.000 1.148 402 D HN 0.732 nan 8.370 nan 0.000 0.456 403 D N 2.504 123.175 120.400 0.452 0.000 2.697 403 D HA -0.206 4.409 4.640 -0.042 0.000 0.235 403 D C -0.696 175.727 176.300 0.206 0.000 1.167 403 D CA 0.292 54.501 54.000 0.349 0.000 0.656 403 D CB -0.772 40.152 40.800 0.207 0.000 1.025 403 D HN 0.180 nan 8.370 nan 0.000 0.419 404 V N 1.107 121.091 119.914 0.118 0.000 2.788 404 V HA 0.226 4.321 4.120 -0.042 0.000 0.307 404 V C 1.333 177.387 176.094 -0.067 0.000 1.069 404 V CA 0.837 63.086 62.300 -0.086 0.000 1.173 404 V CB 0.908 32.428 31.823 -0.505 0.000 0.925 404 V HN 0.531 nan 8.190 nan 0.000 0.492 405 T N 3.490 118.050 114.554 0.011 0.000 2.849 405 T HA 0.417 4.742 4.350 -0.042 0.000 0.284 405 T C 1.385 176.127 174.700 0.071 0.000 1.004 405 T CA -0.080 62.068 62.100 0.080 0.000 1.021 405 T CB 1.341 70.323 68.868 0.190 0.000 1.013 405 T HN 0.923 nan 8.240 nan 0.000 0.527 406 G N -0.036 108.838 108.800 0.124 0.000 2.469 406 G HA2 -0.269 3.666 3.960 -0.042 0.000 0.219 406 G HA3 -0.269 3.666 3.960 -0.042 0.000 0.219 406 G C 1.153 176.117 174.900 0.106 0.000 1.150 406 G CA 1.089 46.273 45.100 0.139 0.000 0.763 406 G HN 0.872 nan 8.290 nan 0.000 0.561 407 Y N 1.498 121.790 120.300 -0.012 0.000 2.097 407 Y HA -0.120 4.405 4.550 -0.042 0.000 0.282 407 Y C 2.739 178.531 175.900 -0.181 0.000 1.152 407 Y CA 2.292 60.344 58.100 -0.079 0.000 1.136 407 Y CB -0.389 38.030 38.460 -0.070 0.000 0.975 407 Y HN 0.380 nan 8.280 nan 0.000 0.498 408 E N -0.649 119.296 120.200 -0.425 0.000 2.051 408 E HA -0.209 4.116 4.350 -0.042 0.000 0.192 408 E C 2.052 178.048 176.600 -1.005 0.000 0.991 408 E CA 1.298 57.159 56.400 -0.898 0.000 0.799 408 E CB -0.471 28.871 29.700 -0.596 0.000 0.748 408 E HN 0.426 nan 8.360 nan 0.000 0.449 409 F N 2.157 121.738 119.950 -0.615 0.000 2.069 409 F HA -0.213 4.288 4.527 -0.043 0.000 0.298 409 F C 2.273 177.964 175.800 -0.181 0.000 1.113 409 F CA 1.766 59.538 58.000 -0.380 0.000 1.214 409 F CB -0.598 38.294 39.000 -0.180 0.000 0.978 409 F HN 0.023 nan 8.300 nan 0.000 0.474 410 E N -0.212 119.984 120.200 -0.008 0.000 2.097 410 E HA -0.238 4.087 4.350 -0.042 0.000 0.196 410 E C 2.028 178.548 176.600 -0.132 0.000 1.000 410 E CA 1.647 58.039 56.400 -0.014 0.000 0.804 410 E CB -0.041 29.603 29.700 -0.093 0.000 0.740 410 E HN 0.348 nan 8.360 nan 0.000 0.454 411 E N -0.047 119.934 120.200 -0.365 0.000 2.072 411 E HA -0.147 4.178 4.350 -0.042 0.000 0.191 411 E C 1.985 178.509 176.600 -0.126 0.000 0.985 411 E CA 0.728 56.920 56.400 -0.346 0.000 0.801 411 E CB -0.389 28.927 29.700 -0.640 0.000 0.750 411 E HN 0.335 nan 8.360 nan 0.000 0.452 412 F N 0.840 120.705 119.950 -0.142 0.000 2.134 412 F HA -0.148 4.354 4.527 -0.042 0.000 0.299 412 F C 2.543 178.285 175.800 -0.097 0.000 1.097 412 F CA 0.425 58.360 58.000 -0.109 0.000 1.264 412 F CB -1.334 37.581 39.000 -0.143 0.000 1.001 412 F HN -0.151 nan 8.300 nan 0.000 0.479 413 V N 0.025 119.972 119.914 0.056 0.000 2.343 413 V HA -0.276 3.819 4.120 -0.042 0.000 0.247 413 V C 2.379 178.462 176.094 -0.018 0.000 1.051 413 V CA 1.720 63.983 62.300 -0.062 0.000 1.036 413 V CB -0.637 31.049 31.823 -0.229 0.000 0.654 413 V HN 0.267 nan 8.190 nan 0.000 0.451 414 K N -0.678 119.722 120.400 0.001 0.000 2.152 414 K HA -0.166 4.129 4.320 -0.042 0.000 0.206 414 K C 2.487 179.090 176.600 0.004 0.000 1.048 414 K CA 1.062 57.349 56.287 -0.000 0.000 0.933 414 K CB -0.145 32.347 32.500 -0.014 0.000 0.721 414 K HN 0.227 nan 8.250 nan 0.000 0.447 415 R N 0.793 121.306 120.500 0.021 0.000 2.052 415 R HA 0.059 4.374 4.340 -0.042 0.000 0.226 415 R C 2.201 178.509 176.300 0.013 0.000 1.145 415 R CA 1.070 57.185 56.100 0.025 0.000 0.952 415 R CB -0.364 29.968 30.300 0.054 0.000 0.847 415 R HN 0.190 nan 8.270 nan 0.000 0.431 416 I N 1.102 121.680 120.570 0.015 0.000 2.676 416 I HA -0.146 3.999 4.170 -0.042 0.000 0.259 416 I C 0.275 176.377 176.117 -0.025 0.000 1.194 416 I CA 0.584 61.880 61.300 -0.006 0.000 1.473 416 I CB -0.119 37.879 38.000 -0.004 0.000 1.096 416 I HN 0.129 nan 8.210 nan 0.000 0.443 417 K N 0.849 121.230 120.400 -0.031 0.000 3.689 417 K HA -0.157 4.138 4.320 -0.042 0.000 0.276 417 K C -2.139 174.420 176.600 -0.067 0.000 0.932 417 K CA -0.266 55.993 56.287 -0.046 0.000 0.758 417 K CB -1.431 31.051 32.500 -0.030 0.000 1.500 417 K HN 0.326 nan 8.250 nan 0.000 0.448 418 P HA -0.038 nan 4.420 nan 0.000 0.269 418 P C -0.065 177.157 177.300 -0.131 0.000 1.215 418 P CA 0.098 63.131 63.100 -0.112 0.000 0.780 418 P CB 0.635 32.254 31.700 -0.135 0.000 0.898 419 D N 0.090 120.412 120.400 -0.130 0.000 2.289 419 D HA 0.069 4.684 4.640 -0.042 0.000 0.207 419 D C 0.480 176.662 176.300 -0.197 0.000 0.966 419 D CA 1.001 54.915 54.000 -0.144 0.000 0.868 419 D CB 0.298 41.035 40.800 -0.105 0.000 0.943 419 D HN 0.177 nan 8.370 nan 0.000 0.514 420 L N 0.402 121.506 121.223 -0.198 0.000 2.472 420 L HA 0.431 4.746 4.340 -0.042 0.000 0.260 420 L C -1.832 174.892 176.870 -0.243 0.000 0.963 420 L CA -0.601 54.106 54.840 -0.222 0.000 0.829 420 L CB 2.577 44.531 42.059 -0.176 0.000 1.348 420 L HN -0.264 nan 8.230 nan 0.000 0.408 421 I N 2.868 123.268 120.570 -0.283 0.000 2.509 421 I HA 0.707 4.852 4.170 -0.042 0.000 0.293 421 I C 0.059 175.852 176.117 -0.540 0.000 1.020 421 I CA -0.658 60.444 61.300 -0.330 0.000 1.088 421 I CB 2.228 40.017 38.000 -0.352 0.000 1.267 421 I HN 0.774 nan 8.210 nan 0.000 0.430 422 G N 2.997 111.568 108.800 -0.382 0.000 2.644 422 G HA2 0.614 4.549 3.960 -0.042 0.000 0.300 422 G HA3 0.614 4.549 3.960 -0.042 0.000 0.300 422 G C -0.903 173.905 174.900 -0.152 0.000 1.395 422 G CA -0.158 44.718 45.100 -0.373 0.000 0.964 422 G HN 0.581 nan 8.290 nan 0.000 0.511 423 S N 0.782 116.408 115.700 -0.123 0.000 3.127 423 S HA 0.830 5.275 4.470 -0.042 0.000 0.314 423 S C 0.438 175.413 174.600 0.625 0.000 1.238 423 S CA 0.258 58.697 58.200 0.399 0.000 1.074 423 S CB 0.546 64.191 63.200 0.741 0.000 1.417 423 S HN 1.171 nan 8.310 nan 0.000 0.597 424 G N 0.593 109.797 108.800 0.673 0.000 2.642 424 G HA2 0.521 4.456 3.960 -0.042 0.000 0.291 424 G HA3 0.521 4.456 3.960 -0.042 0.000 0.291 424 G C 0.548 175.606 174.900 0.264 0.000 1.345 424 G CA -0.220 45.124 45.100 0.408 0.000 1.043 424 G HN 0.603 nan 8.290 nan 0.000 0.528 425 I N -0.649 119.976 120.570 0.091 0.000 2.394 425 I HA 0.012 4.157 4.170 -0.042 0.000 0.251 425 I C 2.384 178.526 176.117 0.042 0.000 1.136 425 I CA 1.320 62.648 61.300 0.047 0.000 1.425 425 I CB -0.039 38.029 38.000 0.113 0.000 1.079 425 I HN 0.451 nan 8.210 nan 0.000 0.425 426 K N -0.004 120.451 120.400 0.092 0.000 2.439 426 K HA -0.074 4.221 4.320 -0.042 0.000 0.197 426 K C 1.361 178.006 176.600 0.075 0.000 1.041 426 K CA 0.849 57.199 56.287 0.105 0.000 0.970 426 K CB 0.088 32.663 32.500 0.125 0.000 0.773 426 K HN 0.315 nan 8.250 nan 0.000 0.479 427 E N 0.549 120.787 120.200 0.063 0.000 2.340 427 E HA 0.003 4.328 4.350 -0.042 0.000 0.198 427 E C 1.455 177.799 176.600 -0.426 0.000 0.961 427 E CA 0.280 56.719 56.400 0.066 0.000 0.905 427 E CB 0.190 30.217 29.700 0.545 0.000 0.884 427 E HN 0.100 nan 8.360 nan 0.000 0.491 428 K N 0.404 120.221 120.400 -0.971 0.000 2.032 428 K HA -0.210 4.085 4.320 -0.042 0.000 0.218 428 K C 1.194 177.179 176.600 -1.025 0.000 1.054 428 K CA 1.870 57.082 56.287 -1.792 0.000 0.941 428 K CB -0.257 31.354 32.500 -1.480 0.000 0.720 428 K HN 0.088 nan 8.250 nan 0.000 0.449 429 F N 0.592 120.349 119.950 -0.321 0.000 2.558 429 F HA 0.071 4.572 4.527 -0.043 0.000 0.298 429 F C 1.895 177.571 175.800 -0.208 0.000 1.119 429 F CA 0.387 58.282 58.000 -0.176 0.000 1.451 429 F CB -0.180 38.757 39.000 -0.105 0.000 1.091 429 F HN 0.027 nan 8.300 nan 0.000 0.563 430 I N -0.972 119.452 120.570 -0.245 0.000 2.142 430 I HA -0.294 3.851 4.170 -0.042 0.000 0.240 430 I C 2.040 177.840 176.117 -0.529 0.000 1.078 430 I CA 1.510 62.526 61.300 -0.473 0.000 1.343 430 I CB -0.502 36.993 38.000 -0.840 0.000 1.046 430 I HN -0.020 nan 8.210 nan 0.000 0.405 431 F N 0.771 120.640 119.950 -0.134 0.000 2.259 431 F HA -0.106 4.396 4.527 -0.042 0.000 0.298 431 F C 2.663 178.464 175.800 0.001 0.000 1.088 431 F CA 0.934 58.885 58.000 -0.081 0.000 1.358 431 F CB -0.810 38.165 39.000 -0.041 0.000 1.040 431 F HN 0.057 nan 8.300 nan 0.000 0.505 432 Q N 0.336 120.239 119.800 0.173 0.000 2.124 432 Q HA -0.209 4.106 4.340 -0.042 0.000 0.202 432 Q C 2.002 178.189 176.000 0.312 0.000 0.977 432 Q CA 1.394 57.404 55.803 0.346 0.000 0.850 432 Q CB -0.229 28.732 28.738 0.372 0.000 0.901 432 Q HN 0.420 nan 8.270 nan 0.000 0.429 433 K N 0.013 120.505 120.400 0.152 0.000 2.217 433 K HA -0.021 4.274 4.320 -0.042 0.000 0.202 433 K C 1.712 178.367 176.600 0.090 0.000 1.051 433 K CA 0.848 57.197 56.287 0.103 0.000 0.952 433 K CB 0.100 32.619 32.500 0.031 0.000 0.736 433 K HN 0.208 nan 8.250 nan 0.000 0.453 434 M N -0.599 119.048 119.600 0.077 0.000 2.618 434 M HA 0.076 4.531 4.480 -0.042 0.000 0.240 434 M C 0.815 177.181 176.300 0.110 0.000 1.123 434 M CA 0.687 56.031 55.300 0.073 0.000 1.060 434 M CB 0.622 33.265 32.600 0.072 0.000 1.535 434 M HN 0.392 nan 8.290 nan 0.000 0.507 435 G N 1.591 110.504 108.800 0.190 0.000 2.141 435 G HA2 -0.230 3.705 3.960 -0.042 0.000 0.242 435 G HA3 -0.230 3.705 3.960 -0.042 0.000 0.242 435 G C -0.062 174.810 174.900 -0.047 0.000 0.982 435 G CA -0.420 44.832 45.100 0.253 0.000 0.662 435 G HN 0.423 nan 8.290 nan 0.000 0.527 436 I N 1.885 122.365 120.570 -0.151 0.000 2.315 436 I HA 0.347 4.492 4.170 -0.042 0.000 0.291 436 I C -1.875 173.817 176.117 -0.708 0.000 1.006 436 I CA -2.441 58.649 61.300 -0.350 0.000 1.265 436 I CB 1.391 39.314 38.000 -0.128 0.000 1.387 436 I HN -0.185 nan 8.210 nan 0.000 0.475 437 P HA -0.133 nan 4.420 nan 0.000 0.257 437 P C -1.053 176.098 177.300 -0.247 0.000 1.153 437 P CA 0.641 63.195 63.100 -0.909 0.000 0.762 437 P CB 0.055 31.342 31.700 -0.689 0.000 0.743 438 F N 4.716 124.594 119.950 -0.119 0.000 2.540 438 F HA 0.575 5.077 4.527 -0.042 0.000 0.317 438 F C -0.214 175.624 175.800 0.064 0.000 1.104 438 F CA -0.800 57.194 58.000 -0.010 0.000 0.913 438 F CB 1.501 40.526 39.000 0.042 0.000 1.170 438 F HN 0.042 nan 8.300 nan 0.000 0.450 439 R N 3.917 124.195 120.500 -0.370 0.000 2.561 439 R HA 0.267 4.582 4.340 -0.042 0.000 0.297 439 R C -1.036 175.141 176.300 -0.205 0.000 0.969 439 R CA -0.845 55.204 56.100 -0.084 0.000 0.879 439 R CB 1.815 32.115 30.300 -0.000 0.000 1.178 439 R HN 0.763 nan 8.270 nan 0.000 0.445 440 E N 3.159 123.462 120.200 0.172 0.000 2.257 440 E HA 0.095 4.420 4.350 -0.042 0.000 0.278 440 E C 0.505 177.263 176.600 0.262 0.000 1.049 440 E CA 0.011 56.571 56.400 0.268 0.000 0.876 440 E CB 0.770 30.586 29.700 0.193 0.000 1.035 440 E HN 0.169 nan 8.360 nan 0.000 0.419 441 M N 2.668 122.420 119.600 0.254 0.000 2.475 441 M HA 0.083 4.538 4.480 -0.042 0.000 0.261 441 M C 0.703 177.007 176.300 0.006 0.000 1.177 441 M CA 0.420 55.915 55.300 0.326 0.000 0.979 441 M CB -0.421 32.320 32.600 0.236 0.000 1.482 441 M HN 0.567 nan 8.290 nan 0.000 0.484 442 H N -0.945 118.029 119.070 -0.160 0.000 2.367 442 H HA 0.179 4.711 4.556 -0.040 0.000 0.304 442 H C 1.616 176.588 175.328 -0.593 0.000 1.023 442 H CA 1.373 57.209 56.048 -0.352 0.000 1.342 442 H CB 0.406 30.079 29.762 -0.148 0.000 1.486 442 H HN 0.344 nan 8.280 nan 0.000 0.596 443 S N -0.511 115.050 115.700 -0.232 0.000 2.593 443 S HA -0.061 4.384 4.470 -0.042 0.000 0.217 443 S C 0.222 174.651 174.600 -0.286 0.000 0.966 443 S CA -0.365 57.643 58.200 -0.321 0.000 0.914 443 S CB -0.778 62.295 63.200 -0.213 0.000 0.776 443 S HN 0.634 nan 8.310 nan 0.000 0.523 444 W N 1.410 122.563 121.300 -0.246 0.000 4.551 444 W HA -0.206 4.431 4.660 -0.038 0.000 0.343 444 W C -0.156 176.195 176.519 -0.280 0.000 1.269 444 W CA 0.008 57.133 57.345 -0.367 0.000 0.799 444 W CB -2.391 26.669 29.460 -0.667 0.000 2.352 444 W HN 0.309 nan 8.180 nan 0.000 1.462 445 D N -0.589 119.709 120.400 -0.169 0.000 2.701 445 D HA -0.256 4.359 4.640 -0.042 0.000 0.235 445 D C 0.221 176.255 176.300 -0.444 0.000 1.155 445 D CA 2.334 56.078 54.000 -0.427 0.000 0.649 445 D CB -1.247 39.555 40.800 0.003 0.000 1.050 445 D HN 0.614 nan 8.370 nan 0.000 0.425 446 Y N -3.322 117.079 120.300 0.170 0.000 4.490 446 Y HA -0.296 4.228 4.550 -0.043 0.000 0.233 446 Y C 1.143 177.139 175.900 0.160 0.000 1.101 446 Y CA 0.994 59.186 58.100 0.154 0.000 2.010 446 Y CB -2.189 36.362 38.460 0.152 0.000 1.622 446 Y HN 0.212 nan 8.280 nan 0.000 0.675 447 S N -1.011 114.784 115.700 0.158 0.000 3.012 447 S HA 0.867 5.312 4.470 -0.042 0.000 0.254 447 S C 0.748 175.409 174.600 0.102 0.000 1.030 447 S CA 0.537 58.835 58.200 0.163 0.000 1.053 447 S CB 1.381 64.689 63.200 0.179 0.000 1.286 447 S HN 1.804 nan 8.310 nan 0.000 0.633 448 G N 1.091 109.925 108.800 0.055 0.000 2.795 448 G HA2 -0.072 3.863 3.960 -0.042 0.000 0.664 448 G HA3 -0.072 3.863 3.960 -0.042 0.000 0.664 448 G C -3.091 171.863 174.900 0.090 0.000 1.381 448 G CA -0.408 44.648 45.100 -0.073 0.000 0.853 448 G HN 0.657 nan 8.290 nan 0.000 0.545 449 P HA 0.265 nan 4.420 nan 0.000 0.272 449 P C -0.260 177.101 177.300 0.102 0.000 1.223 449 P CA 0.036 63.162 63.100 0.044 0.000 0.784 449 P CB 0.466 32.207 31.700 0.068 0.000 0.923 450 Y N -1.048 119.073 120.300 -0.299 0.000 2.458 450 Y HA 0.167 4.693 4.550 -0.040 0.000 0.256 450 Y C 1.414 177.270 175.900 -0.073 0.000 1.159 450 Y CA -0.498 57.432 58.100 -0.282 0.000 1.261 450 Y CB -0.847 37.218 38.460 -0.658 0.000 1.119 450 Y HN 0.434 nan 8.280 nan 0.000 0.524 451 H N -0.640 118.393 119.070 -0.062 0.000 2.551 451 H HA 0.443 4.974 4.556 -0.041 0.000 0.358 451 H C 1.018 176.244 175.328 -0.169 0.000 1.151 451 H CA 0.078 55.979 56.048 -0.246 0.000 1.374 451 H CB 1.038 30.663 29.762 -0.229 0.000 1.473 451 H HN 0.329 nan 8.280 nan 0.000 0.574 452 G N 0.695 109.371 108.800 -0.206 0.000 2.693 452 G HA2 -0.326 3.609 3.960 -0.042 0.000 0.226 452 G HA3 -0.326 3.609 3.960 -0.042 0.000 0.226 452 G C 0.057 174.708 174.900 -0.415 0.000 1.354 452 G CA 0.135 44.929 45.100 -0.511 0.000 0.873 452 G HN 0.476 nan 8.290 nan 0.000 0.562 453 F N 0.318 120.075 119.950 -0.322 0.000 2.163 453 F HA 0.089 4.591 4.527 -0.041 0.000 0.297 453 F C 2.633 178.466 175.800 0.055 0.000 1.094 453 F CA 1.885 59.778 58.000 -0.178 0.000 1.290 453 F CB -0.428 38.330 39.000 -0.404 0.000 1.017 453 F HN 0.396 nan 8.300 nan 0.000 0.483 454 D N -0.277 120.256 120.400 0.222 0.000 2.178 454 D HA -0.102 4.513 4.640 -0.042 0.000 0.201 454 D C 2.520 178.930 176.300 0.183 0.000 0.980 454 D CA 1.377 55.513 54.000 0.226 0.000 0.842 454 D CB -0.870 40.052 40.800 0.204 0.000 0.948 454 D HN 0.318 nan 8.370 nan 0.000 0.472 455 G N -0.217 108.669 108.800 0.144 0.000 2.443 455 G HA2 -0.252 3.683 3.960 -0.042 0.000 0.219 455 G HA3 -0.252 3.683 3.960 -0.042 0.000 0.219 455 G C 1.397 176.368 174.900 0.118 0.000 1.131 455 G CA 0.043 45.224 45.100 0.135 0.000 0.775 455 G HN 0.227 nan 8.290 nan 0.000 0.547 456 F N 2.454 122.404 119.950 0.001 0.000 2.186 456 F HA 0.116 4.618 4.527 -0.042 0.000 0.299 456 F C 2.653 178.484 175.800 0.052 0.000 1.090 456 F CA 0.910 58.915 58.000 0.009 0.000 1.307 456 F CB -0.221 38.798 39.000 0.032 0.000 1.019 456 F HN 0.213 nan 8.300 nan 0.000 0.489 457 A N 0.658 123.488 122.820 0.017 0.000 1.902 457 A HA -0.126 4.169 4.320 -0.042 0.000 0.217 457 A C 2.300 179.765 177.584 -0.198 0.000 1.181 457 A CA 1.939 53.932 52.037 -0.073 0.000 0.623 457 A CB -1.112 17.953 19.000 0.109 0.000 0.818 457 A HN 0.465 nan 8.150 nan 0.000 0.443 458 I N -1.895 118.616 120.570 -0.098 0.000 2.252 458 I HA -0.180 3.965 4.170 -0.042 0.000 0.245 458 I C 2.353 178.282 176.117 -0.313 0.000 1.102 458 I CA 1.423 62.668 61.300 -0.091 0.000 1.385 458 I CB -0.430 37.627 38.000 0.094 0.000 1.064 458 I HN 0.429 nan 8.210 nan 0.000 0.414 459 F N 2.252 121.747 119.950 -0.758 0.000 2.065 459 F HA -0.299 4.202 4.527 -0.042 0.000 0.298 459 F C 2.503 177.772 175.800 -0.885 0.000 1.112 459 F CA 1.622 58.857 58.000 -1.276 0.000 1.212 459 F CB -0.487 37.756 39.000 -1.262 0.000 0.975 459 F HN 0.012 nan 8.300 nan 0.000 0.476 460 A N 0.658 122.894 122.820 -0.973 0.000 1.883 460 A HA -0.244 4.051 4.320 -0.042 0.000 0.217 460 A C 2.412 179.287 177.584 -1.180 0.000 1.186 460 A CA 1.945 53.329 52.037 -1.089 0.000 0.624 460 A CB -1.011 17.375 19.000 -1.023 0.000 0.822 460 A HN 0.527 nan 8.150 nan 0.000 0.444 461 R N -0.430 119.413 120.500 -1.095 0.000 2.083 461 R HA -0.186 4.128 4.340 -0.042 0.000 0.237 461 R C 1.532 177.557 176.300 -0.458 0.000 1.137 461 R CA 2.026 57.629 56.100 -0.828 0.000 0.951 461 R CB -0.393 29.674 30.300 -0.388 0.000 0.851 461 R HN 0.462 nan 8.270 nan 0.000 0.434 462 D N 0.031 120.195 120.400 -0.394 0.000 2.117 462 D HA -0.167 4.448 4.640 -0.042 0.000 0.197 462 D C 1.927 178.071 176.300 -0.260 0.000 0.987 462 D CA 1.193 55.057 54.000 -0.227 0.000 0.829 462 D CB -0.104 40.627 40.800 -0.117 0.000 0.961 462 D HN 0.231 nan 8.370 nan 0.000 0.460 463 M N 0.544 119.848 119.600 -0.493 0.000 2.159 463 M HA -0.114 4.340 4.480 -0.042 0.000 0.263 463 M C 1.826 177.988 176.300 -0.230 0.000 1.063 463 M CA 1.144 56.204 55.300 -0.400 0.000 1.110 463 M CB -0.968 31.257 32.600 -0.626 0.000 1.374 463 M HN 0.001 nan 8.290 nan 0.000 0.411 464 D N 0.710 120.952 120.400 -0.262 0.000 2.084 464 D HA -0.184 4.431 4.640 -0.042 0.000 0.194 464 D C 2.109 178.404 176.300 -0.008 0.000 0.990 464 D CA 1.920 55.862 54.000 -0.097 0.000 0.826 464 D CB -0.177 40.597 40.800 -0.043 0.000 0.971 464 D HN 0.447 nan 8.370 nan 0.000 0.453 465 M N -1.094 118.497 119.600 -0.015 0.000 2.202 465 M HA -0.079 4.376 4.480 -0.042 0.000 0.262 465 M C 1.805 178.177 176.300 0.120 0.000 1.063 465 M CA 1.829 57.163 55.300 0.057 0.000 1.097 465 M CB -0.553 32.076 32.600 0.049 0.000 1.382 465 M HN -0.161 nan 8.290 nan 0.000 0.413 466 T N 1.392 116.019 114.554 0.120 0.000 2.814 466 T HA 0.039 4.364 4.350 -0.042 0.000 0.254 466 T C 1.719 176.578 174.700 0.265 0.000 1.037 466 T CA 1.129 63.377 62.100 0.247 0.000 1.143 466 T CB -0.260 68.718 68.868 0.183 0.000 0.866 466 T HN 0.332 nan 8.240 nan 0.000 0.431 467 L N 2.083 123.350 121.223 0.073 0.000 2.131 467 L HA 0.092 4.407 4.340 -0.042 0.000 0.210 467 L C 0.918 177.844 176.870 0.094 0.000 1.092 467 L CA 1.740 56.575 54.840 -0.008 0.000 0.759 467 L CB -0.858 41.171 42.059 -0.051 0.000 0.903 467 L HN 0.117 nan 8.230 nan 0.000 0.435 468 N N 0.369 119.152 118.700 0.137 0.000 2.321 468 N HA 0.036 4.751 4.740 -0.042 0.000 0.242 468 N C -0.187 175.441 175.510 0.197 0.000 1.141 468 N CA -0.028 53.111 53.050 0.149 0.000 0.864 468 N CB -0.335 38.209 38.487 0.095 0.000 1.100 468 N HN 0.395 nan 8.380 nan 0.000 0.510 469 N N 2.193 121.084 118.700 0.320 0.000 2.497 469 N HA 0.087 4.802 4.740 -0.042 0.000 0.271 469 N C -1.417 174.154 175.510 0.101 0.000 1.142 469 N CA -1.300 51.861 53.050 0.184 0.000 0.965 469 N CB 1.780 40.342 38.487 0.126 0.000 1.077 469 N HN -0.016 nan 8.380 nan 0.000 0.462 470 P HA -0.191 nan 4.420 nan 0.000 0.218 470 P C 1.623 178.873 177.300 -0.083 0.000 1.150 470 P CA 1.188 64.286 63.100 -0.003 0.000 0.841 470 P CB -0.305 31.390 31.700 -0.008 0.000 0.784 471 C N -3.244 115.911 119.300 -0.242 0.000 2.410 471 C HA -0.037 4.398 4.460 -0.042 0.000 0.281 471 C C 2.458 177.215 174.990 -0.389 0.000 1.318 471 C CA -0.329 58.462 59.018 -0.378 0.000 1.776 471 C CB -2.534 24.858 27.740 -0.580 0.000 1.942 471 C HN 0.234 nan 8.230 nan 0.000 0.508 472 W N 1.434 122.752 121.300 0.029 0.000 2.699 472 W HA 0.120 4.754 4.660 -0.043 0.000 0.249 472 W C 2.382 178.908 176.519 0.013 0.000 1.280 472 W CA 0.142 57.502 57.345 0.025 0.000 1.345 472 W CB -0.229 29.249 29.460 0.030 0.000 1.128 472 W HN 0.235 nan 8.180 nan 0.000 0.642 473 K N 0.469 120.953 120.400 0.139 0.000 2.418 473 K HA 0.016 4.311 4.320 -0.042 0.000 0.195 473 K C 1.060 177.684 176.600 0.039 0.000 1.035 473 K CA 0.726 57.067 56.287 0.090 0.000 1.003 473 K CB 0.025 32.563 32.500 0.064 0.000 0.793 473 K HN 0.069 nan 8.250 nan 0.000 0.494 474 K N 1.058 121.463 120.400 0.008 0.000 2.493 474 K HA 0.203 4.498 4.320 -0.042 0.000 0.207 474 K C 1.297 177.877 176.600 -0.034 0.000 1.033 474 K CA -0.071 56.200 56.287 -0.027 0.000 1.161 474 K CB 0.398 32.870 32.500 -0.048 0.000 0.873 474 K HN 0.045 nan 8.250 nan 0.000 0.491 475 L N -0.011 121.214 121.223 0.003 0.000 2.478 475 L HA 0.043 4.358 4.340 -0.042 0.000 0.223 475 L C 0.776 177.618 176.870 -0.047 0.000 1.140 475 L CA 0.972 55.813 54.840 0.002 0.000 0.842 475 L CB 0.002 42.107 42.059 0.077 0.000 0.953 475 L HN 0.257 nan 8.230 nan 0.000 0.452 476 Q N 0.236 119.990 119.800 -0.076 0.000 2.333 476 Q HA 0.469 4.784 4.340 -0.042 0.000 0.267 476 Q C -0.720 175.139 176.000 -0.236 0.000 1.012 476 Q CA -0.364 55.358 55.803 -0.135 0.000 0.824 476 Q CB 2.749 31.432 28.738 -0.091 0.000 1.290 476 Q HN 0.155 nan 8.270 nan 0.000 0.449 477 A N 4.724 127.296 122.820 -0.412 0.000 2.462 477 A HA 0.270 4.565 4.320 -0.042 0.000 0.243 477 A C -1.764 175.435 177.584 -0.643 0.000 1.076 477 A CA -0.935 50.639 52.037 -0.771 0.000 0.773 477 A CB 0.003 18.128 19.000 -1.457 0.000 1.010 477 A HN 0.605 nan 8.150 nan 0.000 0.493 478 P HA -0.121 nan 4.420 nan 0.000 0.223 478 P C 0.612 177.948 177.300 0.061 0.000 1.144 478 P CA 1.687 64.741 63.100 -0.076 0.000 0.783 478 P CB 0.001 31.772 31.700 0.118 0.000 0.771 479 W N -2.519 118.787 121.300 0.009 0.000 3.127 479 W HA 0.446 5.080 4.660 -0.042 0.000 0.344 479 W C -0.452 176.072 176.519 0.009 0.000 1.151 479 W CA -0.184 57.166 57.345 0.008 0.000 1.765 479 W CB 0.076 29.540 29.460 0.007 0.000 1.085 479 W HN -0.300 nan 8.180 nan 0.000 0.596 480 E N 0.000 120.043 120.200 -0.262 0.000 2.725 480 E HA 0.000 4.325 4.350 -0.042 0.000 0.291 480 E CA 0.000 56.283 56.400 -0.195 0.000 0.976 480 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440