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 3dw8_1_F DATA FIRST_RESID 6 DATA SEQUENCE FTKELDQWIE QLNECKQLSE SQVKSLCEKA KEILTKESNV QEVRCPVTVC DATA SEQUENCE GDVHGQFHDL MELFRIGGKS PDTNYLFMGD YVDRGYYSVE TVTLLVALKV DATA SEQUENCE RYRERITILR GNHESRQITQ VYGFYDECLR KYGNANVWKY FTDLFDYLPL DATA SEQUENCE TALVDGQIFC LHGGLSPSID TLDHIRALDR LQEVPHEGPM CDLLWSDPDD DATA SEQUENCE RGGWGISPRG AGYTFGQDIS ETFNHANGLT LVSRAHQLVM EGYNWCHDRN DATA SEQUENCE VVTIFSAPNY CYRCGNQAAI MELDDTLKYS FLQFDPAP 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.711 175.800 -0.148 0.000 0.967 6 F CA 0.000 57.934 58.000 -0.110 0.000 1.383 6 F CB 0.000 38.926 39.000 -0.124 0.000 1.145 7 T N 3.029 117.181 114.554 -0.669 0.000 2.567 7 T HA -0.342 4.007 4.350 -0.001 0.000 0.261 7 T C 1.607 175.935 174.700 -0.620 0.000 1.123 7 T CA 3.037 64.674 62.100 -0.771 0.000 1.166 7 T CB -0.577 68.063 68.868 -0.380 0.000 0.860 7 T HN 0.427 nan 8.240 nan 0.000 0.436 8 K N 0.817 121.018 120.400 -0.331 0.000 2.159 8 K HA -0.322 3.997 4.320 -0.001 0.000 0.217 8 K C 2.242 178.730 176.600 -0.188 0.000 1.048 8 K CA 2.280 58.452 56.287 -0.192 0.000 0.941 8 K CB -0.368 32.079 32.500 -0.088 0.000 0.738 8 K HN 0.563 nan 8.250 nan 0.000 0.469 9 E N 0.776 120.811 120.200 -0.275 0.000 2.007 9 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 9 E C 2.197 178.524 176.600 -0.455 0.000 0.999 9 E CA 1.324 57.566 56.400 -0.263 0.000 0.811 9 E CB -0.199 29.248 29.700 -0.421 0.000 0.762 9 E HN 0.222 nan 8.360 nan 0.000 0.450 10 L N 1.500 122.283 121.223 -0.732 0.000 1.976 10 L HA -0.321 4.018 4.340 -0.001 0.000 0.223 10 L C 2.269 179.027 176.870 -0.186 0.000 1.081 10 L CA 1.577 56.116 54.840 -0.501 0.000 0.784 10 L CB -0.870 40.863 42.059 -0.544 0.000 0.896 10 L HN 0.234 nan 8.230 nan 0.000 0.438 11 D N -0.781 119.496 120.400 -0.204 0.000 2.170 11 D HA -0.260 4.379 4.640 -0.001 0.000 0.193 11 D C 2.159 178.470 176.300 0.019 0.000 1.004 11 D CA 1.601 55.552 54.000 -0.081 0.000 0.860 11 D CB -0.107 40.640 40.800 -0.088 0.000 0.931 11 D HN 0.385 nan 8.370 nan 0.000 0.448 12 Q N 0.064 119.902 119.800 0.064 0.000 1.969 12 Q HA -0.130 4.209 4.340 -0.001 0.000 0.198 12 Q C 2.182 178.340 176.000 0.264 0.000 0.978 12 Q CA 1.169 57.070 55.803 0.163 0.000 0.830 12 Q CB -0.591 28.277 28.738 0.218 0.000 0.896 12 Q HN 0.333 nan 8.270 nan 0.000 0.431 13 W N 1.257 122.548 121.300 -0.014 0.000 2.290 13 W HA -0.213 4.446 4.660 -0.001 0.000 0.311 13 W C 2.311 178.840 176.519 0.016 0.000 1.238 13 W CA 0.937 58.286 57.345 0.007 0.000 1.255 13 W CB -1.091 28.375 29.460 0.011 0.000 1.145 13 W HN 0.202 nan 8.180 nan 0.000 0.506 14 I N -0.508 120.207 120.570 0.241 0.000 2.163 14 I HA -0.290 3.879 4.170 -0.001 0.000 0.240 14 I C 2.511 178.699 176.117 0.119 0.000 1.081 14 I CA 1.964 63.350 61.300 0.144 0.000 1.353 14 I CB -0.841 37.204 38.000 0.074 0.000 1.054 14 I HN 0.028 nan 8.210 nan 0.000 0.407 15 E N 1.079 121.339 120.200 0.100 0.000 2.097 15 E HA -0.346 4.003 4.350 -0.001 0.000 0.196 15 E C 2.184 178.836 176.600 0.087 0.000 1.000 15 E CA 1.844 58.292 56.400 0.080 0.000 0.804 15 E CB -0.138 29.602 29.700 0.066 0.000 0.740 15 E HN 0.524 nan 8.360 nan 0.000 0.454 16 Q N 0.390 120.244 119.800 0.089 0.000 1.993 16 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 16 Q C 2.549 178.588 176.000 0.065 0.000 0.984 16 Q CA 1.523 57.361 55.803 0.058 0.000 0.837 16 Q CB -0.172 28.580 28.738 0.023 0.000 0.902 16 Q HN 0.402 nan 8.270 nan 0.000 0.423 17 L N 1.140 122.418 121.223 0.093 0.000 2.129 17 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 17 L C 2.334 179.313 176.870 0.183 0.000 1.087 17 L CA 1.023 55.927 54.840 0.106 0.000 0.757 17 L CB -0.638 41.518 42.059 0.162 0.000 0.896 17 L HN 0.397 nan 8.230 nan 0.000 0.434 18 N N 0.150 118.970 118.700 0.201 0.000 2.223 18 N HA -0.181 4.558 4.740 -0.001 0.000 0.185 18 N C 1.182 176.869 175.510 0.295 0.000 1.016 18 N CA 1.156 54.367 53.050 0.268 0.000 0.863 18 N CB 0.023 38.592 38.487 0.137 0.000 0.983 18 N HN 0.523 nan 8.380 nan 0.000 0.429 19 E N -0.249 120.050 120.200 0.165 0.000 2.476 19 E HA 0.048 4.397 4.350 -0.001 0.000 0.191 19 E C 0.264 176.907 176.600 0.071 0.000 1.064 19 E CA -0.241 56.238 56.400 0.130 0.000 0.866 19 E CB -0.053 29.693 29.700 0.076 0.000 0.952 19 E HN 0.235 nan 8.360 nan 0.000 0.492 20 C N 1.586 120.867 119.300 -0.032 0.000 4.529 20 C HA -0.166 4.293 4.460 -0.001 0.000 0.296 20 C C -0.078 174.809 174.990 -0.172 0.000 1.353 20 C CA 0.395 59.203 59.018 -0.349 0.000 2.011 20 C CB -1.980 25.547 27.740 -0.355 0.000 1.235 20 C HN 0.289 nan 8.230 nan 0.000 0.784 21 K N 1.305 121.649 120.400 -0.093 0.000 2.300 21 K HA 0.334 4.653 4.320 -0.001 0.000 0.264 21 K C 0.696 177.247 176.600 -0.080 0.000 1.083 21 K CA -0.110 56.131 56.287 -0.076 0.000 0.958 21 K CB 0.813 33.285 32.500 -0.046 0.000 1.318 21 K HN 0.798 nan 8.250 nan 0.000 0.448 22 Q N 2.803 122.543 119.800 -0.101 0.000 2.624 22 Q HA 0.049 4.389 4.340 -0.001 0.000 0.256 22 Q C -0.446 175.533 176.000 -0.035 0.000 1.119 22 Q CA 0.175 55.947 55.803 -0.052 0.000 0.995 22 Q CB 0.496 29.177 28.738 -0.095 0.000 1.318 22 Q HN 0.409 nan 8.270 nan 0.000 0.534 23 L N 0.571 121.819 121.223 0.042 0.000 2.397 23 L HA 0.429 4.768 4.340 -0.001 0.000 0.266 23 L C 0.179 177.093 176.870 0.074 0.000 1.040 23 L CA -1.101 53.708 54.840 -0.051 0.000 0.800 23 L CB 1.681 43.669 42.059 -0.118 0.000 1.324 23 L HN 0.930 nan 8.230 nan 0.000 0.469 24 S N -1.906 113.761 115.700 -0.054 0.000 2.578 24 S HA 0.163 4.632 4.470 -0.001 0.000 0.283 24 S C 0.583 175.168 174.600 -0.025 0.000 1.195 24 S CA -0.706 57.514 58.200 0.033 0.000 1.050 24 S CB 1.648 64.809 63.200 -0.066 0.000 1.012 24 S HN 0.691 nan 8.310 nan 0.000 0.511 25 E N 1.213 121.400 120.200 -0.021 0.000 2.233 25 E HA -0.206 4.143 4.350 -0.001 0.000 0.199 25 E C 1.879 178.401 176.600 -0.129 0.000 1.004 25 E CA 1.401 57.706 56.400 -0.159 0.000 0.819 25 E CB -0.126 29.528 29.700 -0.076 0.000 0.738 25 E HN 0.718 nan 8.360 nan 0.000 0.478 26 S N -0.143 115.500 115.700 -0.095 0.000 2.336 26 S HA -0.228 4.241 4.470 -0.001 0.000 0.214 26 S C 1.900 176.444 174.600 -0.093 0.000 1.032 26 S CA 1.499 59.641 58.200 -0.097 0.000 1.001 26 S CB -0.224 62.941 63.200 -0.059 0.000 0.953 26 S HN 0.335 nan 8.310 nan 0.000 0.430 27 Q N 0.288 120.030 119.800 -0.096 0.000 2.047 27 Q HA -0.157 4.182 4.340 -0.001 0.000 0.211 27 Q C 2.289 178.340 176.000 0.085 0.000 1.005 27 Q CA 2.289 58.069 55.803 -0.038 0.000 0.866 27 Q CB -0.863 27.460 28.738 -0.690 0.000 0.938 27 Q HN 0.487 nan 8.270 nan 0.000 0.414 28 V N 1.315 121.189 119.914 -0.066 0.000 2.220 28 V HA -0.389 3.730 4.120 -0.001 0.000 0.250 28 V C 2.266 178.203 176.094 -0.262 0.000 1.053 28 V CA 2.422 64.639 62.300 -0.137 0.000 1.019 28 V CB -0.845 30.827 31.823 -0.251 0.000 0.646 28 V HN 0.429 nan 8.190 nan 0.000 0.455 29 K N 0.295 120.435 120.400 -0.433 0.000 2.207 29 K HA -0.318 4.001 4.320 -0.001 0.000 0.208 29 K C 2.207 178.532 176.600 -0.457 0.000 1.046 29 K CA 2.288 58.110 56.287 -0.774 0.000 0.929 29 K CB -0.288 31.560 32.500 -1.086 0.000 0.720 29 K HN 0.726 nan 8.250 nan 0.000 0.463 30 S N -0.068 115.489 115.700 -0.239 0.000 2.406 30 S HA -0.090 4.379 4.470 -0.001 0.000 0.224 30 S C 1.889 176.411 174.600 -0.130 0.000 1.030 30 S CA 0.530 58.635 58.200 -0.158 0.000 0.958 30 S CB -0.244 62.924 63.200 -0.053 0.000 0.811 30 S HN 0.284 nan 8.310 nan 0.000 0.489 31 L N 1.875 123.074 121.223 -0.040 0.000 2.093 31 L HA 0.090 4.430 4.340 -0.001 0.000 0.208 31 L C 2.443 179.260 176.870 -0.088 0.000 1.085 31 L CA 1.146 55.972 54.840 -0.023 0.000 0.755 31 L CB -1.032 41.104 42.059 0.129 0.000 0.904 31 L HN 0.465 nan 8.230 nan 0.000 0.435 32 C N -0.283 118.918 119.300 -0.165 0.000 2.411 32 C HA -0.105 4.355 4.460 -0.001 0.000 0.279 32 C C 2.563 177.425 174.990 -0.214 0.000 1.288 32 C CA 0.569 59.467 59.018 -0.200 0.000 1.764 32 C CB -0.889 26.670 27.740 -0.301 0.000 1.974 32 C HN 0.553 nan 8.230 nan 0.000 0.498 33 E N 1.070 121.142 120.200 -0.214 0.000 2.051 33 E HA -0.114 4.235 4.350 -0.001 0.000 0.189 33 E C 2.017 178.511 176.600 -0.177 0.000 0.979 33 E CA 0.866 57.141 56.400 -0.207 0.000 0.803 33 E CB -0.515 29.067 29.700 -0.197 0.000 0.761 33 E HN 0.482 nan 8.360 nan 0.000 0.451 34 K N 1.493 121.796 120.400 -0.161 0.000 2.103 34 K HA -0.078 4.242 4.320 -0.001 0.000 0.207 34 K C 1.891 178.436 176.600 -0.093 0.000 1.048 34 K CA 1.374 57.580 56.287 -0.135 0.000 0.930 34 K CB -0.445 31.976 32.500 -0.132 0.000 0.716 34 K HN 0.096 nan 8.250 nan 0.000 0.444 35 A N 0.938 123.703 122.820 -0.092 0.000 1.835 35 A HA -0.196 4.123 4.320 -0.001 0.000 0.215 35 A C 1.892 179.420 177.584 -0.094 0.000 1.199 35 A CA 1.961 53.960 52.037 -0.064 0.000 0.615 35 A CB -0.603 18.373 19.000 -0.040 0.000 0.838 35 A HN 0.344 nan 8.150 nan 0.000 0.444 36 K N -0.236 120.024 120.400 -0.233 0.000 2.030 36 K HA -0.305 4.014 4.320 -0.001 0.000 0.222 36 K C 1.887 178.456 176.600 -0.053 0.000 1.056 36 K CA 2.305 58.355 56.287 -0.395 0.000 0.957 36 K CB -0.517 31.547 32.500 -0.726 0.000 0.727 36 K HN 0.670 nan 8.250 nan 0.000 0.452 37 E N 0.568 120.740 120.200 -0.047 0.000 2.108 37 E HA -0.247 4.102 4.350 -0.001 0.000 0.203 37 E C 2.104 178.731 176.600 0.045 0.000 1.022 37 E CA 1.865 58.276 56.400 0.018 0.000 0.823 37 E CB -0.360 29.327 29.700 -0.022 0.000 0.744 37 E HN 0.359 nan 8.360 nan 0.000 0.456 38 I N 0.758 121.343 120.570 0.024 0.000 2.252 38 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 38 I C 2.365 178.526 176.117 0.074 0.000 1.102 38 I CA 0.988 62.313 61.300 0.041 0.000 1.385 38 I CB -0.290 37.726 38.000 0.027 0.000 1.064 38 I HN 0.118 nan 8.210 nan 0.000 0.414 39 L N 0.322 121.605 121.223 0.099 0.000 2.056 39 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 39 L C 2.808 179.777 176.870 0.164 0.000 1.078 39 L CA 1.836 56.761 54.840 0.143 0.000 0.749 39 L CB -1.363 40.810 42.059 0.190 0.000 0.901 39 L HN 0.386 nan 8.230 nan 0.000 0.433 40 T N -1.539 113.141 114.554 0.210 0.000 2.737 40 T HA -0.237 4.113 4.350 -0.001 0.000 0.269 40 T C 1.563 176.320 174.700 0.094 0.000 1.040 40 T CA 1.215 63.410 62.100 0.158 0.000 1.142 40 T CB -0.411 68.563 68.868 0.177 0.000 0.861 40 T HN 0.348 nan 8.240 nan 0.000 0.456 41 K N 1.532 121.985 120.400 0.087 0.000 2.589 41 K HA 0.114 4.433 4.320 -0.001 0.000 0.192 41 K C 0.519 177.158 176.600 0.064 0.000 1.029 41 K CA 0.461 56.786 56.287 0.064 0.000 1.031 41 K CB 0.057 32.590 32.500 0.055 0.000 0.821 41 K HN 0.607 nan 8.250 nan 0.000 0.502 42 E N 0.808 121.053 120.200 0.077 0.000 2.202 42 E HA 0.150 4.499 4.350 -0.001 0.000 0.272 42 E C -0.822 175.822 176.600 0.073 0.000 0.951 42 E CA -0.475 55.971 56.400 0.077 0.000 0.813 42 E CB 1.927 31.680 29.700 0.089 0.000 1.151 42 E HN -0.087 nan 8.360 nan 0.000 0.398 43 S N 1.344 117.088 115.700 0.072 0.000 2.601 43 S HA 0.059 4.528 4.470 -0.001 0.000 0.271 43 S C 0.898 175.550 174.600 0.086 0.000 1.305 43 S CA -0.516 57.726 58.200 0.071 0.000 1.022 43 S CB 0.505 63.746 63.200 0.067 0.000 0.940 43 S HN 0.408 nan 8.310 nan 0.000 0.525 44 N N 2.015 120.766 118.700 0.085 0.000 2.272 44 N HA -0.064 4.675 4.740 -0.001 0.000 0.185 44 N C 0.228 175.820 175.510 0.136 0.000 1.014 44 N CA 0.848 53.959 53.050 0.101 0.000 0.870 44 N CB -0.283 38.262 38.487 0.097 0.000 0.975 44 N HN 0.385 nan 8.380 nan 0.000 0.433 45 V N 1.841 121.837 119.914 0.136 0.000 2.205 45 V HA 0.136 4.255 4.120 -0.001 0.000 0.263 45 V C 0.144 176.321 176.094 0.138 0.000 1.138 45 V CA -0.697 61.709 62.300 0.176 0.000 1.059 45 V CB 0.440 32.354 31.823 0.152 0.000 1.232 45 V HN 0.033 nan 8.190 nan 0.000 0.469 46 Q N 2.425 122.304 119.800 0.132 0.000 2.269 46 Q HA -0.001 4.338 4.340 -0.001 0.000 0.300 46 Q C 0.032 176.097 176.000 0.108 0.000 1.070 46 Q CA 0.700 56.569 55.803 0.110 0.000 0.957 46 Q CB 0.451 29.254 28.738 0.108 0.000 1.131 46 Q HN 0.699 nan 8.270 nan 0.000 0.377 47 E N 2.109 122.361 120.200 0.086 0.000 2.259 47 E HA 0.467 4.816 4.350 -0.001 0.000 0.281 47 E C -1.447 175.197 176.600 0.073 0.000 1.027 47 E CA -0.314 56.131 56.400 0.075 0.000 0.838 47 E CB 0.762 30.496 29.700 0.056 0.000 1.066 47 E HN 0.374 nan 8.360 nan 0.000 0.401 48 V N 5.158 125.115 119.914 0.072 0.000 2.623 48 V HA 0.435 4.555 4.120 -0.001 0.000 0.304 48 V C -0.596 175.529 176.094 0.051 0.000 1.054 48 V CA -1.033 61.306 62.300 0.065 0.000 0.882 48 V CB 1.771 33.638 31.823 0.074 0.000 1.002 48 V HN 0.739 nan 8.190 nan 0.000 0.424 49 R N 3.395 123.919 120.500 0.039 0.000 2.428 49 R HA 0.731 5.070 4.340 -0.001 0.000 0.294 49 R C 0.106 176.416 176.300 0.016 0.000 1.000 49 R CA -0.403 55.713 56.100 0.027 0.000 0.960 49 R CB 1.008 31.321 30.300 0.021 0.000 1.076 49 R HN 0.818 nan 8.270 nan 0.000 0.475 50 C N 1.526 120.832 119.300 0.010 0.000 2.480 50 C HA 0.682 5.141 4.460 -0.001 0.000 0.358 50 C C -1.755 173.226 174.990 -0.015 0.000 1.309 50 C CA -1.710 57.305 59.018 -0.005 0.000 2.465 50 C CB 0.471 28.208 27.740 -0.004 0.000 2.379 50 C HN 0.809 nan 8.230 nan 0.000 0.642 51 P HA 0.507 nan 4.420 nan 0.000 0.274 51 P C -1.055 176.207 177.300 -0.065 0.000 1.237 51 P CA 0.037 63.107 63.100 -0.050 0.000 0.793 51 P CB 0.990 32.651 31.700 -0.064 0.000 0.977 52 V N 0.584 120.447 119.914 -0.084 0.000 2.882 52 V HA 0.158 4.278 4.120 -0.001 0.000 0.295 52 V C -0.258 175.748 176.094 -0.146 0.000 1.273 52 V CA -0.510 61.724 62.300 -0.110 0.000 0.949 52 V CB 2.087 33.882 31.823 -0.047 0.000 1.071 52 V HN 0.501 nan 8.190 nan 0.000 0.432 53 T N 4.097 118.498 114.554 -0.254 0.000 2.728 53 T HA 0.460 4.810 4.350 -0.001 0.000 0.296 53 T C -0.082 174.533 174.700 -0.142 0.000 0.940 53 T CA -0.171 61.788 62.100 -0.235 0.000 1.013 53 T CB 0.930 69.565 68.868 -0.389 0.000 0.912 53 T HN 0.440 nan 8.240 nan 0.000 0.484 54 V N 4.024 123.878 119.914 -0.099 0.000 2.432 54 V HA 0.357 4.476 4.120 -0.001 0.000 0.275 54 V C 0.328 176.349 176.094 -0.122 0.000 1.043 54 V CA -0.827 61.417 62.300 -0.093 0.000 0.925 54 V CB 0.551 32.343 31.823 -0.051 0.000 0.985 54 V HN 0.989 nan 8.190 nan 0.000 0.466 55 C N 3.686 122.851 119.300 -0.226 0.000 2.561 55 C HA 0.901 5.360 4.460 -0.001 0.000 0.319 55 C C 1.063 175.955 174.990 -0.164 0.000 1.198 55 C CA -0.470 58.393 59.018 -0.258 0.000 1.665 55 C CB 1.106 28.493 27.740 -0.588 0.000 2.258 55 C HN 1.061 nan 8.230 nan 0.000 0.493 56 G N 0.406 109.120 108.800 -0.144 0.000 2.736 56 G HA2 0.479 4.439 3.960 -0.001 0.000 0.229 56 G HA3 0.479 4.439 3.960 -0.001 0.000 0.229 56 G C -1.004 173.730 174.900 -0.276 0.000 1.380 56 G CA -0.388 44.608 45.100 -0.172 0.000 1.040 56 G HN 0.774 nan 8.290 nan 0.000 0.568 57 D N -1.147 118.940 120.400 -0.521 0.000 2.648 57 D HA 0.146 4.785 4.640 -0.001 0.000 0.229 57 D C 0.989 176.932 176.300 -0.594 0.000 1.119 57 D CA 0.281 53.823 54.000 -0.763 0.000 0.850 57 D CB 1.736 41.710 40.800 -1.377 0.000 1.169 57 D HN 0.012 nan 8.370 nan 0.000 0.489 58 V N 2.929 122.583 119.914 -0.433 0.000 2.806 58 V HA -0.047 4.072 4.120 -0.001 0.000 0.239 58 V C 0.436 176.501 176.094 -0.048 0.000 1.113 58 V CA 0.242 62.444 62.300 -0.162 0.000 1.137 58 V CB -0.273 31.545 31.823 -0.008 0.000 0.865 58 V HN 0.779 nan 8.190 nan 0.000 0.482 59 H N 0.101 119.108 119.070 -0.104 0.000 2.677 59 H HA -0.190 4.365 4.556 -0.001 0.000 0.321 59 H C 1.570 176.977 175.328 0.132 0.000 1.171 59 H CA 1.032 57.078 56.048 -0.004 0.000 1.139 59 H CB -1.491 28.322 29.762 0.085 0.000 1.515 59 H HN 0.743 nan 8.280 nan 0.000 0.423 60 G N 0.461 109.392 108.800 0.218 0.000 2.205 60 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.269 60 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.269 60 G C 0.724 175.835 174.900 0.351 0.000 0.977 60 G CA 0.796 46.077 45.100 0.300 0.000 0.652 60 G HN 0.624 nan 8.290 nan 0.000 0.539 61 Q N -0.456 119.507 119.800 0.271 0.000 2.903 61 Q HA 0.352 4.691 4.340 -0.001 0.000 0.295 61 Q C 1.501 177.600 176.000 0.165 0.000 1.157 61 Q CA -0.269 55.675 55.803 0.235 0.000 0.930 61 Q CB -0.397 28.398 28.738 0.095 0.000 1.571 61 Q HN 0.598 nan 8.270 nan 0.000 0.440 62 F N 1.025 120.996 119.950 0.035 0.000 2.068 62 F HA -0.447 4.079 4.527 -0.001 0.000 0.289 62 F C 1.674 177.455 175.800 -0.033 0.000 1.089 62 F CA 2.520 60.497 58.000 -0.039 0.000 1.263 62 F CB -0.211 38.719 39.000 -0.117 0.000 0.955 62 F HN 0.490 nan 8.300 nan 0.000 0.501 63 H N -0.964 118.139 119.070 0.055 0.000 2.390 63 H HA -0.203 4.352 4.556 -0.001 0.000 0.298 63 H C 1.763 177.014 175.328 -0.130 0.000 1.106 63 H CA 1.145 57.169 56.048 -0.039 0.000 1.297 63 H CB -0.247 29.542 29.762 0.045 0.000 1.375 63 H HN 0.362 nan 8.280 nan 0.000 0.509 64 D N 0.346 120.771 120.400 0.042 0.000 2.269 64 D HA -0.093 4.546 4.640 -0.001 0.000 0.208 64 D C 1.991 178.207 176.300 -0.139 0.000 0.963 64 D CA 0.344 54.342 54.000 -0.002 0.000 0.864 64 D CB -0.114 40.740 40.800 0.090 0.000 0.936 64 D HN 0.248 nan 8.370 nan 0.000 0.505 65 L N 0.089 121.189 121.223 -0.204 0.000 2.376 65 L HA 0.005 4.344 4.340 -0.001 0.000 0.219 65 L C 1.749 178.430 176.870 -0.315 0.000 1.133 65 L CA 1.034 55.698 54.840 -0.294 0.000 0.816 65 L CB -0.141 41.765 42.059 -0.255 0.000 0.933 65 L HN -0.123 nan 8.230 nan 0.000 0.449 66 M N -1.194 118.233 119.600 -0.287 0.000 2.357 66 M HA -0.022 4.457 4.480 -0.001 0.000 0.266 66 M C 2.095 178.324 176.300 -0.117 0.000 1.095 66 M CA 0.917 56.146 55.300 -0.119 0.000 1.156 66 M CB -0.622 31.887 32.600 -0.153 0.000 1.365 66 M HN 0.254 nan 8.290 nan 0.000 0.447 67 E N 1.246 121.323 120.200 -0.205 0.000 2.077 67 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 67 E C 2.034 178.310 176.600 -0.540 0.000 0.989 67 E CA 1.114 57.342 56.400 -0.287 0.000 0.800 67 E CB -0.415 29.131 29.700 -0.258 0.000 0.746 67 E HN 0.428 nan 8.360 nan 0.000 0.452 68 L N -0.521 120.274 121.223 -0.713 0.000 1.990 68 L HA -0.203 4.136 4.340 -0.001 0.000 0.213 68 L C 1.960 178.518 176.870 -0.520 0.000 1.072 68 L CA 1.706 56.021 54.840 -0.875 0.000 0.755 68 L CB -0.364 41.266 42.059 -0.715 0.000 0.889 68 L HN 0.160 nan 8.230 nan 0.000 0.432 69 F N 0.273 120.092 119.950 -0.218 0.000 2.408 69 F HA -0.111 4.415 4.527 -0.001 0.000 0.300 69 F C 2.365 178.128 175.800 -0.061 0.000 1.090 69 F CA 0.993 58.937 58.000 -0.093 0.000 1.427 69 F CB -0.444 38.496 39.000 -0.100 0.000 1.070 69 F HN 0.069 nan 8.300 nan 0.000 0.549 70 R N -0.602 119.906 120.500 0.013 0.000 2.317 70 R HA 0.106 4.445 4.340 -0.001 0.000 0.208 70 R C 1.273 177.553 176.300 -0.034 0.000 0.914 70 R CA 0.256 56.355 56.100 -0.001 0.000 1.060 70 R CB 0.236 30.518 30.300 -0.029 0.000 1.015 70 R HN 0.277 nan 8.270 nan 0.000 0.498 71 I N -1.490 119.035 120.570 -0.076 0.000 3.136 71 I HA 0.084 4.253 4.170 -0.001 0.000 0.262 71 I C 2.005 178.134 176.117 0.021 0.000 1.132 71 I CA 1.140 62.410 61.300 -0.050 0.000 1.450 71 I CB -0.735 37.189 38.000 -0.126 0.000 1.315 71 I HN 0.094 nan 8.210 nan 0.000 0.460 72 G N 0.071 108.910 108.800 0.064 0.000 2.796 72 G HA2 0.423 4.382 3.960 -0.001 0.000 0.210 72 G HA3 0.423 4.382 3.960 -0.001 0.000 0.210 72 G C 0.746 175.726 174.900 0.133 0.000 1.146 72 G CA 0.617 45.778 45.100 0.101 0.000 0.779 72 G HN 0.616 nan 8.290 nan 0.000 0.535 73 G N -0.445 108.492 108.800 0.229 0.000 2.459 73 G HA2 0.016 3.975 3.960 -0.001 0.000 0.685 73 G HA3 0.016 3.975 3.960 -0.001 0.000 0.685 73 G C -0.905 174.229 174.900 0.390 0.000 1.303 73 G CA -1.016 44.215 45.100 0.217 0.000 0.907 73 G HN 0.332 nan 8.290 nan 0.000 0.632 74 K N 0.318 120.836 120.400 0.197 0.000 2.205 74 K HA 0.574 4.893 4.320 -0.001 0.000 0.279 74 K C 0.697 177.331 176.600 0.057 0.000 1.027 74 K CA -0.189 56.143 56.287 0.074 0.000 0.932 74 K CB 1.628 34.109 32.500 -0.033 0.000 1.032 74 K HN 0.581 nan 8.250 nan 0.000 0.466 75 S N 2.486 118.162 115.700 -0.039 0.000 2.585 75 S HA 0.181 4.650 4.470 -0.001 0.000 0.273 75 S C -1.531 172.934 174.600 -0.224 0.000 1.339 75 S CA -1.279 56.908 58.200 -0.021 0.000 1.028 75 S CB 0.463 63.677 63.200 0.024 0.000 0.906 75 S HN 0.510 nan 8.310 nan 0.000 0.528 76 P HA 0.207 nan 4.420 nan 0.000 0.261 76 P C 0.144 177.306 177.300 -0.229 0.000 1.352 76 P CA -0.097 62.738 63.100 -0.442 0.000 0.891 76 P CB 0.165 31.213 31.700 -1.087 0.000 1.383 77 D N 0.554 120.860 120.400 -0.157 0.000 2.123 77 D HA -0.062 4.577 4.640 -0.001 0.000 0.196 77 D C 0.367 176.618 176.300 -0.082 0.000 0.992 77 D CA 1.292 55.232 54.000 -0.099 0.000 0.833 77 D CB -0.111 40.652 40.800 -0.061 0.000 0.954 77 D HN 0.199 nan 8.370 nan 0.000 0.455 78 T N 1.051 115.571 114.554 -0.057 0.000 2.767 78 T HA 0.168 4.518 4.350 -0.001 0.000 0.284 78 T C 0.059 174.640 174.700 -0.199 0.000 0.973 78 T CA -0.519 61.484 62.100 -0.163 0.000 0.996 78 T CB 1.458 70.189 68.868 -0.228 0.000 0.927 78 T HN -0.042 nan 8.240 nan 0.000 0.456 79 N N 2.217 120.777 118.700 -0.234 0.000 2.470 79 N HA 0.232 4.971 4.740 -0.001 0.000 0.268 79 N C -1.312 174.048 175.510 -0.249 0.000 1.136 79 N CA -0.095 52.877 53.050 -0.130 0.000 0.961 79 N CB 0.478 38.913 38.487 -0.087 0.000 1.067 79 N HN 0.469 nan 8.380 nan 0.000 0.468 80 Y N 2.015 122.370 120.300 0.091 0.000 2.485 80 Y HA 0.493 5.042 4.550 -0.001 0.000 0.345 80 Y C -0.438 175.509 175.900 0.078 0.000 0.998 80 Y CA -0.879 57.260 58.100 0.065 0.000 1.059 80 Y CB 1.577 40.188 38.460 0.250 0.000 1.234 80 Y HN 0.335 nan 8.280 nan 0.000 0.461 81 L N 4.218 125.508 121.223 0.112 0.000 2.446 81 L HA 0.602 4.941 4.340 -0.001 0.000 0.268 81 L C -2.120 174.720 176.870 -0.049 0.000 0.975 81 L CA -0.724 54.181 54.840 0.107 0.000 0.848 81 L CB 0.246 42.337 42.059 0.054 0.000 1.225 81 L HN 0.352 nan 8.230 nan 0.000 0.410 82 F N 4.995 125.024 119.950 0.132 0.000 2.443 82 F HA 0.492 5.019 4.527 -0.001 0.000 0.335 82 F C 0.930 176.784 175.800 0.089 0.000 1.104 82 F CA -0.548 57.525 58.000 0.122 0.000 1.013 82 F CB 1.848 40.983 39.000 0.226 0.000 1.136 82 F HN 0.386 nan 8.300 nan 0.000 0.470 83 M N 2.879 122.560 119.600 0.135 0.000 2.738 83 M HA 0.389 4.868 4.480 -0.001 0.000 0.295 83 M C 0.492 176.716 176.300 -0.128 0.000 1.266 83 M CA -0.120 55.201 55.300 0.034 0.000 0.985 83 M CB -0.276 32.336 32.600 0.019 0.000 1.365 83 M HN 0.851 nan 8.290 nan 0.000 0.492 84 G N 0.069 108.619 108.800 -0.416 0.000 2.631 84 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.504 84 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.504 84 G C -0.929 173.137 174.900 -1.391 0.000 1.306 84 G CA -0.927 43.523 45.100 -1.083 0.000 0.897 84 G HN 0.450 nan 8.290 nan 0.000 0.520 85 D N -1.615 117.958 120.400 -1.377 0.000 3.133 85 D HA -0.135 4.505 4.640 -0.001 0.000 0.239 85 D C 0.536 176.182 176.300 -1.089 0.000 1.136 85 D CA 1.737 55.053 54.000 -1.139 0.000 0.898 85 D CB -1.084 39.034 40.800 -1.135 0.000 0.959 85 D HN 0.710 nan 8.370 nan 0.000 0.415 86 Y N -1.290 118.708 120.300 -0.504 0.000 2.524 86 Y HA 0.211 4.760 4.550 -0.001 0.000 0.270 86 Y C 1.528 177.277 175.900 -0.251 0.000 1.094 86 Y CA 0.166 58.049 58.100 -0.361 0.000 1.276 86 Y CB 0.321 38.568 38.460 -0.356 0.000 1.130 86 Y HN 0.257 nan 8.280 nan 0.000 0.536 87 V N -3.097 116.723 119.914 -0.158 0.000 3.166 87 V HA 0.728 4.847 4.120 -0.001 0.000 0.317 87 V C -0.793 175.411 176.094 0.183 0.000 1.136 87 V CA -1.220 61.055 62.300 -0.042 0.000 1.035 87 V CB 1.848 33.373 31.823 -0.498 0.000 1.110 87 V HN 0.118 nan 8.190 nan 0.000 0.450 88 D N -0.368 120.261 120.400 0.382 0.000 10.697 88 D HA -0.055 4.584 4.640 -0.001 0.000 0.348 88 D C 0.805 177.327 176.300 0.369 0.000 3.134 88 D CA 0.567 54.839 54.000 0.453 0.000 2.641 88 D CB -0.184 40.912 40.800 0.493 0.000 1.229 88 D HN 0.957 nan 8.370 nan 0.000 0.945 89 R N -1.499 119.188 120.500 0.312 0.000 1.258 89 R HA -0.205 4.134 4.340 -0.001 0.000 0.031 89 R C 1.252 177.722 176.300 0.283 0.000 0.958 89 R CA 2.464 58.678 56.100 0.191 0.000 1.916 89 R CB -2.251 28.035 30.300 -0.024 0.000 0.240 89 R HN 0.763 nan 8.270 nan 0.000 0.707 90 G N -1.034 107.988 108.800 0.369 0.000 2.712 90 G HA2 0.105 4.065 3.960 -0.001 0.000 0.258 90 G HA3 0.105 4.065 3.960 -0.001 0.000 0.258 90 G C 0.223 175.442 174.900 0.531 0.000 1.241 90 G CA 0.454 45.856 45.100 0.504 0.000 0.923 90 G HN 0.443 nan 8.290 nan 0.000 0.548 91 Y N -1.283 119.278 120.300 0.435 0.000 2.481 91 Y HA 0.377 4.926 4.550 -0.002 0.000 0.247 91 Y C 0.398 176.442 175.900 0.239 0.000 1.151 91 Y CA -0.723 57.550 58.100 0.290 0.000 1.238 91 Y CB 0.416 39.009 38.460 0.222 0.000 1.179 91 Y HN 0.387 nan 8.280 nan 0.000 0.524 92 Y N -1.098 119.292 120.300 0.149 0.000 2.719 92 Y HA 0.262 4.812 4.550 -0.001 0.000 0.251 92 Y C 1.942 177.929 175.900 0.145 0.000 1.159 92 Y CA -0.456 57.656 58.100 0.020 0.000 1.166 92 Y CB 0.012 38.465 38.460 -0.012 0.000 1.219 92 Y HN -0.089 nan 8.280 nan 0.000 0.551 93 S N -0.238 115.662 115.700 0.333 0.000 2.393 93 S HA -0.242 4.227 4.470 -0.001 0.000 0.234 93 S C 2.153 176.942 174.600 0.315 0.000 1.064 93 S CA 2.054 60.460 58.200 0.345 0.000 1.088 93 S CB -0.491 63.018 63.200 0.516 0.000 0.939 93 S HN 0.318 nan 8.310 nan 0.000 0.448 94 V N 1.723 121.840 119.914 0.338 0.000 2.220 94 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 94 V C 2.375 178.597 176.094 0.212 0.000 1.049 94 V CA 2.135 64.630 62.300 0.325 0.000 1.003 94 V CB -0.958 31.009 31.823 0.239 0.000 0.634 94 V HN 0.377 nan 8.190 nan 0.000 0.444 95 E N 0.380 120.648 120.200 0.113 0.000 2.130 95 E HA -0.178 4.171 4.350 -0.001 0.000 0.196 95 E C 2.137 178.865 176.600 0.213 0.000 0.998 95 E CA 1.862 58.293 56.400 0.052 0.000 0.806 95 E CB -0.903 28.664 29.700 -0.221 0.000 0.738 95 E HN 0.656 nan 8.360 nan 0.000 0.459 96 T N 0.444 115.183 114.554 0.308 0.000 2.520 96 T HA -0.179 4.170 4.350 -0.001 0.000 0.258 96 T C 1.956 176.725 174.700 0.115 0.000 1.125 96 T CA 1.500 63.796 62.100 0.326 0.000 1.206 96 T CB -0.811 68.224 68.868 0.277 0.000 0.864 96 T HN 0.128 nan 8.240 nan 0.000 0.400 97 V N 1.526 121.446 119.914 0.010 0.000 2.636 97 V HA -0.231 3.888 4.120 -0.001 0.000 0.258 97 V C 2.208 178.241 176.094 -0.101 0.000 1.092 97 V CA 2.487 64.686 62.300 -0.167 0.000 1.110 97 V CB -1.053 30.561 31.823 -0.347 0.000 0.685 97 V HN 0.671 nan 8.190 nan 0.000 0.481 98 T N 0.199 114.797 114.554 0.073 0.000 2.852 98 T HA -0.048 4.301 4.350 -0.001 0.000 0.256 98 T C 1.721 176.519 174.700 0.163 0.000 1.038 98 T CA 1.280 63.522 62.100 0.237 0.000 1.141 98 T CB -0.298 68.769 68.868 0.332 0.000 0.869 98 T HN 0.396 nan 8.240 nan 0.000 0.439 99 L N 1.808 123.121 121.223 0.149 0.000 1.990 99 L HA -0.051 4.288 4.340 -0.001 0.000 0.213 99 L C 2.145 179.025 176.870 0.017 0.000 1.072 99 L CA 1.680 56.596 54.840 0.127 0.000 0.755 99 L CB -1.168 41.014 42.059 0.203 0.000 0.889 99 L HN 0.259 nan 8.230 nan 0.000 0.432 100 L N -1.739 119.425 121.223 -0.099 0.000 1.970 100 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 100 L C 2.464 179.232 176.870 -0.170 0.000 1.071 100 L CA 1.477 56.159 54.840 -0.262 0.000 0.751 100 L CB -1.083 40.619 42.059 -0.595 0.000 0.889 100 L HN 0.120 nan 8.230 nan 0.000 0.432 101 V N 0.404 120.246 119.914 -0.119 0.000 2.380 101 V HA -0.326 3.793 4.120 -0.001 0.000 0.251 101 V C 2.799 178.907 176.094 0.024 0.000 1.063 101 V CA 1.897 64.188 62.300 -0.016 0.000 1.055 101 V CB -1.011 30.886 31.823 0.123 0.000 0.657 101 V HN 0.512 nan 8.190 nan 0.000 0.455 102 A N -0.322 122.531 122.820 0.055 0.000 1.930 102 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 102 A C 2.180 179.759 177.584 -0.008 0.000 1.175 102 A CA 1.681 53.749 52.037 0.053 0.000 0.627 102 A CB -0.447 18.627 19.000 0.123 0.000 0.815 102 A HN 0.519 nan 8.150 nan 0.000 0.443 103 L N -0.814 120.410 121.223 0.001 0.000 2.109 103 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 103 L C 2.503 179.400 176.870 0.045 0.000 1.086 103 L CA 1.650 56.509 54.840 0.033 0.000 0.760 103 L CB -0.347 41.737 42.059 0.041 0.000 0.910 103 L HN 0.306 nan 8.230 nan 0.000 0.437 104 K N 0.363 120.772 120.400 0.015 0.000 2.026 104 K HA -0.128 4.191 4.320 -0.001 0.000 0.208 104 K C 1.872 178.482 176.600 0.016 0.000 1.048 104 K CA 1.623 57.930 56.287 0.035 0.000 0.929 104 K CB -0.526 31.980 32.500 0.010 0.000 0.713 104 K HN 0.036 nan 8.250 nan 0.000 0.439 105 V N 0.912 120.817 119.914 -0.016 0.000 2.261 105 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 105 V C 2.547 178.580 176.094 -0.101 0.000 1.047 105 V CA 2.216 64.494 62.300 -0.036 0.000 1.015 105 V CB -0.602 31.202 31.823 -0.032 0.000 0.642 105 V HN 0.361 nan 8.190 nan 0.000 0.446 106 R N 0.109 120.490 120.500 -0.198 0.000 2.082 106 R HA -0.147 4.192 4.340 -0.001 0.000 0.234 106 R C 0.542 176.518 176.300 -0.540 0.000 1.136 106 R CA 1.749 57.576 56.100 -0.456 0.000 0.935 106 R CB -0.394 29.538 30.300 -0.614 0.000 0.842 106 R HN 0.527 nan 8.270 nan 0.000 0.430 107 Y N 0.724 121.017 120.300 -0.012 0.000 2.960 107 Y HA 0.382 4.931 4.550 -0.001 0.000 0.343 107 Y C 0.738 176.655 175.900 0.029 0.000 1.106 107 Y CA -0.728 57.377 58.100 0.008 0.000 1.221 107 Y CB 0.614 39.086 38.460 0.020 0.000 1.232 107 Y HN 0.022 nan 8.280 nan 0.000 0.577 108 R N 0.140 120.707 120.500 0.112 0.000 2.133 108 R HA -0.181 4.159 4.340 -0.001 0.000 0.247 108 R C 0.800 177.168 176.300 0.114 0.000 1.151 108 R CA 1.614 57.770 56.100 0.094 0.000 0.971 108 R CB 0.138 30.475 30.300 0.061 0.000 0.866 108 R HN 0.459 nan 8.270 nan 0.000 0.447 109 E N -0.031 120.243 120.200 0.123 0.000 2.479 109 E HA -0.004 4.345 4.350 -0.001 0.000 0.193 109 E C 1.247 177.912 176.600 0.107 0.000 1.049 109 E CA 0.364 56.825 56.400 0.102 0.000 0.870 109 E CB 0.368 30.115 29.700 0.079 0.000 0.944 109 E HN 0.194 nan 8.360 nan 0.000 0.492 110 R N -0.242 120.346 120.500 0.146 0.000 2.308 110 R HA 0.334 4.673 4.340 -0.001 0.000 0.202 110 R C 0.325 176.745 176.300 0.201 0.000 0.898 110 R CA 0.286 56.462 56.100 0.127 0.000 1.046 110 R CB 0.801 31.138 30.300 0.063 0.000 1.026 110 R HN -0.020 nan 8.270 nan 0.000 0.512 111 I N -0.021 120.684 120.570 0.224 0.000 2.569 111 I HA 0.281 4.450 4.170 -0.001 0.000 0.290 111 I C -0.930 175.321 176.117 0.224 0.000 1.088 111 I CA -0.661 60.809 61.300 0.283 0.000 1.047 111 I CB 2.698 40.865 38.000 0.279 0.000 1.237 111 I HN -0.162 nan 8.210 nan 0.000 0.421 112 T N 6.592 121.306 114.554 0.267 0.000 2.815 112 T HA 0.566 4.915 4.350 -0.001 0.000 0.289 112 T C -0.282 174.569 174.700 0.253 0.000 1.000 112 T CA -0.375 61.851 62.100 0.210 0.000 0.958 112 T CB 0.879 69.851 68.868 0.173 0.000 0.944 112 T HN 0.475 nan 8.240 nan 0.000 0.442 113 I N 1.858 122.532 120.570 0.174 0.000 2.355 113 I HA 0.596 4.765 4.170 -0.001 0.000 0.288 113 I C -0.611 175.620 176.117 0.191 0.000 0.999 113 I CA -1.052 60.359 61.300 0.186 0.000 1.163 113 I CB 0.806 38.772 38.000 -0.057 0.000 1.316 113 I HN 0.376 nan 8.210 nan 0.000 0.454 114 L N 4.924 126.276 121.223 0.216 0.000 2.431 114 L HA 0.550 4.889 4.340 -0.001 0.000 0.260 114 L C 0.532 177.424 176.870 0.037 0.000 1.098 114 L CA -0.881 54.024 54.840 0.109 0.000 0.800 114 L CB 0.961 43.054 42.059 0.058 0.000 1.210 114 L HN 0.670 nan 8.230 nan 0.000 0.465 115 R N -0.017 120.461 120.500 -0.037 0.000 2.265 115 R HA 0.426 4.765 4.340 -0.001 0.000 0.314 115 R C -0.230 175.877 176.300 -0.322 0.000 1.053 115 R CA -0.204 55.804 56.100 -0.152 0.000 0.931 115 R CB 1.150 31.414 30.300 -0.060 0.000 1.024 115 R HN 0.818 nan 8.270 nan 0.000 0.457 116 G N 1.716 110.157 108.800 -0.597 0.000 2.461 116 G HA2 0.013 3.972 3.960 -0.001 0.000 0.329 116 G HA3 0.013 3.972 3.960 -0.001 0.000 0.329 116 G C 0.597 175.158 174.900 -0.564 0.000 1.170 116 G CA -0.758 43.735 45.100 -1.011 0.000 0.935 116 G HN 0.844 nan 8.290 nan 0.000 0.492 117 N N -0.514 117.905 118.700 -0.468 0.000 2.585 117 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 117 N C 0.873 176.202 175.510 -0.301 0.000 1.102 117 N CA 1.036 53.835 53.050 -0.418 0.000 0.920 117 N CB -0.213 37.522 38.487 -1.253 0.000 0.963 117 N HN 0.655 nan 8.380 nan 0.000 0.447 118 H N -0.221 118.691 119.070 -0.265 0.000 2.595 118 H HA 0.161 4.716 4.556 -0.001 0.000 0.265 118 H C 0.225 175.480 175.328 -0.121 0.000 0.953 118 H CA 0.141 56.121 56.048 -0.113 0.000 1.197 118 H CB 0.566 30.255 29.762 -0.122 0.000 1.438 118 H HN 0.248 nan 8.280 nan 0.000 0.531 119 E N 1.256 121.288 120.200 -0.280 0.000 2.528 119 E HA 0.031 4.380 4.350 -0.001 0.000 0.237 119 E C -0.023 176.652 176.600 0.125 0.000 1.408 119 E CA -0.158 55.891 56.400 -0.585 0.000 1.571 119 E CB 0.086 29.106 29.700 -1.134 0.000 1.395 119 E HN 0.085 nan 8.360 nan 0.000 0.438 120 S N -0.874 114.984 115.700 0.264 0.000 2.664 120 S HA 0.410 4.879 4.470 -0.001 0.000 0.304 120 S C 0.947 175.801 174.600 0.423 0.000 1.099 120 S CA -0.746 57.650 58.200 0.327 0.000 1.003 120 S CB 1.165 64.539 63.200 0.289 0.000 1.092 120 S HN 0.177 nan 8.310 nan 0.000 0.525 121 R N 0.767 121.490 120.500 0.373 0.000 2.052 121 R HA 0.003 4.342 4.340 -0.001 0.000 0.224 121 R C 2.338 178.998 176.300 0.599 0.000 1.149 121 R CA 1.215 57.618 56.100 0.505 0.000 0.962 121 R CB -0.743 29.786 30.300 0.382 0.000 0.856 121 R HN 0.800 nan 8.270 nan 0.000 0.433 122 Q N 1.038 121.093 119.800 0.425 0.000 2.133 122 Q HA -0.208 4.131 4.340 -0.001 0.000 0.208 122 Q C 1.985 178.210 176.000 0.375 0.000 0.991 122 Q CA 1.771 57.785 55.803 0.352 0.000 0.867 122 Q CB -0.103 28.819 28.738 0.307 0.000 0.911 122 Q HN 0.358 nan 8.270 nan 0.000 0.417 123 I N 0.011 120.839 120.570 0.431 0.000 2.193 123 I HA -0.239 3.931 4.170 -0.001 0.000 0.240 123 I C 2.301 178.784 176.117 0.609 0.000 1.084 123 I CA 1.551 63.152 61.300 0.501 0.000 1.365 123 I CB -0.443 37.764 38.000 0.344 0.000 1.064 123 I HN 0.450 nan 8.210 nan 0.000 0.410 124 T N -1.091 113.861 114.554 0.663 0.000 2.869 124 T HA -0.251 4.098 4.350 -0.001 0.000 0.270 124 T C 1.572 176.725 174.700 0.755 0.000 1.082 124 T CA 1.244 63.853 62.100 0.847 0.000 1.123 124 T CB -0.436 69.134 68.868 1.169 0.000 0.856 124 T HN 0.462 nan 8.240 nan 0.000 0.499 125 Q N 0.594 120.716 119.800 0.536 0.000 1.969 125 Q HA 0.029 4.369 4.340 -0.001 0.000 0.198 125 Q C 2.705 178.677 176.000 -0.047 0.000 0.978 125 Q CA 1.314 57.144 55.803 0.045 0.000 0.830 125 Q CB -0.464 28.146 28.738 -0.213 0.000 0.896 125 Q HN 0.409 nan 8.270 nan 0.000 0.431 126 V N 0.159 120.072 119.914 -0.003 0.000 2.392 126 V HA -0.237 3.883 4.120 -0.001 0.000 0.249 126 V C 1.191 177.133 176.094 -0.252 0.000 1.059 126 V CA 1.654 63.847 62.300 -0.179 0.000 1.051 126 V CB -0.523 31.143 31.823 -0.262 0.000 0.658 126 V HN 0.366 nan 8.190 nan 0.000 0.455 127 Y N -0.023 120.409 120.300 0.221 0.000 2.532 127 Y HA 0.499 5.049 4.550 -0.001 0.000 0.283 127 Y C 1.681 177.750 175.900 0.282 0.000 1.181 127 Y CA 0.518 58.772 58.100 0.257 0.000 1.256 127 Y CB 0.401 39.072 38.460 0.352 0.000 1.112 127 Y HN 0.271 nan 8.280 nan 0.000 0.521 128 G N -0.199 108.807 108.800 0.344 0.000 2.397 128 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.211 128 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.211 128 G C 1.048 176.195 174.900 0.411 0.000 1.077 128 G CA 0.254 45.556 45.100 0.335 0.000 0.649 128 G HN 0.317 nan 8.290 nan 0.000 0.511 129 F N 1.339 121.525 119.950 0.393 0.000 2.154 129 F HA 0.027 4.553 4.527 -0.001 0.000 0.301 129 F C 2.154 178.220 175.800 0.443 0.000 1.087 129 F CA 2.141 60.387 58.000 0.410 0.000 1.274 129 F CB -0.517 38.770 39.000 0.478 0.000 1.009 129 F HN 0.389 nan 8.300 nan 0.000 0.485 130 Y N 1.593 121.995 120.300 0.171 0.000 2.060 130 Y HA -0.254 4.295 4.550 -0.001 0.000 0.276 130 Y C 2.468 178.248 175.900 -0.199 0.000 1.127 130 Y CA 2.298 60.284 58.100 -0.190 0.000 1.104 130 Y CB -0.968 37.341 38.460 -0.252 0.000 0.983 130 Y HN 0.093 nan 8.280 nan 0.000 0.483 131 D N 0.153 120.726 120.400 0.288 0.000 2.116 131 D HA -0.247 4.392 4.640 -0.001 0.000 0.193 131 D C 2.058 178.386 176.300 0.046 0.000 0.998 131 D CA 1.749 55.846 54.000 0.161 0.000 0.836 131 D CB -0.564 40.323 40.800 0.144 0.000 0.951 131 D HN 0.616 nan 8.370 nan 0.000 0.449 132 E N 0.391 120.634 120.200 0.071 0.000 2.070 132 E HA -0.204 4.146 4.350 -0.001 0.000 0.197 132 E C 2.215 178.792 176.600 -0.038 0.000 1.004 132 E CA 1.280 57.706 56.400 0.043 0.000 0.805 132 E CB -0.018 29.747 29.700 0.110 0.000 0.744 132 E HN 0.210 nan 8.360 nan 0.000 0.451 133 C N 0.240 119.473 119.300 -0.111 0.000 2.376 133 C HA -0.210 4.250 4.460 -0.001 0.000 0.275 133 C C 2.575 177.573 174.990 0.014 0.000 1.200 133 C CA 0.690 59.673 59.018 -0.058 0.000 1.756 133 C CB -1.130 26.486 27.740 -0.206 0.000 2.050 133 C HN 0.437 nan 8.230 nan 0.000 0.460 134 L N 0.662 121.831 121.223 -0.089 0.000 1.961 134 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 134 L C 2.503 179.346 176.870 -0.045 0.000 1.072 134 L CA 1.757 56.556 54.840 -0.069 0.000 0.749 134 L CB -1.217 40.777 42.059 -0.109 0.000 0.889 134 L HN 0.297 nan 8.230 nan 0.000 0.432 135 R N -0.044 120.428 120.500 -0.046 0.000 2.438 135 R HA -0.173 4.166 4.340 -0.001 0.000 0.227 135 R C 0.971 177.208 176.300 -0.105 0.000 1.153 135 R CA 1.205 57.276 56.100 -0.049 0.000 1.059 135 R CB -0.005 30.289 30.300 -0.011 0.000 0.831 135 R HN 0.381 nan 8.270 nan 0.000 0.487 136 K N -2.395 117.911 120.400 -0.157 0.000 2.554 136 K HA 0.090 4.409 4.320 -0.001 0.000 0.211 136 K C -0.294 175.964 176.600 -0.571 0.000 1.226 136 K CA -0.046 56.032 56.287 -0.348 0.000 1.025 136 K CB 0.831 33.080 32.500 -0.418 0.000 1.021 136 K HN 0.063 nan 8.250 nan 0.000 0.600 137 Y N -1.173 119.086 120.300 -0.068 0.000 2.438 137 Y HA 0.180 4.729 4.550 -0.002 0.000 0.274 137 Y C 1.471 177.336 175.900 -0.058 0.000 1.085 137 Y CA 0.403 58.469 58.100 -0.057 0.000 1.199 137 Y CB 1.694 40.123 38.460 -0.052 0.000 1.317 137 Y HN 0.120 nan 8.280 nan 0.000 0.545 138 G N 0.789 109.624 108.800 0.059 0.000 2.420 138 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.221 138 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.221 138 G C 0.203 175.097 174.900 -0.011 0.000 1.117 138 G CA 0.347 45.454 45.100 0.012 0.000 0.657 138 G HN 0.522 nan 8.290 nan 0.000 0.512 139 N N 0.044 118.742 118.700 -0.003 0.000 2.592 139 N HA 0.747 5.486 4.740 -0.001 0.000 0.292 139 N C 0.363 175.798 175.510 -0.126 0.000 1.260 139 N CA 0.094 53.106 53.050 -0.064 0.000 0.910 139 N CB 1.369 39.823 38.487 -0.056 0.000 1.257 139 N HN 0.889 nan 8.380 nan 0.000 0.569 140 A N -0.642 122.066 122.820 -0.188 0.000 2.610 140 A HA 0.292 4.611 4.320 -0.001 0.000 0.286 140 A C 0.365 177.852 177.584 -0.161 0.000 1.306 140 A CA -0.489 51.391 52.037 -0.263 0.000 0.942 140 A CB -1.159 17.570 19.000 -0.451 0.000 1.112 140 A HN 0.663 nan 8.150 nan 0.000 0.527 141 N N -0.289 118.252 118.700 -0.264 0.000 2.132 141 N HA -0.088 4.651 4.740 -0.001 0.000 0.187 141 N C 1.450 176.389 175.510 -0.951 0.000 1.038 141 N CA 1.533 54.228 53.050 -0.591 0.000 0.846 141 N CB -0.216 38.001 38.487 -0.449 0.000 1.012 141 N HN 0.174 nan 8.380 nan 0.000 0.429 142 V N 0.043 119.634 119.914 -0.539 0.000 2.688 142 V HA -0.198 3.921 4.120 -0.001 0.000 0.256 142 V C 1.688 177.715 176.094 -0.112 0.000 1.084 142 V CA 1.193 63.289 62.300 -0.340 0.000 1.103 142 V CB -0.622 30.879 31.823 -0.536 0.000 0.688 142 V HN 0.496 nan 8.190 nan 0.000 0.480 143 W N 1.250 122.378 121.300 -0.288 0.000 2.407 143 W HA -0.132 4.527 4.660 -0.002 0.000 0.305 143 W C 2.504 178.962 176.519 -0.102 0.000 1.196 143 W CA 1.847 59.093 57.345 -0.165 0.000 1.311 143 W CB -0.084 29.173 29.460 -0.339 0.000 1.135 143 W HN 0.102 nan 8.180 nan 0.000 0.514 144 K N -0.667 119.605 120.400 -0.214 0.000 2.002 144 K HA -0.253 4.066 4.320 -0.001 0.000 0.209 144 K C 2.008 178.391 176.600 -0.360 0.000 1.048 144 K CA 2.077 58.136 56.287 -0.380 0.000 0.930 144 K CB -0.938 31.413 32.500 -0.249 0.000 0.714 144 K HN 0.159 nan 8.250 nan 0.000 0.438 145 Y N -0.146 120.010 120.300 -0.241 0.000 2.241 145 Y HA -0.197 4.351 4.550 -0.002 0.000 0.286 145 Y C 2.074 177.757 175.900 -0.363 0.000 1.166 145 Y CA 0.949 58.862 58.100 -0.312 0.000 1.203 145 Y CB -0.698 37.523 38.460 -0.399 0.000 0.977 145 Y HN 0.064 nan 8.280 nan 0.000 0.529 146 F N 0.173 119.975 119.950 -0.247 0.000 2.094 146 F HA -0.120 4.406 4.527 -0.001 0.000 0.291 146 F C 2.560 177.729 175.800 -1.052 0.000 1.109 146 F CA 1.655 59.337 58.000 -0.530 0.000 1.221 146 F CB -1.328 37.462 39.000 -0.351 0.000 1.014 146 F HN 0.015 nan 8.300 nan 0.000 0.473 147 T N -1.672 112.397 114.554 -0.808 0.000 2.822 147 T HA -0.204 4.145 4.350 -0.001 0.000 0.270 147 T C 1.321 175.828 174.700 -0.322 0.000 1.064 147 T CA 1.709 63.356 62.100 -0.756 0.000 1.131 147 T CB -0.517 67.769 68.868 -0.970 0.000 0.858 147 T HN 0.103 nan 8.240 nan 0.000 0.483 148 D N 1.229 121.484 120.400 -0.242 0.000 2.084 148 D HA 0.033 4.672 4.640 -0.001 0.000 0.199 148 D C 1.971 178.338 176.300 0.112 0.000 0.981 148 D CA 0.523 54.512 54.000 -0.017 0.000 0.841 148 D CB -0.713 40.079 40.800 -0.013 0.000 0.997 148 D HN 0.226 nan 8.370 nan 0.000 0.454 149 L N 0.433 121.647 121.223 -0.015 0.000 2.151 149 L HA -0.212 4.127 4.340 -0.001 0.000 0.215 149 L C 1.779 178.849 176.870 0.333 0.000 1.084 149 L CA 1.619 56.471 54.840 0.020 0.000 0.764 149 L CB -0.776 41.289 42.059 0.011 0.000 0.891 149 L HN -0.033 nan 8.230 nan 0.000 0.435 150 F N 0.363 120.404 119.950 0.150 0.000 2.202 150 F HA -0.208 4.319 4.527 -0.001 0.000 0.301 150 F C 2.442 178.337 175.800 0.159 0.000 1.082 150 F CA 1.176 59.254 58.000 0.129 0.000 1.313 150 F CB -1.254 37.790 39.000 0.073 0.000 1.024 150 F HN 0.302 nan 8.300 nan 0.000 0.495 151 D N -0.889 119.750 120.400 0.398 0.000 2.117 151 D HA -0.214 4.425 4.640 -0.001 0.000 0.197 151 D C 2.073 178.506 176.300 0.221 0.000 0.987 151 D CA 1.290 55.441 54.000 0.252 0.000 0.829 151 D CB -0.506 40.394 40.800 0.167 0.000 0.961 151 D HN 0.294 nan 8.370 nan 0.000 0.460 152 Y N 1.084 121.451 120.300 0.112 0.000 2.569 152 Y HA 0.012 4.561 4.550 -0.001 0.000 0.293 152 Y C 1.291 177.247 175.900 0.092 0.000 1.144 152 Y CA 0.018 58.172 58.100 0.090 0.000 1.321 152 Y CB -0.598 37.910 38.460 0.080 0.000 0.982 152 Y HN -0.076 nan 8.280 nan 0.000 0.558 153 L N 2.479 123.858 121.223 0.261 0.000 2.490 153 L HA 0.059 4.398 4.340 -0.001 0.000 0.274 153 L C -2.037 174.907 176.870 0.123 0.000 1.201 153 L CA -1.758 53.186 54.840 0.174 0.000 0.869 153 L CB 0.213 42.356 42.059 0.141 0.000 1.123 153 L HN -0.127 nan 8.230 nan 0.000 0.484 154 P HA 0.010 nan 4.420 nan 0.000 0.268 154 P C 0.526 177.873 177.300 0.078 0.000 1.205 154 P CA 0.027 63.186 63.100 0.097 0.000 0.771 154 P CB 0.642 32.404 31.700 0.103 0.000 0.858 155 L N 0.643 121.913 121.223 0.078 0.000 2.127 155 L HA 0.055 4.394 4.340 -0.001 0.000 0.203 155 L C 1.422 178.319 176.870 0.045 0.000 1.080 155 L CA 1.327 56.203 54.840 0.061 0.000 0.768 155 L CB -0.567 41.539 42.059 0.079 0.000 0.924 155 L HN 0.511 nan 8.230 nan 0.000 0.444 156 T N -3.050 111.557 114.554 0.089 0.000 2.669 156 T HA 0.804 5.153 4.350 -0.001 0.000 0.283 156 T C -0.943 173.837 174.700 0.133 0.000 1.019 156 T CA -0.324 61.812 62.100 0.061 0.000 1.039 156 T CB 2.562 71.513 68.868 0.140 0.000 1.374 156 T HN 0.069 nan 8.240 nan 0.000 0.523 157 A N 0.047 122.963 122.820 0.159 0.000 2.594 157 A HA 0.761 5.080 4.320 -0.001 0.000 0.295 157 A C -2.021 175.737 177.584 0.290 0.000 1.071 157 A CA -0.768 51.383 52.037 0.190 0.000 0.685 157 A CB 1.742 20.810 19.000 0.114 0.000 1.285 157 A HN 1.196 nan 8.150 nan 0.000 0.405 158 L N 1.925 123.282 121.223 0.223 0.000 2.372 158 L HA 0.658 4.997 4.340 -0.001 0.000 0.273 158 L C -1.277 175.672 176.870 0.133 0.000 0.989 158 L CA -0.389 54.576 54.840 0.208 0.000 0.841 158 L CB 1.626 43.775 42.059 0.151 0.000 1.225 158 L HN 0.438 nan 8.230 nan 0.000 0.414 159 V N 5.397 125.388 119.914 0.127 0.000 2.368 159 V HA 0.281 4.400 4.120 -0.001 0.000 0.266 159 V C 0.245 176.384 176.094 0.075 0.000 1.045 159 V CA -0.128 62.225 62.300 0.089 0.000 0.899 159 V CB 0.601 32.472 31.823 0.081 0.000 1.006 159 V HN 0.931 nan 8.190 nan 0.000 0.470 160 D N 4.562 124.995 120.400 0.056 0.000 2.800 160 D HA -0.170 4.469 4.640 -0.001 0.000 0.232 160 D C 1.354 177.678 176.300 0.040 0.000 1.137 160 D CA 1.408 55.434 54.000 0.043 0.000 0.718 160 D CB -0.951 39.874 40.800 0.041 0.000 1.084 160 D HN 1.203 nan 8.370 nan 0.000 0.432 161 G N -0.940 107.884 108.800 0.040 0.000 2.225 161 G HA2 -0.447 3.513 3.960 -0.001 0.000 0.272 161 G HA3 -0.447 3.513 3.960 -0.001 0.000 0.272 161 G C 0.839 175.753 174.900 0.024 0.000 0.996 161 G CA 1.476 46.590 45.100 0.023 0.000 0.710 161 G HN 0.560 nan 8.290 nan 0.000 0.522 162 Q N -1.201 118.632 119.800 0.054 0.000 2.631 162 Q HA 0.405 4.744 4.340 -0.001 0.000 0.220 162 Q C 1.127 177.197 176.000 0.118 0.000 0.819 162 Q CA -0.027 55.816 55.803 0.067 0.000 0.914 162 Q CB 0.721 29.500 28.738 0.069 0.000 1.248 162 Q HN 0.522 nan 8.270 nan 0.000 0.629 163 I N 2.263 122.918 120.570 0.143 0.000 2.337 163 I HA 0.103 4.272 4.170 -0.001 0.000 0.291 163 I C -0.757 175.523 176.117 0.271 0.000 1.046 163 I CA -0.531 60.883 61.300 0.190 0.000 1.324 163 I CB 0.467 38.556 38.000 0.149 0.000 1.409 163 I HN 0.079 nan 8.210 nan 0.000 0.494 164 F N 7.496 127.515 119.950 0.115 0.000 2.424 164 F HA 0.311 4.837 4.527 -0.001 0.000 0.356 164 F C -0.160 175.703 175.800 0.104 0.000 1.110 164 F CA -1.208 56.869 58.000 0.128 0.000 1.161 164 F CB 0.517 39.637 39.000 0.200 0.000 1.115 164 F HN 0.345 nan 8.300 nan 0.000 0.507 165 C N 8.637 127.873 119.300 -0.106 0.000 2.316 165 C HA 0.709 5.168 4.460 -0.001 0.000 0.324 165 C C -0.195 174.581 174.990 -0.357 0.000 1.226 165 C CA -0.976 57.922 59.018 -0.201 0.000 1.450 165 C CB -0.610 27.108 27.740 -0.035 0.000 2.123 165 C HN 0.823 nan 8.230 nan 0.000 0.454 166 L N 0.441 121.428 121.223 -0.393 0.000 2.359 166 L HA 0.681 5.021 4.340 -0.001 0.000 0.256 166 L C 0.848 177.627 176.870 -0.151 0.000 1.026 166 L CA -0.667 53.991 54.840 -0.304 0.000 0.828 166 L CB 0.983 42.770 42.059 -0.454 0.000 1.406 166 L HN 0.514 nan 8.230 nan 0.000 0.413 167 H N 0.862 119.808 119.070 -0.207 0.000 2.265 167 H HA 0.153 4.709 4.556 -0.001 0.000 0.305 167 H C 1.471 176.679 175.328 -0.199 0.000 1.054 167 H CA 2.330 58.256 56.048 -0.203 0.000 1.296 167 H CB -0.175 29.433 29.762 -0.257 0.000 1.395 167 H HN 0.858 nan 8.280 nan 0.000 0.502 168 G N -1.286 107.309 108.800 -0.342 0.000 2.622 168 G HA2 0.358 4.317 3.960 -0.001 0.000 0.206 168 G HA3 0.358 4.317 3.960 -0.001 0.000 0.206 168 G C 0.380 175.226 174.900 -0.091 0.000 1.458 168 G CA 0.569 45.413 45.100 -0.426 0.000 0.919 168 G HN 0.843 nan 8.290 nan 0.000 0.508 169 G N -2.082 106.717 108.800 -0.001 0.000 2.428 169 G HA2 0.416 4.375 3.960 -0.001 0.000 0.304 169 G HA3 0.416 4.375 3.960 -0.001 0.000 0.304 169 G C -0.981 173.850 174.900 -0.115 0.000 1.303 169 G CA -0.872 44.271 45.100 0.072 0.000 0.825 169 G HN 0.476 nan 8.290 nan 0.000 0.484 170 L N 0.765 121.669 121.223 -0.531 0.000 2.506 170 L HA 0.419 4.758 4.340 -0.001 0.000 0.281 170 L C 0.890 177.684 176.870 -0.128 0.000 1.228 170 L CA 0.132 54.649 54.840 -0.538 0.000 0.850 170 L CB 0.933 42.410 42.059 -0.969 0.000 1.110 170 L HN 0.476 nan 8.230 nan 0.000 0.496 171 S N 1.689 117.299 115.700 -0.149 0.000 2.568 171 S HA 0.518 4.987 4.470 -0.001 0.000 0.302 171 S C -1.999 172.158 174.600 -0.739 0.000 1.082 171 S CA -1.506 56.468 58.200 -0.377 0.000 1.009 171 S CB 1.960 65.033 63.200 -0.211 0.000 1.069 171 S HN 0.317 nan 8.310 nan 0.000 0.500 172 P HA 0.041 nan 4.420 nan 0.000 0.221 172 P C 0.633 177.628 177.300 -0.509 0.000 1.155 172 P CA 0.543 62.831 63.100 -1.354 0.000 0.812 172 P CB 0.057 30.578 31.700 -1.964 0.000 0.801 173 S N -1.014 114.415 115.700 -0.452 0.000 2.763 173 S HA 0.266 4.735 4.470 -0.001 0.000 0.237 173 S C 0.409 174.853 174.600 -0.260 0.000 0.966 173 S CA -0.094 57.935 58.200 -0.285 0.000 1.017 173 S CB -1.066 61.994 63.200 -0.234 0.000 0.780 173 S HN 0.021 nan 8.310 nan 0.000 0.476 174 I N 0.859 121.315 120.570 -0.189 0.000 2.649 174 I HA 0.297 4.466 4.170 -0.001 0.000 0.289 174 I C -0.923 175.343 176.117 0.248 0.000 1.222 174 I CA -0.387 60.864 61.300 -0.083 0.000 1.046 174 I CB 2.372 40.401 38.000 0.048 0.000 1.272 174 I HN 0.061 nan 8.210 nan 0.000 0.425 175 D N 2.205 122.938 120.400 0.555 0.000 2.348 175 D HA 0.079 4.718 4.640 -0.001 0.000 0.283 175 D C 0.460 176.957 176.300 0.328 0.000 1.096 175 D CA 0.578 54.941 54.000 0.604 0.000 0.863 175 D CB 1.487 42.548 40.800 0.436 0.000 1.465 175 D HN 0.609 nan 8.370 nan 0.000 0.515 176 T N -1.913 112.803 114.554 0.270 0.000 2.916 176 T HA 0.478 4.828 4.350 -0.001 0.000 0.292 176 T C 1.356 175.971 174.700 -0.142 0.000 1.055 176 T CA -0.702 61.242 62.100 -0.260 0.000 1.009 176 T CB 1.876 70.447 68.868 -0.494 0.000 1.118 176 T HN -0.189 nan 8.240 nan 0.000 0.497 177 L N 0.526 121.612 121.223 -0.228 0.000 2.127 177 L HA -0.085 4.254 4.340 -0.001 0.000 0.211 177 L C 2.134 178.981 176.870 -0.039 0.000 1.089 177 L CA 1.372 56.138 54.840 -0.124 0.000 0.757 177 L CB -0.554 41.388 42.059 -0.195 0.000 0.899 177 L HN 0.735 nan 8.230 nan 0.000 0.434 178 D N -0.823 119.510 120.400 -0.113 0.000 2.218 178 D HA -0.178 4.461 4.640 -0.001 0.000 0.204 178 D C 1.891 178.202 176.300 0.019 0.000 0.976 178 D CA 1.209 55.168 54.000 -0.068 0.000 0.853 178 D CB -0.216 40.510 40.800 -0.123 0.000 0.939 178 D HN 0.553 nan 8.370 nan 0.000 0.481 179 H N 0.323 119.410 119.070 0.027 0.000 2.387 179 H HA -0.033 4.522 4.556 -0.001 0.000 0.299 179 H C 2.290 177.655 175.328 0.061 0.000 1.099 179 H CA 0.626 56.702 56.048 0.046 0.000 1.315 179 H CB 0.198 30.002 29.762 0.071 0.000 1.380 179 H HN 0.123 nan 8.280 nan 0.000 0.513 180 I N 0.318 121.019 120.570 0.217 0.000 2.333 180 I HA -0.187 3.983 4.170 -0.001 0.000 0.246 180 I C 2.201 178.391 176.117 0.123 0.000 1.106 180 I CA 0.887 62.292 61.300 0.175 0.000 1.411 180 I CB -0.172 37.961 38.000 0.221 0.000 1.082 180 I HN 0.194 nan 8.210 nan 0.000 0.420 181 R N 1.145 121.703 120.500 0.098 0.000 2.152 181 R HA -0.109 4.230 4.340 -0.001 0.000 0.232 181 R C 2.348 178.683 176.300 0.060 0.000 1.117 181 R CA 1.398 57.540 56.100 0.069 0.000 0.981 181 R CB -0.470 29.857 30.300 0.045 0.000 0.870 181 R HN 0.363 nan 8.270 nan 0.000 0.451 182 A N 1.673 124.534 122.820 0.069 0.000 1.968 182 A HA 0.015 4.334 4.320 -0.001 0.000 0.217 182 A C 1.207 178.823 177.584 0.053 0.000 1.169 182 A CA 0.417 52.490 52.037 0.060 0.000 0.638 182 A CB -0.296 18.751 19.000 0.079 0.000 0.812 182 A HN 0.098 nan 8.150 nan 0.000 0.446 183 L N 0.666 121.928 121.223 0.064 0.000 2.483 183 L HA 0.125 4.464 4.340 -0.001 0.000 0.276 183 L C -0.079 176.812 176.870 0.036 0.000 1.213 183 L CA -0.288 54.582 54.840 0.050 0.000 0.843 183 L CB 0.095 42.191 42.059 0.063 0.000 1.107 183 L HN 0.239 nan 8.230 nan 0.000 0.487 184 D N 1.573 121.986 120.400 0.022 0.000 2.380 184 D HA 0.130 4.769 4.640 -0.001 0.000 0.230 184 D C 1.026 177.329 176.300 0.005 0.000 1.154 184 D CA -0.522 53.482 54.000 0.006 0.000 0.859 184 D CB 0.841 41.639 40.800 -0.004 0.000 1.045 184 D HN 0.489 nan 8.370 nan 0.000 0.495 185 R N 3.735 124.236 120.500 0.003 0.000 2.246 185 R HA 0.111 4.451 4.340 -0.001 0.000 0.199 185 R C 0.572 176.860 176.300 -0.020 0.000 0.984 185 R CA 0.047 56.152 56.100 0.009 0.000 1.015 185 R CB -0.186 30.132 30.300 0.030 0.000 0.930 185 R HN 0.397 nan 8.270 nan 0.000 0.475 186 L N 3.796 124.973 121.223 -0.078 0.000 2.679 186 L HA 0.006 4.345 4.340 -0.001 0.000 0.241 186 L C -0.251 176.572 176.870 -0.078 0.000 1.441 186 L CA 0.404 55.150 54.840 -0.156 0.000 1.181 186 L CB -0.923 40.981 42.059 -0.257 0.000 1.451 186 L HN 0.452 nan 8.230 nan 0.000 0.446 187 Q N -1.581 118.208 119.800 -0.018 0.000 2.633 187 Q HA 0.406 4.745 4.340 -0.001 0.000 0.289 187 Q C -1.000 175.025 176.000 0.042 0.000 0.940 187 Q CA -1.094 54.713 55.803 0.008 0.000 0.785 187 Q CB 1.319 30.056 28.738 -0.001 0.000 1.467 187 Q HN -0.045 nan 8.270 nan 0.000 0.401 188 E N 0.459 120.685 120.200 0.045 0.000 2.415 188 E HA 0.164 4.513 4.350 -0.001 0.000 0.262 188 E C -0.821 175.810 176.600 0.051 0.000 1.038 188 E CA -0.173 56.267 56.400 0.067 0.000 0.921 188 E CB 1.032 30.766 29.700 0.057 0.000 0.950 188 E HN 0.438 nan 8.360 nan 0.000 0.438 189 V N 6.854 126.824 119.914 0.093 0.000 2.458 189 V HA 0.110 4.230 4.120 -0.001 0.000 0.287 189 V C -1.853 174.248 176.094 0.012 0.000 1.009 189 V CA -0.977 61.384 62.300 0.102 0.000 1.091 189 V CB 0.195 32.147 31.823 0.215 0.000 0.960 189 V HN 0.737 nan 8.190 nan 0.000 0.476 190 P HA 0.176 nan 4.420 nan 0.000 0.272 190 P C 0.648 177.883 177.300 -0.109 0.000 1.223 190 P CA -0.259 62.766 63.100 -0.125 0.000 0.784 190 P CB 0.478 32.147 31.700 -0.053 0.000 0.923 191 H N 0.108 119.141 119.070 -0.062 0.000 2.462 191 H HA 0.076 4.631 4.556 -0.001 0.000 0.292 191 H C 0.443 175.684 175.328 -0.145 0.000 1.049 191 H CA 1.187 57.152 56.048 -0.137 0.000 1.334 191 H CB 0.302 30.000 29.762 -0.107 0.000 1.404 191 H HN 0.524 nan 8.280 nan 0.000 0.544 192 E N -1.258 118.959 120.200 0.029 0.000 2.431 192 E HA 0.514 4.864 4.350 -0.001 0.000 0.268 192 E C -0.177 176.437 176.600 0.023 0.000 0.953 192 E CA -0.496 55.915 56.400 0.018 0.000 0.810 192 E CB 3.042 32.757 29.700 0.026 0.000 1.369 192 E HN 0.271 nan 8.360 nan 0.000 0.440 193 G N 0.851 109.674 108.800 0.039 0.000 2.619 193 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.686 193 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.686 193 G C -2.352 172.559 174.900 0.018 0.000 1.256 193 G CA -0.526 44.582 45.100 0.014 0.000 0.826 193 G HN 0.388 nan 8.290 nan 0.000 0.619 194 P HA -0.132 nan 4.420 nan 0.000 0.221 194 P C 1.953 179.275 177.300 0.037 0.000 1.150 194 P CA 1.616 64.705 63.100 -0.018 0.000 0.800 194 P CB 0.088 31.758 31.700 -0.050 0.000 0.787 195 M N 0.118 119.747 119.600 0.048 0.000 2.077 195 M HA -0.144 4.335 4.480 -0.001 0.000 0.261 195 M C 2.547 178.915 176.300 0.114 0.000 1.070 195 M CA 2.238 57.582 55.300 0.072 0.000 1.125 195 M CB -0.792 31.845 32.600 0.060 0.000 1.339 195 M HN 0.090 nan 8.290 nan 0.000 0.409 196 C N 0.991 120.365 119.300 0.124 0.000 2.413 196 C HA -0.195 4.264 4.460 -0.001 0.000 0.277 196 C C 1.951 177.123 174.990 0.303 0.000 1.228 196 C CA 1.802 60.950 59.018 0.216 0.000 1.731 196 C CB -1.432 26.353 27.740 0.075 0.000 2.042 196 C HN 0.590 nan 8.230 nan 0.000 0.468 197 D N 0.993 121.509 120.400 0.192 0.000 2.149 197 D HA -0.139 4.501 4.640 -0.001 0.000 0.194 197 D C 2.107 178.502 176.300 0.159 0.000 1.001 197 D CA 1.610 55.733 54.000 0.205 0.000 0.849 197 D CB -0.469 40.401 40.800 0.117 0.000 0.939 197 D HN 0.602 nan 8.370 nan 0.000 0.449 198 L N -0.561 120.721 121.223 0.098 0.000 2.191 198 L HA -0.135 4.204 4.340 -0.001 0.000 0.212 198 L C 1.273 178.139 176.870 -0.006 0.000 1.103 198 L CA 0.510 55.371 54.840 0.035 0.000 0.769 198 L CB -0.084 42.001 42.059 0.044 0.000 0.908 198 L HN 0.096 nan 8.230 nan 0.000 0.438 199 L N -2.917 118.332 121.223 0.043 0.000 2.667 199 L HA 0.066 4.405 4.340 -0.001 0.000 0.232 199 L C 0.860 177.431 176.870 -0.498 0.000 1.138 199 L CA 0.788 55.557 54.840 -0.119 0.000 0.921 199 L CB -0.020 42.021 42.059 -0.031 0.000 1.180 199 L HN 0.194 nan 8.230 nan 0.000 0.487 200 W N -2.417 118.749 121.300 -0.223 0.000 2.576 200 W HA 0.278 4.937 4.660 -0.002 0.000 0.236 200 W C 1.172 177.704 176.519 0.022 0.000 0.989 200 W CA -0.147 57.090 57.345 -0.180 0.000 1.254 200 W CB 0.126 29.603 29.460 0.028 0.000 0.857 200 W HN -0.266 nan 8.180 nan 0.000 0.662 201 S N 1.983 117.854 115.700 0.285 0.000 2.566 201 S HA 0.089 4.558 4.470 -0.001 0.000 0.280 201 S C -0.235 174.600 174.600 0.392 0.000 1.343 201 S CA 0.281 58.730 58.200 0.414 0.000 1.036 201 S CB 0.363 63.873 63.200 0.517 0.000 0.866 201 S HN 0.005 nan 8.310 nan 0.000 0.526 202 D N 1.943 122.537 120.400 0.323 0.000 2.671 202 D HA 0.376 5.015 4.640 -0.001 0.000 0.232 202 D C -2.815 173.229 176.300 -0.427 0.000 1.114 202 D CA -1.428 52.601 54.000 0.049 0.000 0.858 202 D CB 2.227 43.056 40.800 0.048 0.000 1.544 202 D HN 0.197 nan 8.370 nan 0.000 0.471 203 P HA 0.196 nan 4.420 nan 0.000 0.285 203 P C -1.066 175.975 177.300 -0.433 0.000 1.448 203 P CA -0.419 62.037 63.100 -1.072 0.000 0.953 203 P CB 0.929 31.991 31.700 -1.063 0.000 1.175 204 D N 1.838 122.096 120.400 -0.237 0.000 2.529 204 D HA 0.171 4.810 4.640 -0.001 0.000 0.273 204 D C 0.444 176.766 176.300 0.037 0.000 1.197 204 D CA -0.543 53.412 54.000 -0.075 0.000 1.070 204 D CB 0.521 41.294 40.800 -0.046 0.000 1.134 204 D HN 0.213 nan 8.370 nan 0.000 0.590 205 D N -1.319 119.089 120.400 0.014 0.000 2.525 205 D HA 0.035 4.674 4.640 -0.001 0.000 0.229 205 D C -0.267 176.024 176.300 -0.016 0.000 1.202 205 D CA -0.484 53.526 54.000 0.016 0.000 0.828 205 D CB -0.247 40.563 40.800 0.016 0.000 1.008 205 D HN 0.502 nan 8.370 nan 0.000 0.493 206 R N -0.026 120.464 120.500 -0.017 0.000 2.320 206 R HA 0.553 4.892 4.340 -0.001 0.000 0.319 206 R C 0.492 176.775 176.300 -0.028 0.000 0.969 206 R CA -0.822 55.268 56.100 -0.017 0.000 0.857 206 R CB 0.858 31.159 30.300 0.002 0.000 1.160 206 R HN -0.110 nan 8.270 nan 0.000 0.491 207 G N 2.400 111.169 108.800 -0.051 0.000 2.754 207 G HA2 0.124 4.083 3.960 -0.001 0.000 0.228 207 G HA3 0.124 4.083 3.960 -0.001 0.000 0.228 207 G C 0.793 175.650 174.900 -0.072 0.000 1.016 207 G CA 0.439 45.494 45.100 -0.075 0.000 0.898 207 G HN 1.113 nan 8.290 nan 0.000 0.463 208 G N 1.259 109.969 108.800 -0.149 0.000 2.649 208 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.281 208 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.281 208 G C 0.347 175.154 174.900 -0.155 0.000 1.325 208 G CA 0.365 45.319 45.100 -0.242 0.000 0.916 208 G HN 1.128 nan 8.290 nan 0.000 0.562 209 W N -0.063 121.305 121.300 0.112 0.000 2.158 209 W HA 0.497 5.156 4.660 -0.001 0.000 0.339 209 W C 0.888 177.512 176.519 0.176 0.000 1.294 209 W CA 0.359 57.800 57.345 0.160 0.000 1.231 209 W CB 0.817 30.327 29.460 0.083 0.000 1.143 209 W HN 0.843 nan 8.180 nan 0.000 0.571 210 G N 1.526 110.620 108.800 0.490 0.000 2.672 210 G HA2 0.640 4.599 3.960 -0.001 0.000 0.292 210 G HA3 0.640 4.599 3.960 -0.001 0.000 0.292 210 G C -1.527 173.548 174.900 0.291 0.000 1.375 210 G CA -1.259 44.026 45.100 0.308 0.000 0.890 210 G HN 0.450 nan 8.290 nan 0.000 0.476 211 I N 1.863 122.528 120.570 0.158 0.000 2.406 211 I HA 0.087 4.256 4.170 -0.001 0.000 0.293 211 I C 1.175 177.306 176.117 0.023 0.000 1.101 211 I CA -0.009 61.318 61.300 0.045 0.000 1.334 211 I CB 1.186 39.196 38.000 0.017 0.000 1.421 211 I HN 0.367 nan 8.210 nan 0.000 0.513 212 S N 9.528 125.216 115.700 -0.020 0.000 2.571 212 S HA 0.080 4.549 4.470 -0.001 0.000 0.297 212 S C -0.942 173.668 174.600 0.016 0.000 1.234 212 S CA -1.109 57.109 58.200 0.029 0.000 1.120 212 S CB 0.321 63.543 63.200 0.036 0.000 0.923 212 S HN 0.475 nan 8.310 nan 0.000 0.504 213 P HA -0.017 nan 4.420 nan 0.000 0.250 213 P C 0.612 177.941 177.300 0.047 0.000 1.239 213 P CA 0.279 63.395 63.100 0.027 0.000 0.756 213 P CB 0.099 31.813 31.700 0.024 0.000 1.013 214 R N -1.200 119.346 120.500 0.077 0.000 2.206 214 R HA 0.178 4.517 4.340 -0.001 0.000 0.198 214 R C 1.768 178.111 176.300 0.072 0.000 0.986 214 R CA 1.011 57.196 56.100 0.141 0.000 1.029 214 R CB -0.418 30.058 30.300 0.292 0.000 0.966 214 R HN 0.281 nan 8.270 nan 0.000 0.487 215 G N 0.324 109.114 108.800 -0.017 0.000 2.213 215 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.236 215 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.236 215 G C 0.048 174.814 174.900 -0.223 0.000 0.991 215 G CA 0.079 45.112 45.100 -0.111 0.000 0.629 215 G HN 0.639 nan 8.290 nan 0.000 0.517 216 A N -0.591 122.095 122.820 -0.223 0.000 2.475 216 A HA 1.056 5.375 4.320 -0.001 0.000 0.301 216 A C 1.134 178.679 177.584 -0.065 0.000 1.059 216 A CA 1.104 52.914 52.037 -0.378 0.000 0.710 216 A CB 1.226 19.523 19.000 -1.172 0.000 1.288 216 A HN 2.309 nan 8.150 nan 0.000 0.408 217 G N -0.293 108.476 108.800 -0.052 0.000 2.698 217 G HA2 0.048 4.008 3.960 -0.001 0.000 0.233 217 G HA3 0.048 4.008 3.960 -0.001 0.000 0.233 217 G C -0.613 174.285 174.900 -0.003 0.000 1.352 217 G CA 0.403 45.607 45.100 0.173 0.000 0.879 217 G HN 1.490 nan 8.290 nan 0.000 0.567 218 Y N -0.960 119.464 120.300 0.206 0.000 2.790 218 Y HA 0.771 5.321 4.550 -0.001 0.000 0.323 218 Y C 0.900 177.027 175.900 0.379 0.000 1.230 218 Y CA -0.091 58.163 58.100 0.258 0.000 1.121 218 Y CB 1.658 40.265 38.460 0.246 0.000 1.328 218 Y HN 1.112 nan 8.280 nan 0.000 0.514 219 T N -0.455 114.446 114.554 0.579 0.000 2.841 219 T HA 0.765 5.114 4.350 -0.001 0.000 0.283 219 T C -1.250 173.740 174.700 0.483 0.000 1.000 219 T CA -0.611 61.713 62.100 0.374 0.000 0.977 219 T CB 0.598 69.569 68.868 0.172 0.000 0.979 219 T HN 0.433 nan 8.240 nan 0.000 0.446 220 F N 0.130 120.220 119.950 0.233 0.000 2.551 220 F HA 0.896 5.422 4.527 -0.001 0.000 0.316 220 F C 0.181 176.023 175.800 0.071 0.000 1.089 220 F CA -1.434 56.594 58.000 0.046 0.000 0.915 220 F CB 1.039 39.991 39.000 -0.081 0.000 1.186 220 F HN 0.899 nan 8.300 nan 0.000 0.456 221 G N 0.702 109.488 108.800 -0.023 0.000 2.531 221 G HA2 0.302 4.261 3.960 -0.001 0.000 0.313 221 G HA3 0.302 4.261 3.960 -0.001 0.000 0.313 221 G C 0.171 174.698 174.900 -0.621 0.000 1.238 221 G CA -0.642 44.322 45.100 -0.226 0.000 0.994 221 G HN 0.946 nan 8.290 nan 0.000 0.493 222 Q N -0.436 118.770 119.800 -0.990 0.000 2.118 222 Q HA -0.255 4.085 4.340 -0.001 0.000 0.211 222 Q C 2.182 177.985 176.000 -0.328 0.000 0.998 222 Q CA 2.735 58.034 55.803 -0.840 0.000 0.872 222 Q CB -0.181 28.327 28.738 -0.383 0.000 0.925 222 Q HN 0.779 nan 8.270 nan 0.000 0.414 223 D N 0.066 120.323 120.400 -0.238 0.000 2.126 223 D HA -0.256 4.383 4.640 -0.001 0.000 0.190 223 D C 1.894 178.116 176.300 -0.129 0.000 1.001 223 D CA 1.783 55.692 54.000 -0.151 0.000 0.841 223 D CB -0.710 40.002 40.800 -0.148 0.000 0.949 223 D HN 0.483 nan 8.370 nan 0.000 0.446 224 I N 0.947 121.404 120.570 -0.188 0.000 2.226 224 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 224 I C 2.731 178.835 176.117 -0.020 0.000 1.100 224 I CA 1.150 62.322 61.300 -0.215 0.000 1.374 224 I CB -0.197 37.496 38.000 -0.513 0.000 1.057 224 I HN 0.004 nan 8.210 nan 0.000 0.413 225 S N 0.407 116.170 115.700 0.106 0.000 2.356 225 S HA -0.204 4.265 4.470 -0.001 0.000 0.223 225 S C 1.791 176.523 174.600 0.222 0.000 1.032 225 S CA 1.391 59.744 58.200 0.256 0.000 1.005 225 S CB -0.333 63.183 63.200 0.526 0.000 0.867 225 S HN 0.477 nan 8.310 nan 0.000 0.449 226 E N 0.731 121.010 120.200 0.132 0.000 2.058 226 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 226 E C 2.203 178.882 176.600 0.131 0.000 0.997 226 E CA 1.584 58.052 56.400 0.114 0.000 0.801 226 E CB -0.459 29.264 29.700 0.038 0.000 0.746 226 E HN 0.388 nan 8.360 nan 0.000 0.450 227 T N 0.924 115.536 114.554 0.097 0.000 2.652 227 T HA -0.186 4.164 4.350 -0.001 0.000 0.267 227 T C 1.513 176.335 174.700 0.204 0.000 1.039 227 T CA 1.252 63.415 62.100 0.106 0.000 1.153 227 T CB -0.473 68.437 68.868 0.071 0.000 0.863 227 T HN 0.118 nan 8.240 nan 0.000 0.428 228 F N 2.770 122.763 119.950 0.071 0.000 2.069 228 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 228 F C 2.288 178.131 175.800 0.072 0.000 1.113 228 F CA 1.327 59.371 58.000 0.073 0.000 1.214 228 F CB -0.403 38.639 39.000 0.070 0.000 0.978 228 F HN 0.101 nan 8.300 nan 0.000 0.474 229 N N -0.711 118.145 118.700 0.260 0.000 2.104 229 N HA -0.252 4.487 4.740 -0.001 0.000 0.190 229 N C 2.080 177.620 175.510 0.050 0.000 1.024 229 N CA 1.577 54.718 53.050 0.152 0.000 0.853 229 N CB -1.023 37.585 38.487 0.203 0.000 1.008 229 N HN 0.486 nan 8.380 nan 0.000 0.424 230 H N 1.114 120.188 119.070 0.007 0.000 2.299 230 H HA 0.063 4.619 4.556 -0.001 0.000 0.302 230 H C 1.686 176.971 175.328 -0.071 0.000 1.078 230 H CA 1.734 57.771 56.048 -0.019 0.000 1.323 230 H CB -0.140 29.621 29.762 -0.001 0.000 1.381 230 H HN 0.134 nan 8.280 nan 0.000 0.498 231 A N 0.872 123.719 122.820 0.045 0.000 2.019 231 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 231 A C 1.906 179.333 177.584 -0.262 0.000 1.164 231 A CA 1.503 53.496 52.037 -0.074 0.000 0.644 231 A CB -0.244 18.745 19.000 -0.017 0.000 0.805 231 A HN 0.613 nan 8.150 nan 0.000 0.449 232 N N -0.932 117.560 118.700 -0.347 0.000 2.234 232 N HA 0.190 4.929 4.740 -0.001 0.000 0.227 232 N C 0.669 176.025 175.510 -0.258 0.000 1.151 232 N CA 0.594 53.418 53.050 -0.377 0.000 0.865 232 N CB 0.585 38.701 38.487 -0.619 0.000 1.066 232 N HN 0.510 nan 8.380 nan 0.000 0.515 233 G N 1.846 110.513 108.800 -0.221 0.000 2.366 233 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.299 233 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.299 233 G C -0.154 174.695 174.900 -0.085 0.000 1.020 233 G CA 0.387 45.396 45.100 -0.153 0.000 1.026 233 G HN 0.256 nan 8.290 nan 0.000 0.512 234 L N -0.987 120.205 121.223 -0.052 0.000 2.334 234 L HA 0.563 4.902 4.340 -0.001 0.000 0.272 234 L C 1.605 178.523 176.870 0.079 0.000 1.020 234 L CA -0.723 54.135 54.840 0.030 0.000 0.812 234 L CB 1.684 43.789 42.059 0.076 0.000 1.264 234 L HN 0.141 nan 8.230 nan 0.000 0.439 235 T N 1.674 116.295 114.554 0.112 0.000 3.009 235 T HA 0.253 4.602 4.350 -0.001 0.000 0.258 235 T C 0.034 174.841 174.700 0.178 0.000 1.063 235 T CA 0.535 62.714 62.100 0.131 0.000 1.139 235 T CB 0.168 69.117 68.868 0.135 0.000 0.890 235 T HN 0.508 nan 8.240 nan 0.000 0.471 236 L N -1.304 120.046 121.223 0.211 0.000 2.940 236 L HA 0.650 4.989 4.340 -0.001 0.000 0.270 236 L C -2.217 174.821 176.870 0.280 0.000 1.030 236 L CA -1.057 53.936 54.840 0.255 0.000 0.928 236 L CB 1.482 43.711 42.059 0.283 0.000 1.506 236 L HN -0.328 nan 8.230 nan 0.000 0.405 237 V N 2.053 122.130 119.914 0.272 0.000 2.334 237 V HA 0.478 4.597 4.120 -0.001 0.000 0.281 237 V C -0.093 176.074 176.094 0.122 0.000 1.016 237 V CA -0.189 62.255 62.300 0.240 0.000 0.832 237 V CB 1.367 33.344 31.823 0.256 0.000 0.999 237 V HN 0.679 nan 8.190 nan 0.000 0.439 238 S N 5.977 121.711 115.700 0.058 0.000 2.438 238 S HA 0.799 5.268 4.470 -0.001 0.000 0.316 238 S C -0.299 174.261 174.600 -0.066 0.000 1.084 238 S CA -0.739 57.452 58.200 -0.015 0.000 1.107 238 S CB 0.194 63.393 63.200 -0.002 0.000 0.981 238 S HN 0.884 nan 8.310 nan 0.000 0.466 239 R N 2.765 123.219 120.500 -0.077 0.000 2.817 239 R HA 0.945 5.285 4.340 -0.001 0.000 0.268 239 R C -0.224 176.017 176.300 -0.098 0.000 1.027 239 R CA -0.728 55.315 56.100 -0.096 0.000 0.928 239 R CB 0.499 30.750 30.300 -0.083 0.000 1.228 239 R HN 0.456 nan 8.270 nan 0.000 0.469 240 A N -0.483 122.262 122.820 -0.125 0.000 3.251 240 A HA 0.517 4.837 4.320 -0.001 0.000 0.194 240 A C 0.377 177.883 177.584 -0.130 0.000 1.365 240 A CA 0.816 52.794 52.037 -0.099 0.000 1.543 240 A CB -0.789 18.153 19.000 -0.097 0.000 1.626 240 A HN 1.087 nan 8.150 nan 0.000 0.563 241 H N -1.430 117.370 119.070 -0.450 0.000 5.017 241 H HA -0.191 4.364 4.556 -0.001 0.000 0.071 241 H C 0.218 175.505 175.328 -0.069 0.000 0.562 241 H CA 2.291 58.047 56.048 -0.486 0.000 1.051 241 H CB -1.074 28.260 29.762 -0.713 0.000 0.480 241 H HN 0.578 nan 8.280 nan 0.000 0.749 242 Q N 1.144 120.862 119.800 -0.136 0.000 2.314 242 Q HA 0.398 4.737 4.340 -0.001 0.000 0.259 242 Q C -0.164 175.507 176.000 -0.548 0.000 0.951 242 Q CA -0.224 55.392 55.803 -0.311 0.000 0.909 242 Q CB 2.131 30.726 28.738 -0.239 0.000 1.236 242 Q HN 0.448 nan 8.270 nan 0.000 0.444 243 L N 3.647 124.255 121.223 -1.025 0.000 2.485 243 L HA 0.221 4.561 4.340 -0.001 0.000 0.275 243 L C -0.683 175.765 176.870 -0.705 0.000 1.207 243 L CA -0.412 53.502 54.840 -1.543 0.000 0.855 243 L CB 0.537 41.798 42.059 -1.329 0.000 1.114 243 L HN 0.446 nan 8.230 nan 0.000 0.485 244 V N 3.054 122.639 119.914 -0.548 0.000 2.531 244 V HA 0.294 4.413 4.120 -0.001 0.000 0.301 244 V C 0.675 176.596 176.094 -0.288 0.000 1.034 244 V CA -0.853 61.240 62.300 -0.344 0.000 0.865 244 V CB 1.539 33.182 31.823 -0.300 0.000 0.995 244 V HN 0.987 nan 8.190 nan 0.000 0.424 245 M N 2.112 121.570 119.600 -0.237 0.000 2.530 245 M HA -0.016 4.463 4.480 -0.001 0.000 0.261 245 M C 1.538 177.735 176.300 -0.172 0.000 1.067 245 M CA 1.491 56.683 55.300 -0.181 0.000 1.071 245 M CB -0.547 31.967 32.600 -0.144 0.000 1.405 245 M HN 0.849 nan 8.290 nan 0.000 0.478 246 E N -1.844 118.222 120.200 -0.223 0.000 2.307 246 E HA 0.239 4.588 4.350 -0.001 0.000 0.195 246 E C 1.727 178.215 176.600 -0.187 0.000 0.975 246 E CA 0.987 57.246 56.400 -0.235 0.000 0.878 246 E CB 0.276 29.742 29.700 -0.391 0.000 0.845 246 E HN 0.492 nan 8.360 nan 0.000 0.488 247 G N 0.518 109.206 108.800 -0.186 0.000 2.491 247 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.203 247 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.203 247 G C -0.129 174.732 174.900 -0.064 0.000 1.052 247 G CA 0.011 45.044 45.100 -0.112 0.000 0.675 247 G HN 0.220 nan 8.290 nan 0.000 0.504 248 Y N 0.512 120.612 120.300 -0.332 0.000 2.562 248 Y HA 0.835 5.384 4.550 -0.001 0.000 0.345 248 Y C -1.067 174.540 175.900 -0.489 0.000 1.045 248 Y CA -1.909 55.898 58.100 -0.487 0.000 1.028 248 Y CB 1.324 39.286 38.460 -0.830 0.000 1.297 248 Y HN 0.333 nan 8.280 nan 0.000 0.463 249 N N 1.834 120.166 118.700 -0.615 0.000 2.503 249 N HA 0.311 5.050 4.740 -0.001 0.000 0.287 249 N C -2.285 173.012 175.510 -0.354 0.000 1.096 249 N CA -0.469 52.254 53.050 -0.545 0.000 0.936 249 N CB 1.296 39.563 38.487 -0.366 0.000 1.570 249 N HN 0.782 nan 8.380 nan 0.000 0.504 250 W N 3.596 124.749 121.300 -0.244 0.000 2.261 250 W HA 0.481 5.140 4.660 -0.001 0.000 0.323 250 W C 0.740 177.186 176.519 -0.121 0.000 1.243 250 W CA -0.470 56.798 57.345 -0.128 0.000 1.210 250 W CB 0.710 30.134 29.460 -0.061 0.000 1.149 250 W HN 0.627 nan 8.180 nan 0.000 0.562 251 C N -0.579 118.848 119.300 0.211 0.000 3.340 251 C HA 0.489 4.949 4.460 -0.001 0.000 0.333 251 C C 0.107 175.196 174.990 0.164 0.000 1.464 251 C CA -0.878 58.182 59.018 0.070 0.000 1.337 251 C CB 1.147 28.801 27.740 -0.143 0.000 1.740 251 C HN 0.967 nan 8.230 nan 0.000 0.450 252 H N 0.688 119.791 119.070 0.057 0.000 2.557 252 H HA -0.181 4.374 4.556 -0.001 0.000 0.319 252 H C 0.352 175.714 175.328 0.056 0.000 1.102 252 H CA 1.228 57.311 56.048 0.058 0.000 1.126 252 H CB -1.043 28.777 29.762 0.096 0.000 1.498 252 H HN 1.181 nan 8.280 nan 0.000 0.411 253 D N 0.266 120.746 120.400 0.134 0.000 2.723 253 D HA -0.263 4.376 4.640 -0.001 0.000 0.236 253 D C 0.137 176.441 176.300 0.006 0.000 1.138 253 D CA 1.504 55.530 54.000 0.043 0.000 0.676 253 D CB -0.635 40.184 40.800 0.032 0.000 1.069 253 D HN 0.754 nan 8.370 nan 0.000 0.430 254 R N -1.790 118.720 120.500 0.018 0.000 3.651 254 R HA -0.248 4.091 4.340 -0.001 0.000 0.292 254 R C 0.146 176.525 176.300 0.131 0.000 1.161 254 R CA 1.032 57.080 56.100 -0.087 0.000 0.787 254 R CB -2.267 27.646 30.300 -0.645 0.000 1.249 254 R HN 0.394 nan 8.270 nan 0.000 0.476 255 N N -0.280 118.562 118.700 0.237 0.000 2.356 255 N HA 0.124 4.863 4.740 -0.001 0.000 0.178 255 N C -0.098 175.601 175.510 0.315 0.000 1.075 255 N CA 0.539 53.745 53.050 0.261 0.000 0.889 255 N CB 0.907 39.546 38.487 0.254 0.000 0.999 255 N HN 0.005 nan 8.380 nan 0.000 0.464 256 V N 0.162 120.267 119.914 0.318 0.000 2.841 256 V HA 0.492 4.612 4.120 -0.001 0.000 0.310 256 V C -1.081 175.129 176.094 0.193 0.000 1.090 256 V CA -0.963 61.469 62.300 0.221 0.000 0.930 256 V CB 2.718 34.600 31.823 0.099 0.000 1.014 256 V HN -0.261 nan 8.190 nan 0.000 0.425 257 V N 3.533 123.455 119.914 0.013 0.000 2.709 257 V HA 0.733 4.852 4.120 -0.001 0.000 0.308 257 V C -0.313 175.650 176.094 -0.220 0.000 1.062 257 V CA 0.102 62.243 62.300 -0.265 0.000 0.901 257 V CB 2.663 34.064 31.823 -0.702 0.000 1.003 257 V HN 0.989 nan 8.190 nan 0.000 0.425 258 T N 7.719 122.118 114.554 -0.259 0.000 2.823 258 T HA 0.694 5.043 4.350 -0.001 0.000 0.279 258 T C -0.589 173.996 174.700 -0.191 0.000 0.998 258 T CA -0.135 61.851 62.100 -0.189 0.000 0.994 258 T CB 1.126 69.885 68.868 -0.181 0.000 0.960 258 T HN 0.541 nan 8.240 nan 0.000 0.448 259 I N 2.919 123.423 120.570 -0.110 0.000 2.512 259 I HA 0.436 4.606 4.170 -0.001 0.000 0.287 259 I C -1.322 174.792 176.117 -0.006 0.000 1.069 259 I CA -0.702 60.555 61.300 -0.071 0.000 1.056 259 I CB 1.643 39.600 38.000 -0.072 0.000 1.229 259 I HN 0.507 nan 8.210 nan 0.000 0.429 260 F N 4.285 124.119 119.950 -0.193 0.000 2.482 260 F HA 0.396 4.922 4.527 -0.001 0.000 0.331 260 F C 0.785 176.465 175.800 -0.201 0.000 1.115 260 F CA -0.029 57.847 58.000 -0.207 0.000 0.955 260 F CB 2.085 40.932 39.000 -0.254 0.000 1.136 260 F HN 0.319 nan 8.300 nan 0.000 0.452 261 S N 3.406 118.883 115.700 -0.372 0.000 2.602 261 S HA 0.392 4.861 4.470 -0.001 0.000 0.240 261 S C 0.100 174.621 174.600 -0.132 0.000 0.992 261 S CA -0.051 58.027 58.200 -0.203 0.000 0.971 261 S CB 0.268 63.405 63.200 -0.105 0.000 0.855 261 S HN 0.607 nan 8.310 nan 0.000 0.481 262 A N 3.865 126.568 122.820 -0.194 0.000 2.394 262 A HA 0.562 4.881 4.320 -0.001 0.000 0.333 262 A C -2.806 174.847 177.584 0.115 0.000 1.397 262 A CA -1.900 50.132 52.037 -0.008 0.000 0.884 262 A CB 0.319 19.305 19.000 -0.023 0.000 1.147 262 A HN 0.083 nan 8.150 nan 0.000 0.505 263 P HA 0.027 nan 4.420 nan 0.000 0.271 263 P C -0.133 177.192 177.300 0.042 0.000 1.220 263 P CA 0.227 63.349 63.100 0.035 0.000 0.768 263 P CB 0.429 32.176 31.700 0.078 0.000 0.848 264 N N 2.357 121.083 118.700 0.043 0.000 2.573 264 N HA -0.262 4.477 4.740 -0.001 0.000 0.280 264 N C -1.084 174.456 175.510 0.052 0.000 1.187 264 N CA 0.333 53.404 53.050 0.036 0.000 0.717 264 N CB -1.834 36.663 38.487 0.016 0.000 0.899 264 N HN 0.362 nan 8.380 nan 0.000 0.546 265 Y N 3.381 123.659 120.300 -0.035 0.000 2.745 265 Y HA 0.112 4.661 4.550 -0.001 0.000 0.335 265 Y C 1.355 177.236 175.900 -0.031 0.000 1.212 265 Y CA 0.373 58.467 58.100 -0.009 0.000 1.535 265 Y CB -0.450 38.033 38.460 0.037 0.000 1.220 265 Y HN 0.605 nan 8.280 nan 0.000 0.531 266 C N 5.321 124.513 119.300 -0.180 0.000 4.507 266 C HA -0.274 4.185 4.460 -0.001 0.000 0.285 266 C C 0.192 175.332 174.990 0.250 0.000 1.335 266 C CA 0.333 59.305 59.018 -0.076 0.000 1.953 266 C CB -3.421 24.137 27.740 -0.302 0.000 1.262 266 C HN 1.047 nan 8.230 nan 0.000 0.776 267 Y N -2.319 118.014 120.300 0.055 0.000 3.825 267 Y HA -0.313 4.236 4.550 -0.001 0.000 0.221 267 Y C 1.279 177.194 175.900 0.026 0.000 1.195 267 Y CA 1.419 59.555 58.100 0.060 0.000 1.699 267 Y CB -1.643 36.856 38.460 0.064 0.000 1.531 267 Y HN 0.669 nan 8.280 nan 0.000 0.640 268 R N -2.591 117.965 120.500 0.093 0.000 3.718 268 R HA 0.230 4.569 4.340 -0.001 0.000 0.136 268 R C 1.739 178.055 176.300 0.027 0.000 0.698 268 R CA 0.718 56.850 56.100 0.053 0.000 1.110 268 R CB -0.782 29.531 30.300 0.021 0.000 1.594 268 R HN 0.331 nan 8.270 nan 0.000 0.490 269 C N 1.787 121.099 119.300 0.020 0.000 2.401 269 C HA 0.049 4.508 4.460 -0.001 0.000 0.286 269 C C 1.277 176.275 174.990 0.013 0.000 1.332 269 C CA 0.896 59.928 59.018 0.024 0.000 1.795 269 C CB -1.423 26.364 27.740 0.078 0.000 1.922 269 C HN 0.809 nan 8.230 nan 0.000 0.520 270 G N 3.081 111.896 108.800 0.024 0.000 2.331 270 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.254 270 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.254 270 G C -0.366 174.527 174.900 -0.012 0.000 0.879 270 G CA 0.552 45.659 45.100 0.011 0.000 1.287 270 G HN 0.832 nan 8.290 nan 0.000 0.383 271 N N 0.205 118.896 118.700 -0.015 0.000 2.525 271 N HA 0.439 5.178 4.740 -0.001 0.000 0.270 271 N C -0.447 175.031 175.510 -0.054 0.000 1.321 271 N CA -0.969 52.049 53.050 -0.053 0.000 0.797 271 N CB 1.152 39.583 38.487 -0.092 0.000 1.529 271 N HN 0.415 nan 8.380 nan 0.000 0.491 272 Q N -0.225 119.523 119.800 -0.087 0.000 2.318 272 Q HA 0.661 5.001 4.340 -0.001 0.000 0.222 272 Q C -0.507 175.377 176.000 -0.193 0.000 1.003 272 Q CA -0.716 55.015 55.803 -0.120 0.000 0.936 272 Q CB 1.300 29.977 28.738 -0.103 0.000 1.204 272 Q HN 0.760 nan 8.270 nan 0.000 0.524 273 A N 0.076 122.653 122.820 -0.405 0.000 2.386 273 A HA 0.930 5.249 4.320 -0.001 0.000 0.308 273 A C -1.456 175.668 177.584 -0.768 0.000 1.128 273 A CA -0.157 51.513 52.037 -0.612 0.000 0.789 273 A CB 1.768 20.202 19.000 -0.942 0.000 1.325 273 A HN 0.700 nan 8.150 nan 0.000 0.437 274 A N -0.066 122.435 122.820 -0.531 0.000 2.612 274 A HA 0.736 5.055 4.320 -0.001 0.000 0.293 274 A C -0.937 176.603 177.584 -0.073 0.000 1.075 274 A CA -0.193 51.689 52.037 -0.258 0.000 0.680 274 A CB 0.712 19.690 19.000 -0.036 0.000 1.279 274 A HN 1.737 nan 8.150 nan 0.000 0.411 275 I N -1.556 119.047 120.570 0.055 0.000 2.934 275 I HA 0.778 4.947 4.170 -0.001 0.000 0.306 275 I C -0.568 175.589 176.117 0.066 0.000 1.110 275 I CA -1.017 60.318 61.300 0.058 0.000 1.019 275 I CB 2.336 40.395 38.000 0.098 0.000 1.227 275 I HN 0.774 nan 8.210 nan 0.000 0.434 276 M N 3.316 122.930 119.600 0.023 0.000 2.181 276 M HA 0.456 4.935 4.480 -0.001 0.000 0.323 276 M C -1.238 174.975 176.300 -0.145 0.000 1.004 276 M CA -0.218 55.039 55.300 -0.072 0.000 0.941 276 M CB 1.651 34.254 32.600 0.004 0.000 1.579 276 M HN 0.673 nan 8.290 nan 0.000 0.427 277 E N 5.491 125.573 120.200 -0.196 0.000 2.200 277 E HA 0.351 4.700 4.350 -0.001 0.000 0.283 277 E C -1.216 175.304 176.600 -0.134 0.000 1.015 277 E CA -0.304 56.004 56.400 -0.154 0.000 0.819 277 E CB 1.447 31.065 29.700 -0.136 0.000 1.081 277 E HN 0.689 nan 8.360 nan 0.000 0.397 278 L N 4.630 125.795 121.223 -0.095 0.000 2.313 278 L HA 0.186 4.525 4.340 -0.001 0.000 0.273 278 L C 0.105 176.940 176.870 -0.060 0.000 1.028 278 L CA -0.881 53.928 54.840 -0.051 0.000 0.871 278 L CB 0.394 42.442 42.059 -0.019 0.000 1.242 278 L HN 0.580 nan 8.230 nan 0.000 0.434 279 D N 0.040 120.401 120.400 -0.065 0.000 2.414 279 D HA -0.002 4.637 4.640 -0.001 0.000 0.259 279 D C 0.719 176.991 176.300 -0.045 0.000 1.269 279 D CA -0.341 53.621 54.000 -0.063 0.000 1.028 279 D CB 0.741 41.499 40.800 -0.070 0.000 1.093 279 D HN 0.377 nan 8.370 nan 0.000 0.545 280 D N -1.464 118.910 120.400 -0.044 0.000 2.200 280 D HA -0.223 4.416 4.640 -0.001 0.000 0.192 280 D C 1.576 177.861 176.300 -0.025 0.000 1.008 280 D CA 2.872 56.852 54.000 -0.032 0.000 0.872 280 D CB -0.513 40.267 40.800 -0.032 0.000 0.923 280 D HN 0.673 nan 8.370 nan 0.000 0.447 281 T N -2.364 112.172 114.554 -0.029 0.000 3.086 281 T HA 0.237 4.586 4.350 -0.001 0.000 0.250 281 T C 1.228 175.918 174.700 -0.016 0.000 1.074 281 T CA -0.352 61.734 62.100 -0.023 0.000 0.988 281 T CB 0.100 68.950 68.868 -0.030 0.000 0.988 281 T HN 0.269 nan 8.240 nan 0.000 0.530 282 L N -0.641 120.573 121.223 -0.015 0.000 4.447 282 L HA -0.136 4.204 4.340 -0.001 0.000 0.400 282 L C -0.731 176.139 176.870 0.002 0.000 1.110 282 L CA 0.204 55.048 54.840 0.007 0.000 1.010 282 L CB -0.896 41.182 42.059 0.032 0.000 2.154 282 L HN 0.345 nan 8.230 nan 0.000 0.685 283 K N 1.652 122.019 120.400 -0.055 0.000 2.349 283 K HA 0.258 4.577 4.320 -0.001 0.000 0.288 283 K C -0.109 176.404 176.600 -0.144 0.000 1.058 283 K CA -0.068 56.135 56.287 -0.139 0.000 0.953 283 K CB 0.389 32.795 32.500 -0.157 0.000 0.997 283 K HN 0.223 nan 8.250 nan 0.000 0.477 284 Y N -0.335 119.904 120.300 -0.101 0.000 2.301 284 Y HA 0.507 5.056 4.550 -0.001 0.000 0.325 284 Y C 0.028 175.719 175.900 -0.348 0.000 1.203 284 Y CA -1.156 56.806 58.100 -0.230 0.000 1.255 284 Y CB 1.009 39.348 38.460 -0.201 0.000 1.232 284 Y HN 0.508 nan 8.280 nan 0.000 0.501 285 S N 2.135 117.641 115.700 -0.323 0.000 2.550 285 S HA 0.755 5.224 4.470 -0.001 0.000 0.270 285 S C -1.599 172.598 174.600 -0.672 0.000 1.145 285 S CA -0.931 57.034 58.200 -0.393 0.000 0.852 285 S CB 1.130 64.211 63.200 -0.198 0.000 1.119 285 S HN 0.513 nan 8.310 nan 0.000 0.465 286 F N 0.516 120.375 119.950 -0.153 0.000 2.538 286 F HA 0.704 5.230 4.527 -0.001 0.000 0.325 286 F C -0.301 175.379 175.800 -0.201 0.000 1.066 286 F CA -1.151 56.640 58.000 -0.349 0.000 0.946 286 F CB 1.620 40.036 39.000 -0.972 0.000 1.199 286 F HN 0.454 nan 8.300 nan 0.000 0.473 287 L N 2.657 123.914 121.223 0.057 0.000 2.406 287 L HA 0.420 4.759 4.340 -0.001 0.000 0.270 287 L C -0.996 175.944 176.870 0.115 0.000 0.982 287 L CA -0.586 54.313 54.840 0.097 0.000 0.843 287 L CB 1.742 43.873 42.059 0.121 0.000 1.225 287 L HN 0.572 nan 8.230 nan 0.000 0.412 288 Q N 4.278 124.140 119.800 0.104 0.000 2.331 288 Q HA 0.500 4.840 4.340 -0.001 0.000 0.257 288 Q C -1.033 175.021 176.000 0.090 0.000 0.957 288 Q CA -0.426 55.399 55.803 0.037 0.000 0.923 288 Q CB 1.451 30.238 28.738 0.083 0.000 1.212 288 Q HN 0.449 nan 8.270 nan 0.000 0.443 289 F N -1.025 118.946 119.950 0.035 0.000 2.579 289 F HA 0.630 5.156 4.527 -0.001 0.000 0.324 289 F C -0.357 175.454 175.800 0.019 0.000 1.058 289 F CA -1.283 56.730 58.000 0.021 0.000 0.944 289 F CB 1.252 40.255 39.000 0.005 0.000 1.245 289 F HN 0.201 nan 8.300 nan 0.000 0.477 290 D N 1.265 121.834 120.400 0.281 0.000 2.440 290 D HA 0.344 4.983 4.640 -0.001 0.000 0.258 290 D C -2.570 173.885 176.300 0.258 0.000 1.092 290 D CA -1.215 52.891 54.000 0.177 0.000 1.016 290 D CB 1.628 42.494 40.800 0.110 0.000 1.141 290 D HN 0.336 nan 8.370 nan 0.000 0.552 291 P HA 0.128 nan 4.420 nan 0.000 0.271 291 P C -0.795 176.573 177.300 0.114 0.000 1.216 291 P CA -0.264 62.925 63.100 0.148 0.000 0.771 291 P CB 0.516 32.274 31.700 0.096 0.000 0.864 292 A N 6.305 129.178 122.820 0.088 0.000 2.520 292 A HA 0.293 4.612 4.320 -0.001 0.000 0.235 292 A C -1.228 176.385 177.584 0.049 0.000 1.065 292 A CA -0.592 51.471 52.037 0.044 0.000 0.764 292 A CB -1.335 17.671 19.000 0.010 0.000 1.002 292 A HN 0.516 nan 8.150 nan 0.000 0.502 293 P HA 0.000 nan 4.420 nan 0.000 0.216 293 P CA 0.000 63.120 63.100 0.033 0.000 0.800 293 P CB 0.000 31.716 31.700 0.027 0.000 0.726