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 1wp9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVLRRDLIQP RIYQEVIYAK CKETNCLIVL PTGLGKTLIA MMIAEYRLTK DATA SEQUENCE YGGKVLMLAP TKPLVLQHAE SFRRLFNLPP EKIVALTGEK SPEERSKAWA DATA SEQUENCE RAKVIVATPQ TIENDLLAGR ISLEDVSLIV FDEAHRAVGN YAYVFIAREY DATA SEQUENCE KRQAKNPLVI GLTASPGSTP EKIMEVINNL GIEHIEYRSE NSPDVRPYVK DATA SEQUENCE GIRFEWVRVD LPEIYKEVRK LLREMLRDAL KPLAETGLLE SSSPDIPKKE DATA SEQUENCE VLRAGQIINE EMAKGNHDLR GLLLYHAMAL KLHHAIELLE TQGLSALRAY DATA SEQUENCE IKKLYEEAKA GSTKASKEIF SDKRMKKAIS LLVQAKEIGL DHPKMDKLKE DATA SEQUENCE IIREQLQRKQ NSKIIVFTNY RETAKKIVNE LVKDGIKAKR FVGQASKXXX DATA SEQUENCE XXXXQREQKL ILDEFARGEF NVLVATSVGE EGLDVPEVDL VVFYEPVPSA DATA SEQUENCE IRSIQRRGRT GRHMPGRVII LMAKGTRDEA YYWSSR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.284 176.300 -0.027 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.029 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.048 0.000 1.302 2 V N 2.725 122.636 119.914 -0.006 0.000 2.237 2 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 2 V C 0.844 176.901 176.094 -0.062 0.000 1.046 2 V CA 1.304 63.628 62.300 0.040 0.000 1.007 2 V CB -0.410 31.486 31.823 0.122 0.000 0.638 2 V HN 0.719 nan 8.190 nan 0.000 0.445 3 L N 0.988 122.086 121.223 -0.208 0.000 2.292 3 L HA 0.403 4.743 4.340 -0.000 0.000 0.284 3 L C 0.525 177.195 176.870 -0.334 0.000 1.065 3 L CA -0.196 54.331 54.840 -0.523 0.000 0.806 3 L CB 0.817 42.544 42.059 -0.554 0.000 1.175 3 L HN 0.049 nan 8.230 nan 0.000 0.431 4 R N 4.853 125.150 120.500 -0.338 0.000 4.576 4 R HA 0.113 4.453 4.340 -0.000 0.000 0.185 4 R C 1.201 177.374 176.300 -0.211 0.000 1.837 4 R CA 0.187 56.158 56.100 -0.214 0.000 1.520 4 R CB -0.769 29.431 30.300 -0.166 0.000 1.403 4 R HN 0.680 nan 8.270 nan 0.000 0.831 5 R N 0.728 121.101 120.500 -0.212 0.000 2.139 5 R HA -0.170 4.170 4.340 -0.000 0.000 0.243 5 R C 1.332 177.541 176.300 -0.153 0.000 1.145 5 R CA 1.877 57.858 56.100 -0.198 0.000 0.976 5 R CB 0.028 30.215 30.300 -0.188 0.000 0.866 5 R HN 0.500 nan 8.270 nan 0.000 0.449 6 D N 0.597 120.922 120.400 -0.125 0.000 2.218 6 D HA -0.188 4.452 4.640 -0.000 0.000 0.204 6 D C 1.630 177.873 176.300 -0.094 0.000 0.976 6 D CA 1.121 55.063 54.000 -0.096 0.000 0.853 6 D CB -0.242 40.512 40.800 -0.077 0.000 0.939 6 D HN 0.303 nan 8.370 nan 0.000 0.481 7 L N 0.313 121.471 121.223 -0.108 0.000 2.477 7 L HA 0.206 4.546 4.340 -0.000 0.000 0.220 7 L C 2.346 179.151 176.870 -0.109 0.000 1.106 7 L CA 0.254 55.036 54.840 -0.098 0.000 0.851 7 L CB -0.154 41.848 42.059 -0.094 0.000 0.994 7 L HN 0.097 nan 8.230 nan 0.000 0.462 8 I N -3.290 117.199 120.570 -0.135 0.000 4.057 8 I HA 0.089 4.258 4.170 -0.000 0.000 0.334 8 I C 0.093 176.123 176.117 -0.145 0.000 1.308 8 I CA -0.185 61.029 61.300 -0.143 0.000 1.125 8 I CB 0.010 37.906 38.000 -0.175 0.000 1.034 8 I HN 0.189 nan 8.210 nan 0.000 0.401 9 Q N 2.372 122.091 119.800 -0.134 0.000 2.437 9 Q HA -0.123 4.217 4.340 -0.000 0.000 0.354 9 Q C -1.910 173.984 176.000 -0.176 0.000 1.402 9 Q CA -0.145 55.582 55.803 -0.127 0.000 1.020 9 Q CB -1.711 26.972 28.738 -0.091 0.000 1.220 9 Q HN 0.477 nan 8.270 nan 0.000 0.368 10 P HA -0.029 nan 4.420 nan 0.000 0.262 10 P C -0.038 177.071 177.300 -0.318 0.000 1.182 10 P CA 0.629 63.562 63.100 -0.279 0.000 0.761 10 P CB 0.567 32.109 31.700 -0.264 0.000 0.795 11 R N 2.059 122.241 120.500 -0.530 0.000 2.583 11 R HA 0.311 4.651 4.340 -0.000 0.000 0.268 11 R C 2.022 178.022 176.300 -0.500 0.000 1.101 11 R CA -0.578 55.098 56.100 -0.705 0.000 1.180 11 R CB 0.040 29.416 30.300 -1.539 0.000 1.128 11 R HN 0.377 nan 8.270 nan 0.000 0.568 12 I N 0.682 121.140 120.570 -0.187 0.000 2.118 12 I HA -0.386 3.784 4.170 -0.000 0.000 0.241 12 I C 2.069 178.168 176.117 -0.030 0.000 1.070 12 I CA 1.800 63.098 61.300 -0.004 0.000 1.327 12 I CB -0.423 37.693 38.000 0.193 0.000 1.034 12 I HN 0.730 nan 8.210 nan 0.000 0.405 13 Y N 1.007 121.320 120.300 0.023 0.000 2.274 13 Y HA -0.197 4.353 4.550 -0.000 0.000 0.290 13 Y C 2.389 178.279 175.900 -0.015 0.000 1.145 13 Y CA 0.943 59.051 58.100 0.013 0.000 1.203 13 Y CB -1.247 37.222 38.460 0.015 0.000 0.984 13 Y HN 0.156 nan 8.280 nan 0.000 0.533 14 Q N 0.270 119.688 119.800 -0.638 0.000 2.124 14 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 14 Q C 2.180 178.115 176.000 -0.110 0.000 0.977 14 Q CA 1.800 57.388 55.803 -0.359 0.000 0.850 14 Q CB -0.105 28.301 28.738 -0.554 0.000 0.901 14 Q HN 0.611 nan 8.270 nan 0.000 0.429 15 E N -0.108 120.017 120.200 -0.125 0.000 2.015 15 E HA -0.155 4.194 4.350 -0.000 0.000 0.191 15 E C 1.895 178.569 176.600 0.124 0.000 0.991 15 E CA 1.172 57.576 56.400 0.005 0.000 0.802 15 E CB -0.136 29.546 29.700 -0.030 0.000 0.759 15 E HN 0.075 nan 8.360 nan 0.000 0.447 16 V N 0.979 120.941 119.914 0.080 0.000 2.231 16 V HA -0.334 3.786 4.120 -0.000 0.000 0.250 16 V C 2.396 178.545 176.094 0.091 0.000 1.058 16 V CA 2.201 64.554 62.300 0.088 0.000 1.022 16 V CB -0.530 31.351 31.823 0.097 0.000 0.640 16 V HN 0.359 nan 8.190 nan 0.000 0.445 17 I N -0.878 119.761 120.570 0.116 0.000 2.127 17 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 17 I C 2.479 178.646 176.117 0.084 0.000 1.075 17 I CA 2.484 63.850 61.300 0.110 0.000 1.334 17 I CB -0.609 37.471 38.000 0.135 0.000 1.040 17 I HN 0.497 nan 8.210 nan 0.000 0.405 18 Y N 2.034 122.332 120.300 -0.004 0.000 2.139 18 Y HA -0.354 4.196 4.550 -0.000 0.000 0.282 18 Y C 2.411 178.275 175.900 -0.061 0.000 1.179 18 Y CA 1.556 59.639 58.100 -0.027 0.000 1.161 18 Y CB -0.539 37.893 38.460 -0.046 0.000 0.970 18 Y HN 0.125 nan 8.280 nan 0.000 0.511 19 A N 0.466 123.097 122.820 -0.315 0.000 1.930 19 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 19 A C 2.207 179.608 177.584 -0.305 0.000 1.175 19 A CA 1.869 53.646 52.037 -0.433 0.000 0.627 19 A CB -0.475 18.448 19.000 -0.127 0.000 0.815 19 A HN 0.582 nan 8.150 nan 0.000 0.443 20 K N -0.878 119.438 120.400 -0.140 0.000 2.076 20 K HA -0.034 4.285 4.320 -0.000 0.000 0.204 20 K C 1.568 178.138 176.600 -0.049 0.000 1.051 20 K CA 1.309 57.555 56.287 -0.068 0.000 0.949 20 K CB -0.243 32.279 32.500 0.038 0.000 0.726 20 K HN 0.524 nan 8.250 nan 0.000 0.443 21 C N 1.596 120.877 119.300 -0.030 0.000 2.576 21 C HA 0.122 4.582 4.460 -0.000 0.000 0.267 21 C C 2.122 177.079 174.990 -0.054 0.000 1.364 21 C CA -0.352 58.673 59.018 0.012 0.000 1.723 21 C CB -0.983 26.789 27.740 0.052 0.000 1.778 21 C HN 0.421 nan 8.230 nan 0.000 0.572 22 K N 1.713 121.986 120.400 -0.213 0.000 2.103 22 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 22 K C 1.318 177.878 176.600 -0.067 0.000 1.048 22 K CA 1.594 57.684 56.287 -0.328 0.000 0.930 22 K CB 0.069 32.099 32.500 -0.783 0.000 0.716 22 K HN 0.353 nan 8.250 nan 0.000 0.444 23 E N -0.074 120.110 120.200 -0.026 0.000 3.105 23 E HA 0.163 4.513 4.350 -0.000 0.000 0.198 23 E C -1.599 175.034 176.600 0.054 0.000 0.976 23 E CA -0.195 56.252 56.400 0.078 0.000 1.219 23 E CB 1.266 31.024 29.700 0.096 0.000 1.081 23 E HN 0.040 nan 8.360 nan 0.000 0.464 24 T N -0.499 114.086 114.554 0.052 0.000 2.956 24 T HA 0.334 4.684 4.350 -0.000 0.000 0.312 24 T C -0.599 174.151 174.700 0.084 0.000 1.151 24 T CA -0.847 61.290 62.100 0.062 0.000 1.024 24 T CB 1.281 70.185 68.868 0.060 0.000 1.140 24 T HN 0.038 nan 8.240 nan 0.000 0.473 25 N N 1.297 120.048 118.700 0.085 0.000 2.438 25 N HA 0.308 5.048 4.740 -0.000 0.000 0.267 25 N C -0.621 174.944 175.510 0.093 0.000 1.222 25 N CA 0.047 53.152 53.050 0.091 0.000 0.930 25 N CB 0.246 38.784 38.487 0.084 0.000 1.083 25 N HN 0.447 nan 8.380 nan 0.000 0.476 26 C N 2.214 121.565 119.300 0.085 0.000 3.044 26 C HA 0.556 5.016 4.460 -0.000 0.000 0.315 26 C C -0.498 174.518 174.990 0.042 0.000 1.320 26 C CA -0.755 58.302 59.018 0.065 0.000 1.582 26 C CB 1.413 29.198 27.740 0.076 0.000 2.039 26 C HN 0.538 nan 8.230 nan 0.000 0.466 27 L N 1.872 123.099 121.223 0.006 0.000 2.349 27 L HA 0.636 4.976 4.340 -0.000 0.000 0.278 27 L C -0.731 176.143 176.870 0.007 0.000 0.996 27 L CA -0.077 54.773 54.840 0.016 0.000 0.825 27 L CB 1.017 43.080 42.059 0.007 0.000 1.243 27 L HN 0.533 nan 8.230 nan 0.000 0.412 28 I N 5.223 125.815 120.570 0.035 0.000 2.330 28 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 28 I C -0.711 175.427 176.117 0.035 0.000 1.001 28 I CA -0.695 60.624 61.300 0.033 0.000 1.193 28 I CB 1.483 39.513 38.000 0.050 0.000 1.345 28 I HN 0.167 nan 8.210 nan 0.000 0.461 29 V N 8.197 128.125 119.914 0.024 0.000 2.313 29 V HA 0.497 4.617 4.120 -0.000 0.000 0.278 29 V C -0.084 175.936 176.094 -0.123 0.000 1.017 29 V CA -0.361 61.947 62.300 0.013 0.000 0.823 29 V CB 1.064 32.974 31.823 0.143 0.000 1.010 29 V HN 0.496 nan 8.190 nan 0.000 0.443 30 L N 5.942 127.102 121.223 -0.104 0.000 2.409 30 L HA 0.592 4.932 4.340 -0.000 0.000 0.262 30 L C -2.762 174.039 176.870 -0.114 0.000 0.992 30 L CA -2.060 52.679 54.840 -0.169 0.000 0.817 30 L CB 3.040 45.027 42.059 -0.120 0.000 1.350 30 L HN 0.337 nan 8.230 nan 0.000 0.411 31 P HA 0.077 nan 4.420 nan 0.000 0.268 31 P C -0.442 176.836 177.300 -0.036 0.000 1.205 31 P CA -0.124 62.931 63.100 -0.075 0.000 0.771 31 P CB 0.443 32.095 31.700 -0.081 0.000 0.858 32 T N 2.346 116.897 114.554 -0.005 0.000 2.923 32 T HA 0.258 4.608 4.350 -0.000 0.000 0.304 32 T C 1.442 176.157 174.700 0.024 0.000 1.044 32 T CA 1.687 63.800 62.100 0.022 0.000 1.141 32 T CB -0.418 68.471 68.868 0.034 0.000 1.023 32 T HN 0.843 nan 8.240 nan 0.000 0.533 33 G N 1.992 110.815 108.800 0.037 0.000 2.195 33 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.224 33 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.224 33 G C 0.647 175.575 174.900 0.048 0.000 0.990 33 G CA -0.020 45.104 45.100 0.040 0.000 0.639 33 G HN 0.664 nan 8.290 nan 0.000 0.514 34 L N 0.624 121.874 121.223 0.046 0.000 2.628 34 L HA 0.476 4.816 4.340 -0.000 0.000 0.229 34 L C 1.944 178.921 176.870 0.179 0.000 1.137 34 L CA 0.814 55.715 54.840 0.101 0.000 0.909 34 L CB 0.222 42.256 42.059 -0.042 0.000 1.137 34 L HN 1.006 nan 8.230 nan 0.000 0.470 35 G N 0.021 108.875 108.800 0.090 0.000 2.130 35 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 35 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 35 G C 0.896 175.826 174.900 0.051 0.000 0.999 35 G CA 0.353 45.484 45.100 0.053 0.000 0.686 35 G HN 0.295 nan 8.290 nan 0.000 0.515 36 K N -0.511 119.929 120.400 0.066 0.000 2.034 36 K HA -0.167 4.153 4.320 -0.000 0.000 0.214 36 K C 2.654 179.276 176.600 0.037 0.000 1.051 36 K CA 2.257 58.580 56.287 0.060 0.000 0.931 36 K CB -0.311 32.227 32.500 0.062 0.000 0.715 36 K HN 0.404 nan 8.250 nan 0.000 0.446 37 T N 1.697 116.265 114.554 0.023 0.000 2.788 37 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 37 T C 1.797 176.464 174.700 -0.056 0.000 1.044 37 T CA 1.056 63.144 62.100 -0.021 0.000 1.139 37 T CB -0.147 68.712 68.868 -0.014 0.000 0.867 37 T HN 0.124 nan 8.240 nan 0.000 0.454 38 L N 0.314 121.502 121.223 -0.059 0.000 2.017 38 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 38 L C 2.458 179.281 176.870 -0.078 0.000 1.073 38 L CA 1.306 56.081 54.840 -0.107 0.000 0.745 38 L CB -0.605 41.386 42.059 -0.115 0.000 0.894 38 L HN 0.281 nan 8.230 nan 0.000 0.432 39 I N -0.161 120.394 120.570 -0.025 0.000 2.286 39 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 39 I C 2.833 178.999 176.117 0.083 0.000 1.115 39 I CA 1.071 62.388 61.300 0.028 0.000 1.392 39 I CB -0.541 37.501 38.000 0.071 0.000 1.065 39 I HN 0.217 nan 8.210 nan 0.000 0.418 40 A N 1.145 124.006 122.820 0.069 0.000 1.865 40 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 40 A C 2.370 180.051 177.584 0.161 0.000 1.191 40 A CA 1.864 53.968 52.037 0.112 0.000 0.623 40 A CB -0.676 18.378 19.000 0.090 0.000 0.826 40 A HN 0.345 nan 8.150 nan 0.000 0.444 41 M N -1.361 118.291 119.600 0.087 0.000 2.149 41 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 41 M C 2.384 178.796 176.300 0.187 0.000 1.064 41 M CA 1.753 57.152 55.300 0.165 0.000 1.102 41 M CB -0.529 32.011 32.600 -0.099 0.000 1.369 41 M HN 0.430 nan 8.290 nan 0.000 0.408 42 M N 0.034 119.656 119.600 0.036 0.000 2.086 42 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 42 M C 2.116 178.555 176.300 0.230 0.000 1.067 42 M CA 1.666 56.920 55.300 -0.076 0.000 1.116 42 M CB -0.405 32.006 32.600 -0.315 0.000 1.348 42 M HN 0.226 nan 8.290 nan 0.000 0.407 43 I N -0.013 120.803 120.570 0.411 0.000 2.179 43 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 43 I C 2.710 179.075 176.117 0.413 0.000 1.088 43 I CA 1.171 62.757 61.300 0.477 0.000 1.357 43 I CB -0.621 37.556 38.000 0.295 0.000 1.051 43 I HN 0.267 nan 8.210 nan 0.000 0.409 44 A N 0.346 123.371 122.820 0.342 0.000 1.917 44 A HA -0.309 4.010 4.320 -0.000 0.000 0.219 44 A C 2.332 180.119 177.584 0.338 0.000 1.182 44 A CA 2.231 54.455 52.037 0.311 0.000 0.633 44 A CB -0.728 18.487 19.000 0.359 0.000 0.819 44 A HN 0.553 nan 8.150 nan 0.000 0.448 45 E N -1.681 118.774 120.200 0.425 0.000 2.072 45 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 45 E C 1.869 178.645 176.600 0.293 0.000 0.985 45 E CA 1.420 58.044 56.400 0.373 0.000 0.801 45 E CB -0.333 29.520 29.700 0.254 0.000 0.750 45 E HN 0.740 nan 8.360 nan 0.000 0.452 46 Y N 1.481 121.928 120.300 0.244 0.000 2.224 46 Y HA -0.190 4.360 4.550 -0.000 0.000 0.289 46 Y C 2.171 178.166 175.900 0.159 0.000 1.146 46 Y CA 1.695 59.925 58.100 0.218 0.000 1.182 46 Y CB 0.045 38.694 38.460 0.314 0.000 0.983 46 Y HN -0.037 nan 8.280 nan 0.000 0.524 47 R N 0.356 120.979 120.500 0.206 0.000 2.062 47 R HA -0.083 4.256 4.340 -0.000 0.000 0.229 47 R C 2.396 178.737 176.300 0.068 0.000 1.128 47 R CA 1.477 57.677 56.100 0.167 0.000 0.960 47 R CB -1.267 29.194 30.300 0.268 0.000 0.855 47 R HN 0.428 nan 8.270 nan 0.000 0.432 48 L N 1.168 122.436 121.223 0.074 0.000 2.127 48 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 48 L C 2.411 179.273 176.870 -0.013 0.000 1.089 48 L CA 1.868 56.727 54.840 0.031 0.000 0.757 48 L CB -0.705 41.378 42.059 0.040 0.000 0.899 48 L HN 0.376 nan 8.230 nan 0.000 0.434 49 T N -4.057 110.469 114.554 -0.048 0.000 3.051 49 T HA -0.091 4.259 4.350 -0.000 0.000 0.255 49 T C 1.783 176.365 174.700 -0.197 0.000 1.085 49 T CA 0.370 62.418 62.100 -0.087 0.000 1.109 49 T CB 0.215 69.053 68.868 -0.050 0.000 0.921 49 T HN 0.214 nan 8.240 nan 0.000 0.488 50 K N -0.754 119.425 120.400 -0.370 0.000 2.190 50 K HA 0.193 4.513 4.320 -0.000 0.000 0.202 50 K C 0.175 176.433 176.600 -0.569 0.000 1.045 50 K CA 0.125 56.057 56.287 -0.592 0.000 0.976 50 K CB 0.288 32.144 32.500 -1.073 0.000 0.849 50 K HN 0.424 nan 8.250 nan 0.000 0.468 51 Y N -0.056 120.160 120.300 -0.140 0.000 2.956 51 Y HA 0.336 4.886 4.550 -0.000 0.000 0.381 51 Y C 1.637 177.503 175.900 -0.056 0.000 1.244 51 Y CA -0.716 57.337 58.100 -0.077 0.000 1.291 51 Y CB -0.607 37.821 38.460 -0.053 0.000 1.454 51 Y HN 0.043 nan 8.280 nan 0.000 0.797 52 G N -0.517 108.397 108.800 0.190 0.000 2.224 52 G HA2 0.287 4.247 3.960 -0.000 0.000 0.357 52 G HA3 0.287 4.247 3.960 -0.000 0.000 0.357 52 G C 0.103 175.022 174.900 0.032 0.000 1.436 52 G CA 0.120 45.266 45.100 0.076 0.000 1.070 52 G HN 0.886 nan 8.290 nan 0.000 0.556 53 G N -1.089 107.709 108.800 -0.004 0.000 4.632 53 G HA2 0.479 4.439 3.960 -0.000 0.000 0.244 53 G HA3 0.479 4.439 3.960 -0.000 0.000 0.244 53 G C -0.588 174.250 174.900 -0.104 0.000 1.070 53 G CA -0.217 44.856 45.100 -0.046 0.000 0.791 53 G HN 0.537 nan 8.290 nan 0.000 0.544 54 K N 0.547 120.882 120.400 -0.108 0.000 2.616 54 K HA 0.540 4.860 4.320 -0.000 0.000 0.255 54 K C -1.284 175.207 176.600 -0.183 0.000 0.995 54 K CA -0.348 55.816 56.287 -0.205 0.000 0.860 54 K CB 2.085 34.451 32.500 -0.224 0.000 1.264 54 K HN 0.034 nan 8.250 nan 0.000 0.451 55 V N 4.775 124.534 119.914 -0.258 0.000 2.495 55 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 55 V C -1.074 174.820 176.094 -0.333 0.000 1.031 55 V CA -0.942 61.215 62.300 -0.239 0.000 0.871 55 V CB 1.468 33.159 31.823 -0.220 0.000 0.988 55 V HN 0.673 nan 8.190 nan 0.000 0.432 56 L N 5.604 126.651 121.223 -0.294 0.000 2.381 56 L HA 0.756 5.096 4.340 -0.000 0.000 0.274 56 L C -0.731 175.948 176.870 -0.318 0.000 0.988 56 L CA -0.346 54.315 54.840 -0.298 0.000 0.824 56 L CB 1.586 43.528 42.059 -0.195 0.000 1.263 56 L HN 0.802 nan 8.230 nan 0.000 0.410 57 M N 5.779 125.202 119.600 -0.294 0.000 2.243 57 M HA 0.575 5.055 4.480 -0.000 0.000 0.324 57 M C -1.793 174.412 176.300 -0.159 0.000 1.031 57 M CA -0.476 54.675 55.300 -0.247 0.000 0.949 57 M CB 1.253 33.734 32.600 -0.197 0.000 1.615 57 M HN 0.638 nan 8.290 nan 0.000 0.430 58 L N 4.101 125.219 121.223 -0.176 0.000 2.344 58 L HA 0.974 5.314 4.340 -0.000 0.000 0.272 58 L C -0.435 176.555 176.870 0.200 0.000 1.035 58 L CA -0.789 54.062 54.840 0.018 0.000 0.807 58 L CB 1.791 43.849 42.059 -0.001 0.000 1.237 58 L HN 0.834 nan 8.230 nan 0.000 0.442 59 A N 2.345 125.346 122.820 0.302 0.000 2.520 59 A HA 0.685 5.005 4.320 -0.000 0.000 0.298 59 A C -2.465 175.295 177.584 0.293 0.000 1.051 59 A CA -1.212 51.029 52.037 0.339 0.000 0.690 59 A CB 1.675 20.879 19.000 0.339 0.000 1.281 59 A HN 0.485 nan 8.150 nan 0.000 0.402 60 P HA -0.111 nan 4.420 nan 0.000 0.213 60 P C 0.998 178.381 177.300 0.139 0.000 1.170 60 P CA 2.367 65.578 63.100 0.184 0.000 0.902 60 P CB -0.056 31.716 31.700 0.120 0.000 0.789 61 T N -3.379 111.245 114.554 0.117 0.000 2.912 61 T HA 0.304 4.654 4.350 -0.000 0.000 0.280 61 T C 1.094 175.840 174.700 0.076 0.000 0.989 61 T CA -0.696 61.454 62.100 0.084 0.000 0.995 61 T CB 1.375 70.282 68.868 0.066 0.000 1.077 61 T HN 0.096 nan 8.240 nan 0.000 0.531 62 K N 0.006 120.440 120.400 0.057 0.000 2.076 62 K HA 0.109 4.429 4.320 -0.000 0.000 0.204 62 K C -0.877 175.746 176.600 0.038 0.000 1.051 62 K CA 0.427 56.743 56.287 0.049 0.000 0.949 62 K CB -1.505 31.019 32.500 0.040 0.000 0.726 62 K HN 0.388 nan 8.250 nan 0.000 0.443 63 P HA -0.169 nan 4.420 nan 0.000 0.216 63 P C 1.562 178.852 177.300 -0.017 0.000 1.150 63 P CA 1.241 64.350 63.100 0.014 0.000 0.837 63 P CB -0.016 31.695 31.700 0.018 0.000 0.786 64 L N -0.805 120.407 121.223 -0.019 0.000 2.083 64 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 64 L C 2.722 179.535 176.870 -0.096 0.000 1.083 64 L CA 1.207 55.982 54.840 -0.108 0.000 0.752 64 L CB -0.822 41.236 42.059 -0.002 0.000 0.899 64 L HN -0.152 nan 8.230 nan 0.000 0.433 65 V N 0.063 120.006 119.914 0.048 0.000 2.295 65 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 65 V C 2.378 178.520 176.094 0.079 0.000 1.049 65 V CA 1.620 63.985 62.300 0.108 0.000 1.024 65 V CB -0.404 31.477 31.823 0.096 0.000 0.648 65 V HN 0.336 nan 8.190 nan 0.000 0.447 66 L N -0.301 120.948 121.223 0.042 0.000 2.012 66 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 66 L C 2.690 179.587 176.870 0.045 0.000 1.073 66 L CA 2.154 57.020 54.840 0.044 0.000 0.748 66 L CB -0.740 41.338 42.059 0.031 0.000 0.891 66 L HN 0.421 nan 8.230 nan 0.000 0.431 67 Q N -0.473 119.319 119.800 -0.013 0.000 2.014 67 Q HA -0.266 4.074 4.340 -0.000 0.000 0.207 67 Q C 2.350 178.378 176.000 0.047 0.000 0.993 67 Q CA 1.928 57.710 55.803 -0.035 0.000 0.850 67 Q CB -0.082 28.564 28.738 -0.153 0.000 0.916 67 Q HN 0.531 nan 8.270 nan 0.000 0.417 68 H N -0.201 118.955 119.070 0.143 0.000 2.319 68 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 68 H C 2.054 177.570 175.328 0.314 0.000 1.092 68 H CA 1.458 57.644 56.048 0.229 0.000 1.302 68 H CB -0.662 29.246 29.762 0.243 0.000 1.373 68 H HN 0.488 nan 8.280 nan 0.000 0.497 69 A N 1.014 124.020 122.820 0.310 0.000 1.892 69 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 69 A C 2.414 180.134 177.584 0.225 0.000 1.188 69 A CA 2.099 54.261 52.037 0.208 0.000 0.631 69 A CB -0.596 18.463 19.000 0.099 0.000 0.822 69 A HN 0.570 nan 8.150 nan 0.000 0.447 70 E N -0.232 120.071 120.200 0.171 0.000 2.051 70 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 70 E C 2.171 178.867 176.600 0.160 0.000 0.991 70 E CA 1.346 57.829 56.400 0.137 0.000 0.799 70 E CB -0.106 29.648 29.700 0.091 0.000 0.748 70 E HN 0.578 nan 8.360 nan 0.000 0.449 71 S N 0.116 115.922 115.700 0.176 0.000 2.370 71 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 71 S C 1.583 176.259 174.600 0.126 0.000 1.033 71 S CA 1.215 59.484 58.200 0.115 0.000 1.011 71 S CB -0.444 62.812 63.200 0.094 0.000 0.852 71 S HN 0.280 nan 8.310 nan 0.000 0.457 72 F N 1.962 122.013 119.950 0.168 0.000 2.095 72 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 72 F C 2.588 178.536 175.800 0.247 0.000 1.104 72 F CA 1.231 59.387 58.000 0.259 0.000 1.232 72 F CB -0.274 38.783 39.000 0.096 0.000 0.987 72 F HN 0.054 nan 8.300 nan 0.000 0.475 73 R N -0.095 120.596 120.500 0.318 0.000 2.091 73 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 73 R C 2.249 178.642 176.300 0.156 0.000 1.136 73 R CA 1.469 57.691 56.100 0.204 0.000 0.959 73 R CB -0.501 29.880 30.300 0.133 0.000 0.856 73 R HN 0.316 nan 8.270 nan 0.000 0.437 74 R N 0.381 120.953 120.500 0.120 0.000 2.092 74 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 74 R C 2.135 178.447 176.300 0.019 0.000 1.119 74 R CA 1.022 57.156 56.100 0.057 0.000 0.970 74 R CB -0.086 30.234 30.300 0.033 0.000 0.864 74 R HN 0.202 nan 8.270 nan 0.000 0.440 75 L N -0.772 120.453 121.223 0.003 0.000 2.554 75 L HA 0.175 4.515 4.340 -0.000 0.000 0.225 75 L C 0.014 176.742 176.870 -0.237 0.000 1.104 75 L CA -0.155 54.600 54.840 -0.142 0.000 0.866 75 L CB 0.251 42.160 42.059 -0.249 0.000 1.047 75 L HN -0.027 nan 8.230 nan 0.000 0.468 76 F N 0.282 120.232 119.950 -0.001 0.000 2.408 76 F HA 0.196 4.723 4.527 -0.000 0.000 0.344 76 F C 0.848 176.662 175.800 0.022 0.000 1.112 76 F CA -0.685 57.331 58.000 0.027 0.000 1.096 76 F CB 0.789 39.848 39.000 0.100 0.000 1.129 76 F HN -0.161 nan 8.300 nan 0.000 0.486 77 N N 5.262 124.057 118.700 0.158 0.000 3.298 77 N HA 0.312 5.052 4.740 -0.000 0.000 0.292 77 N C -1.599 173.986 175.510 0.126 0.000 1.271 77 N CA 0.188 53.297 53.050 0.099 0.000 1.184 77 N CB -0.304 38.204 38.487 0.034 0.000 1.452 77 N HN 0.512 nan 8.380 nan 0.000 0.534 78 L N 0.732 122.040 121.223 0.142 0.000 2.393 78 L HA 0.590 4.930 4.340 -0.000 0.000 0.260 78 L C -2.142 174.764 176.870 0.059 0.000 1.002 78 L CA -2.427 52.468 54.840 0.093 0.000 0.818 78 L CB 2.051 44.162 42.059 0.088 0.000 1.369 78 L HN 0.124 nan 8.230 nan 0.000 0.412 79 P HA -0.030 nan 4.420 nan 0.000 0.260 79 P C -1.853 175.459 177.300 0.020 0.000 1.172 79 P CA -0.633 62.479 63.100 0.020 0.000 0.760 79 P CB 0.107 31.811 31.700 0.007 0.000 0.773 80 P HA -0.251 nan 4.420 nan 0.000 0.218 80 P C 1.005 178.312 177.300 0.012 0.000 1.146 80 P CA 1.575 64.692 63.100 0.028 0.000 0.820 80 P CB 0.080 31.798 31.700 0.029 0.000 0.778 81 E N 0.938 121.139 120.200 0.002 0.000 2.481 81 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 81 E C 1.308 177.891 176.600 -0.028 0.000 1.047 81 E CA 0.632 57.027 56.400 -0.008 0.000 0.867 81 E CB -0.433 29.265 29.700 -0.004 0.000 0.858 81 E HN 0.273 nan 8.360 nan 0.000 0.513 82 K N 0.580 120.958 120.400 -0.037 0.000 2.444 82 K HA 0.197 4.517 4.320 -0.000 0.000 0.193 82 K C 0.073 176.607 176.600 -0.111 0.000 1.024 82 K CA -0.022 56.221 56.287 -0.073 0.000 1.077 82 K CB 0.599 33.060 32.500 -0.065 0.000 0.833 82 K HN 0.098 nan 8.250 nan 0.000 0.517 83 I N 2.284 122.804 120.570 -0.083 0.000 2.405 83 I HA 0.192 4.362 4.170 -0.000 0.000 0.280 83 I C -0.323 175.743 176.117 -0.085 0.000 1.027 83 I CA -0.658 60.576 61.300 -0.110 0.000 1.161 83 I CB 1.101 39.081 38.000 -0.032 0.000 1.300 83 I HN -0.301 nan 8.210 nan 0.000 0.463 84 V N 4.753 124.595 119.914 -0.121 0.000 2.630 84 V HA 0.753 4.872 4.120 -0.000 0.000 0.305 84 V C 0.419 176.479 176.094 -0.058 0.000 1.046 84 V CA -0.767 61.491 62.300 -0.069 0.000 0.934 84 V CB 1.971 33.760 31.823 -0.058 0.000 1.003 84 V HN 0.785 nan 8.190 nan 0.000 0.451 85 A N 5.083 127.896 122.820 -0.011 0.000 2.285 85 A HA 0.772 5.092 4.320 -0.000 0.000 0.310 85 A C -0.678 176.925 177.584 0.031 0.000 1.266 85 A CA -0.433 51.610 52.037 0.010 0.000 0.832 85 A CB 0.333 19.348 19.000 0.026 0.000 1.163 85 A HN 0.813 nan 8.150 nan 0.000 0.499 86 L N 3.539 124.790 121.223 0.046 0.000 2.353 86 L HA 0.240 4.580 4.340 -0.000 0.000 0.269 86 L C 1.539 178.442 176.870 0.055 0.000 1.085 86 L CA -0.237 54.640 54.840 0.061 0.000 0.938 86 L CB 0.897 43.014 42.059 0.097 0.000 1.312 86 L HN 0.871 nan 8.230 nan 0.000 0.429 87 T N 0.214 114.795 114.554 0.045 0.000 3.088 87 T HA 0.050 4.400 4.350 -0.000 0.000 0.259 87 T C 1.335 176.055 174.700 0.034 0.000 1.122 87 T CA 0.898 63.023 62.100 0.042 0.000 1.095 87 T CB -0.028 68.862 68.868 0.037 0.000 0.930 87 T HN 0.881 nan 8.240 nan 0.000 0.508 88 G N 1.002 109.821 108.800 0.032 0.000 2.142 88 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.225 88 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.225 88 G C 0.263 175.174 174.900 0.018 0.000 1.015 88 G CA 0.329 45.443 45.100 0.023 0.000 0.716 88 G HN 0.597 nan 8.290 nan 0.000 0.508 89 E N -0.634 119.579 120.200 0.021 0.000 2.511 89 E HA 0.124 4.474 4.350 -0.000 0.000 0.209 89 E C 1.192 177.803 176.600 0.018 0.000 0.986 89 E CA -0.141 56.270 56.400 0.018 0.000 0.974 89 E CB 0.620 30.332 29.700 0.019 0.000 1.030 89 E HN 0.515 nan 8.360 nan 0.000 0.490 90 K N 1.528 121.941 120.400 0.021 0.000 2.102 90 K HA 0.209 4.529 4.320 -0.000 0.000 0.244 90 K C 0.294 176.905 176.600 0.017 0.000 1.021 90 K CA -0.296 56.003 56.287 0.021 0.000 0.913 90 K CB 0.924 33.440 32.500 0.027 0.000 1.062 90 K HN -0.046 nan 8.250 nan 0.000 0.485 91 S N 0.844 116.554 115.700 0.016 0.000 2.549 91 S HA 0.059 4.529 4.470 -0.000 0.000 0.286 91 S C -1.996 172.611 174.600 0.012 0.000 1.314 91 S CA -1.080 57.127 58.200 0.012 0.000 1.062 91 S CB 0.792 63.999 63.200 0.012 0.000 0.865 91 S HN 0.327 nan 8.310 nan 0.000 0.498 92 P HA -0.198 nan 4.420 nan 0.000 0.218 92 P C 1.261 178.563 177.300 0.003 0.000 1.147 92 P CA 1.526 64.626 63.100 0.000 0.000 0.827 92 P CB 0.132 31.828 31.700 -0.006 0.000 0.778 93 E N -0.217 119.989 120.200 0.009 0.000 2.042 93 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 93 E C 1.824 178.439 176.600 0.025 0.000 0.974 93 E CA 0.700 57.108 56.400 0.013 0.000 0.806 93 E CB -0.222 29.485 29.700 0.012 0.000 0.769 93 E HN 0.210 nan 8.360 nan 0.000 0.451 94 E N 0.500 120.715 120.200 0.026 0.000 2.097 94 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 94 E C 2.305 178.935 176.600 0.050 0.000 1.000 94 E CA 0.943 57.363 56.400 0.034 0.000 0.804 94 E CB -0.060 29.656 29.700 0.028 0.000 0.740 94 E HN 0.190 nan 8.360 nan 0.000 0.454 95 R N 0.303 120.832 120.500 0.048 0.000 2.096 95 R HA -0.121 4.219 4.340 -0.000 0.000 0.240 95 R C 2.520 178.886 176.300 0.110 0.000 1.139 95 R CA 1.532 57.675 56.100 0.072 0.000 0.952 95 R CB -0.300 30.027 30.300 0.046 0.000 0.854 95 R HN 0.049 nan 8.270 nan 0.000 0.436 96 S N 0.580 116.322 115.700 0.071 0.000 2.423 96 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 96 S C 1.742 176.419 174.600 0.130 0.000 1.014 96 S CA 1.021 59.272 58.200 0.085 0.000 0.965 96 S CB 0.005 63.220 63.200 0.024 0.000 0.785 96 S HN 0.292 nan 8.310 nan 0.000 0.495 97 K N 1.497 121.951 120.400 0.090 0.000 2.062 97 K HA 0.048 4.368 4.320 -0.000 0.000 0.205 97 K C 2.188 178.836 176.600 0.081 0.000 1.051 97 K CA 1.030 57.361 56.287 0.073 0.000 0.941 97 K CB -0.305 32.223 32.500 0.047 0.000 0.719 97 K HN 0.268 nan 8.250 nan 0.000 0.440 98 A N 1.368 124.242 122.820 0.089 0.000 1.841 98 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 98 A C 2.022 179.655 177.584 0.082 0.000 1.195 98 A CA 1.299 53.376 52.037 0.068 0.000 0.611 98 A CB -1.311 17.729 19.000 0.067 0.000 0.835 98 A HN 0.736 nan 8.150 nan 0.000 0.443 99 W N 1.166 122.450 121.300 -0.026 0.000 2.331 99 W HA -0.247 4.413 4.660 -0.000 0.000 0.291 99 W C 2.137 178.640 176.519 -0.027 0.000 1.214 99 W CA 2.246 59.572 57.345 -0.031 0.000 1.228 99 W CB -0.432 29.014 29.460 -0.024 0.000 1.135 99 W HN 0.439 nan 8.180 nan 0.000 0.537 100 A N 1.834 124.775 122.820 0.202 0.000 1.845 100 A HA -0.254 4.066 4.320 -0.000 0.000 0.215 100 A C 2.144 179.721 177.584 -0.012 0.000 1.195 100 A CA 2.483 54.592 52.037 0.120 0.000 0.616 100 A CB -1.074 17.992 19.000 0.110 0.000 0.832 100 A HN 0.385 nan 8.150 nan 0.000 0.443 101 R N 0.126 120.612 120.500 -0.024 0.000 2.246 101 R HA 0.287 4.627 4.340 -0.000 0.000 0.199 101 R C 0.776 177.012 176.300 -0.107 0.000 0.984 101 R CA 0.867 56.935 56.100 -0.053 0.000 1.015 101 R CB -1.033 29.251 30.300 -0.027 0.000 0.930 101 R HN 0.350 nan 8.270 nan 0.000 0.475 102 A N 1.970 124.693 122.820 -0.162 0.000 2.511 102 A HA 0.074 4.394 4.320 -0.000 0.000 0.242 102 A C 0.672 178.087 177.584 -0.282 0.000 1.069 102 A CA 0.040 51.940 52.037 -0.228 0.000 0.763 102 A CB 0.379 19.204 19.000 -0.291 0.000 1.001 102 A HN 0.408 nan 8.150 nan 0.000 0.498 103 K N 0.746 120.998 120.400 -0.246 0.000 2.360 103 K HA 0.387 4.707 4.320 -0.000 0.000 0.196 103 K C -0.770 175.645 176.600 -0.308 0.000 1.049 103 K CA 0.387 56.531 56.287 -0.238 0.000 1.049 103 K CB 0.509 32.912 32.500 -0.162 0.000 0.881 103 K HN 0.506 nan 8.250 nan 0.000 0.542 104 V N 1.907 121.605 119.914 -0.360 0.000 2.777 104 V HA 0.345 4.465 4.120 -0.000 0.000 0.306 104 V C -1.526 174.299 176.094 -0.448 0.000 1.112 104 V CA -1.076 60.946 62.300 -0.464 0.000 0.917 104 V CB 1.856 33.336 31.823 -0.572 0.000 1.018 104 V HN 0.113 nan 8.190 nan 0.000 0.426 105 I N 5.457 125.747 120.570 -0.467 0.000 2.534 105 I HA 0.792 4.962 4.170 -0.000 0.000 0.288 105 I C -1.286 174.655 176.117 -0.293 0.000 1.077 105 I CA -0.331 60.764 61.300 -0.342 0.000 1.051 105 I CB 2.145 39.944 38.000 -0.335 0.000 1.234 105 I HN 0.296 nan 8.210 nan 0.000 0.425 106 V N 7.346 127.137 119.914 -0.205 0.000 2.384 106 V HA 0.995 5.115 4.120 -0.000 0.000 0.287 106 V C 0.227 176.316 176.094 -0.009 0.000 1.020 106 V CA 0.175 62.403 62.300 -0.121 0.000 0.850 106 V CB 0.681 32.461 31.823 -0.072 0.000 0.987 106 V HN 1.128 nan 8.190 nan 0.000 0.436 107 A N 3.261 126.099 122.820 0.030 0.000 2.588 107 A HA 0.896 5.216 4.320 -0.000 0.000 0.290 107 A C -0.158 177.485 177.584 0.099 0.000 1.136 107 A CA -0.268 51.811 52.037 0.069 0.000 0.681 107 A CB 1.734 20.785 19.000 0.084 0.000 1.282 107 A HN 0.849 nan 8.150 nan 0.000 0.421 108 T N -0.501 114.110 114.554 0.095 0.000 2.904 108 T HA 0.516 4.866 4.350 -0.000 0.000 0.290 108 T C -1.469 173.295 174.700 0.106 0.000 1.018 108 T CA -0.953 61.212 62.100 0.108 0.000 1.075 108 T CB 1.232 70.141 68.868 0.069 0.000 0.986 108 T HN 0.396 nan 8.240 nan 0.000 0.523 109 P HA -0.164 nan 4.420 nan 0.000 0.217 109 P C 1.398 178.711 177.300 0.022 0.000 1.150 109 P CA 1.083 64.263 63.100 0.133 0.000 0.832 109 P CB 0.143 31.926 31.700 0.138 0.000 0.787 110 Q N 0.188 119.956 119.800 -0.053 0.000 1.935 110 Q HA -0.208 4.132 4.340 -0.000 0.000 0.212 110 Q C 2.316 178.309 176.000 -0.012 0.000 1.008 110 Q CA 2.364 58.130 55.803 -0.061 0.000 0.868 110 Q CB -2.347 26.357 28.738 -0.058 0.000 0.946 110 Q HN 0.255 nan 8.270 nan 0.000 0.418 111 T N 0.732 115.288 114.554 0.004 0.000 2.665 111 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 111 T C 1.962 176.668 174.700 0.009 0.000 1.035 111 T CA 1.391 63.495 62.100 0.008 0.000 1.151 111 T CB -0.239 68.640 68.868 0.019 0.000 0.862 111 T HN 0.147 nan 8.240 nan 0.000 0.438 112 I N 1.339 121.926 120.570 0.028 0.000 2.423 112 I HA -0.065 4.104 4.170 -0.000 0.000 0.254 112 I C 2.366 178.503 176.117 0.033 0.000 1.151 112 I CA 1.473 62.779 61.300 0.009 0.000 1.421 112 I CB -0.571 37.455 38.000 0.044 0.000 1.079 112 I HN 0.518 nan 8.210 nan 0.000 0.431 113 E N 0.115 120.370 120.200 0.092 0.000 2.028 113 E HA -0.225 4.124 4.350 -0.000 0.000 0.190 113 E C 1.959 178.628 176.600 0.115 0.000 0.984 113 E CA 1.258 57.781 56.400 0.205 0.000 0.800 113 E CB -0.005 29.800 29.700 0.176 0.000 0.758 113 E HN 0.437 nan 8.360 nan 0.000 0.448 114 N N 1.360 120.074 118.700 0.023 0.000 2.005 114 N HA -0.193 4.547 4.740 -0.000 0.000 0.199 114 N C 1.319 176.816 175.510 -0.021 0.000 1.054 114 N CA 1.955 54.996 53.050 -0.015 0.000 0.864 114 N CB -0.613 37.859 38.487 -0.025 0.000 1.063 114 N HN 0.199 nan 8.380 nan 0.000 0.428 115 D N -0.640 119.733 120.400 -0.045 0.000 2.354 115 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 115 D C 1.572 177.807 176.300 -0.108 0.000 0.970 115 D CA 0.277 54.223 54.000 -0.091 0.000 0.905 115 D CB -0.075 40.640 40.800 -0.141 0.000 0.903 115 D HN 0.116 nan 8.370 nan 0.000 0.508 116 L N -0.276 120.923 121.223 -0.041 0.000 2.162 116 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 116 L C 1.733 178.652 176.870 0.080 0.000 1.086 116 L CA 1.106 55.948 54.840 0.002 0.000 0.778 116 L CB -0.193 41.926 42.059 0.100 0.000 0.928 116 L HN 0.072 nan 8.230 nan 0.000 0.446 117 L N -0.992 120.286 121.223 0.091 0.000 2.007 117 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 117 L C 2.519 179.390 176.870 0.001 0.000 1.073 117 L CA 1.119 55.985 54.840 0.043 0.000 0.744 117 L CB -0.959 41.071 42.059 -0.048 0.000 0.898 117 L HN 0.228 nan 8.230 nan 0.000 0.435 118 A N -0.035 122.772 122.820 -0.021 0.000 2.194 118 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 118 A C 1.820 179.385 177.584 -0.033 0.000 1.162 118 A CA 1.286 53.305 52.037 -0.030 0.000 0.674 118 A CB -1.044 17.934 19.000 -0.037 0.000 0.789 118 A HN 0.697 nan 8.150 nan 0.000 0.470 119 G N -1.464 107.314 108.800 -0.036 0.000 2.143 119 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.248 119 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.248 119 G C 0.900 175.758 174.900 -0.071 0.000 0.991 119 G CA 0.701 45.775 45.100 -0.044 0.000 0.689 119 G HN 0.631 nan 8.290 nan 0.000 0.522 120 R N -0.232 120.210 120.500 -0.097 0.000 2.153 120 R HA 0.261 4.601 4.340 -0.000 0.000 0.218 120 R C 1.553 177.732 176.300 -0.201 0.000 1.072 120 R CA 1.481 57.512 56.100 -0.116 0.000 0.990 120 R CB -0.015 30.221 30.300 -0.106 0.000 0.889 120 R HN 0.782 nan 8.270 nan 0.000 0.452 121 I N -3.684 116.698 120.570 -0.314 0.000 2.730 121 I HA 0.476 4.646 4.170 -0.000 0.000 0.298 121 I C -0.965 174.915 176.117 -0.395 0.000 1.089 121 I CA -1.031 59.923 61.300 -0.576 0.000 1.041 121 I CB 2.520 39.765 38.000 -1.258 0.000 1.235 121 I HN -0.293 nan 8.210 nan 0.000 0.423 122 S N 5.480 121.022 115.700 -0.264 0.000 2.647 122 S HA 0.515 4.984 4.470 -0.000 0.000 0.300 122 S C -0.271 174.408 174.600 0.132 0.000 1.129 122 S CA -0.882 57.285 58.200 -0.054 0.000 1.029 122 S CB 1.207 64.413 63.200 0.010 0.000 1.007 122 S HN 0.752 nan 8.310 nan 0.000 0.484 123 L N 3.095 124.399 121.223 0.135 0.000 2.727 123 L HA 0.548 4.888 4.340 -0.000 0.000 0.237 123 L C 0.415 177.401 176.870 0.193 0.000 1.370 123 L CA -0.346 54.677 54.840 0.305 0.000 1.248 123 L CB -0.798 41.463 42.059 0.337 0.000 1.556 123 L HN 0.581 nan 8.230 nan 0.000 0.420 124 E N -1.586 118.697 120.200 0.137 0.000 2.389 124 E HA 0.009 4.359 4.350 -0.000 0.000 0.199 124 E C 0.538 177.166 176.600 0.047 0.000 0.978 124 E CA 0.013 56.437 56.400 0.041 0.000 0.912 124 E CB 0.213 29.927 29.700 0.023 0.000 0.907 124 E HN 0.360 nan 8.360 nan 0.000 0.494 125 D N 0.713 121.173 120.400 0.100 0.000 2.349 125 D HA 0.053 4.693 4.640 -0.000 0.000 0.214 125 D C -0.278 176.058 176.300 0.061 0.000 1.063 125 D CA 0.100 54.139 54.000 0.064 0.000 0.847 125 D CB 0.685 41.519 40.800 0.056 0.000 0.933 125 D HN -0.014 nan 8.370 nan 0.000 0.513 126 V N 2.406 122.400 119.914 0.134 0.000 2.381 126 V HA -0.017 4.103 4.120 -0.000 0.000 0.257 126 V C 1.476 177.683 176.094 0.189 0.000 1.057 126 V CA 0.154 62.544 62.300 0.149 0.000 1.013 126 V CB 0.525 32.519 31.823 0.284 0.000 1.069 126 V HN 0.124 nan 8.190 nan 0.000 0.484 127 S N 4.415 120.165 115.700 0.083 0.000 2.607 127 S HA 0.262 4.732 4.470 -0.000 0.000 0.224 127 S C 0.032 174.690 174.600 0.097 0.000 0.969 127 S CA -0.084 58.157 58.200 0.069 0.000 0.927 127 S CB -0.196 63.055 63.200 0.085 0.000 0.772 127 S HN 0.619 nan 8.310 nan 0.000 0.533 128 L N -0.164 121.102 121.223 0.071 0.000 2.787 128 L HA 0.530 4.870 4.340 -0.000 0.000 0.260 128 L C -2.038 174.714 176.870 -0.197 0.000 0.921 128 L CA -0.454 54.381 54.840 -0.008 0.000 0.984 128 L CB 1.270 43.352 42.059 0.038 0.000 1.519 128 L HN 0.139 nan 8.230 nan 0.000 0.452 129 I N 5.082 125.433 120.570 -0.366 0.000 2.474 129 I HA 0.632 4.802 4.170 -0.000 0.000 0.294 129 I C -0.887 174.979 176.117 -0.419 0.000 1.005 129 I CA -1.087 59.880 61.300 -0.556 0.000 1.113 129 I CB 2.171 39.608 38.000 -0.939 0.000 1.289 129 I HN 0.341 nan 8.210 nan 0.000 0.436 130 V N 6.473 126.122 119.914 -0.441 0.000 2.444 130 V HA 0.381 4.501 4.120 -0.000 0.000 0.294 130 V C -0.765 175.079 176.094 -0.417 0.000 1.022 130 V CA -0.519 61.623 62.300 -0.263 0.000 0.850 130 V CB 1.580 33.337 31.823 -0.109 0.000 0.992 130 V HN 0.368 nan 8.190 nan 0.000 0.426 131 F N 2.748 122.571 119.950 -0.212 0.000 2.361 131 F HA 0.412 4.939 4.527 -0.000 0.000 0.364 131 F C 0.484 176.207 175.800 -0.129 0.000 1.120 131 F CA -0.546 57.247 58.000 -0.346 0.000 1.102 131 F CB 0.952 39.601 39.000 -0.586 0.000 1.183 131 F HN 0.430 nan 8.300 nan 0.000 0.476 132 D N 2.818 123.295 120.400 0.129 0.000 2.302 132 D HA 0.113 4.753 4.640 -0.000 0.000 0.248 132 D C 0.196 176.669 176.300 0.290 0.000 1.094 132 D CA 0.321 54.436 54.000 0.191 0.000 0.897 132 D CB 0.536 41.459 40.800 0.205 0.000 1.200 132 D HN 0.672 nan 8.370 nan 0.000 0.429 133 E N 1.317 121.677 120.200 0.267 0.000 2.389 133 E HA -0.280 4.070 4.350 -0.000 0.000 0.243 133 E C 0.657 177.301 176.600 0.073 0.000 1.154 133 E CA 0.406 56.958 56.400 0.253 0.000 0.723 133 E CB -1.361 28.435 29.700 0.160 0.000 1.261 133 E HN 0.525 nan 8.360 nan 0.000 0.390 134 A N 0.297 123.231 122.820 0.189 0.000 2.084 134 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 134 A C 1.666 179.267 177.584 0.029 0.000 1.161 134 A CA 2.028 54.120 52.037 0.093 0.000 0.653 134 A CB -0.925 18.109 19.000 0.057 0.000 0.802 134 A HN 0.736 nan 8.150 nan 0.000 0.457 135 H N -0.300 118.807 119.070 0.063 0.000 2.489 135 H HA -0.056 4.500 4.556 -0.000 0.000 0.293 135 H C 1.614 176.935 175.328 -0.012 0.000 1.066 135 H CA 1.082 57.142 56.048 0.020 0.000 1.305 135 H CB -0.286 29.485 29.762 0.015 0.000 1.386 135 H HN 0.639 nan 8.280 nan 0.000 0.551 136 R N 1.188 121.361 120.500 -0.546 0.000 2.363 136 R HA 0.370 4.710 4.340 -0.000 0.000 0.236 136 R C 0.330 176.434 176.300 -0.326 0.000 0.966 136 R CA 0.415 56.201 56.100 -0.524 0.000 1.100 136 R CB 0.165 29.934 30.300 -0.885 0.000 1.125 136 R HN 0.298 nan 8.270 nan 0.000 0.514 137 A N 1.680 124.486 122.820 -0.023 0.000 3.197 137 A HA 0.357 4.677 4.320 -0.000 0.000 0.263 137 A C 0.329 177.945 177.584 0.055 0.000 1.524 137 A CA -0.489 51.624 52.037 0.127 0.000 1.176 137 A CB -0.336 18.679 19.000 0.024 0.000 1.096 137 A HN 0.295 nan 8.150 nan 0.000 0.655 138 V N -3.929 116.010 119.914 0.042 0.000 3.074 138 V HA 0.955 5.075 4.120 -0.000 0.000 0.314 138 V C 1.001 177.139 176.094 0.073 0.000 1.117 138 V CA -0.177 62.149 62.300 0.043 0.000 1.014 138 V CB 0.716 32.550 31.823 0.018 0.000 1.057 138 V HN 1.666 nan 8.190 nan 0.000 0.438 139 G N 1.656 110.492 108.800 0.061 0.000 2.672 139 G HA2 -0.447 3.512 3.960 -0.000 0.000 0.332 139 G HA3 -0.447 3.512 3.960 -0.000 0.000 0.332 139 G C 0.902 175.853 174.900 0.085 0.000 1.213 139 G CA 1.483 46.621 45.100 0.064 0.000 0.980 139 G HN 1.159 nan 8.290 nan 0.000 0.548 140 N N -1.733 117.023 118.700 0.093 0.000 2.336 140 N HA 0.040 4.780 4.740 -0.000 0.000 0.177 140 N C 0.876 176.455 175.510 0.116 0.000 1.018 140 N CA 0.050 53.151 53.050 0.086 0.000 0.878 140 N CB 0.095 38.616 38.487 0.056 0.000 0.997 140 N HN 0.451 nan 8.380 nan 0.000 0.433 141 Y N 1.452 121.754 120.300 0.003 0.000 3.167 141 Y HA -0.256 4.293 4.550 -0.000 0.000 0.354 141 Y C 1.354 177.288 175.900 0.057 0.000 1.253 141 Y CA 0.246 58.334 58.100 -0.020 0.000 1.580 141 Y CB 0.400 38.809 38.460 -0.085 0.000 1.164 141 Y HN 0.139 nan 8.280 nan 0.000 0.617 142 A N 5.752 128.313 122.820 -0.432 0.000 2.084 142 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 142 A C 1.991 179.713 177.584 0.230 0.000 1.161 142 A CA 1.820 53.797 52.037 -0.100 0.000 0.653 142 A CB -1.079 17.786 19.000 -0.224 0.000 0.802 142 A HN 0.997 nan 8.150 nan 0.000 0.457 143 Y N -1.469 118.940 120.300 0.182 0.000 2.097 143 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 143 Y C 2.737 178.723 175.900 0.144 0.000 1.152 143 Y CA 0.954 59.240 58.100 0.310 0.000 1.136 143 Y CB -0.327 38.346 38.460 0.355 0.000 0.975 143 Y HN 0.252 nan 8.280 nan 0.000 0.498 144 V N 0.376 120.470 119.914 0.301 0.000 2.282 144 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 144 V C 2.105 178.304 176.094 0.175 0.000 1.057 144 V CA 2.174 64.572 62.300 0.162 0.000 1.032 144 V CB -0.735 31.180 31.823 0.153 0.000 0.645 144 V HN 0.456 nan 8.190 nan 0.000 0.447 145 F N 1.018 121.031 119.950 0.105 0.000 2.051 145 F HA -0.169 4.358 4.527 -0.000 0.000 0.296 145 F C 2.061 177.934 175.800 0.121 0.000 1.122 145 F CA 2.306 60.357 58.000 0.085 0.000 1.201 145 F CB -0.662 38.370 39.000 0.054 0.000 0.978 145 F HN 0.214 nan 8.300 nan 0.000 0.472 146 I N 0.725 121.166 120.570 -0.215 0.000 2.194 146 I HA -0.361 3.809 4.170 -0.000 0.000 0.246 146 I C 2.728 178.824 176.117 -0.035 0.000 1.093 146 I CA 1.335 62.498 61.300 -0.228 0.000 1.355 146 I CB -1.248 36.825 38.000 0.122 0.000 1.046 146 I HN 0.303 nan 8.210 nan 0.000 0.413 147 A N 0.865 123.749 122.820 0.106 0.000 1.883 147 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 147 A C 2.490 180.120 177.584 0.076 0.000 1.186 147 A CA 1.962 54.080 52.037 0.136 0.000 0.624 147 A CB -0.709 18.259 19.000 -0.053 0.000 0.822 147 A HN 0.365 nan 8.150 nan 0.000 0.444 148 R N -0.641 119.850 120.500 -0.015 0.000 2.080 148 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 148 R C 2.101 178.364 176.300 -0.062 0.000 1.137 148 R CA 1.695 57.782 56.100 -0.020 0.000 0.943 148 R CB -0.258 30.048 30.300 0.011 0.000 0.846 148 R HN 0.498 nan 8.270 nan 0.000 0.431 149 E N -0.023 120.052 120.200 -0.209 0.000 2.023 149 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 149 E C 1.759 178.328 176.600 -0.053 0.000 1.003 149 E CA 1.420 57.707 56.400 -0.188 0.000 0.809 149 E CB -0.762 28.700 29.700 -0.396 0.000 0.755 149 E HN 0.410 nan 8.360 nan 0.000 0.449 150 Y N 1.923 122.156 120.300 -0.110 0.000 2.081 150 Y HA -0.297 4.253 4.550 -0.000 0.000 0.280 150 Y C 2.493 178.378 175.900 -0.025 0.000 1.163 150 Y CA 2.445 60.521 58.100 -0.041 0.000 1.135 150 Y CB -0.266 38.198 38.460 0.006 0.000 0.970 150 Y HN -0.032 nan 8.280 nan 0.000 0.498 151 K N 0.142 120.546 120.400 0.007 0.000 2.218 151 K HA -0.265 4.055 4.320 -0.000 0.000 0.205 151 K C 2.112 178.641 176.600 -0.118 0.000 1.046 151 K CA 2.070 58.321 56.287 -0.059 0.000 0.933 151 K CB -0.151 32.362 32.500 0.023 0.000 0.728 151 K HN 0.585 nan 8.250 nan 0.000 0.454 152 R N -0.326 120.113 120.500 -0.101 0.000 2.225 152 R HA 0.003 4.343 4.340 -0.000 0.000 0.194 152 R C 1.386 177.624 176.300 -0.103 0.000 0.957 152 R CA 0.498 56.547 56.100 -0.085 0.000 1.042 152 R CB -0.035 30.239 30.300 -0.042 0.000 1.004 152 R HN 0.223 nan 8.270 nan 0.000 0.509 153 Q N 0.724 120.448 119.800 -0.126 0.000 2.175 153 Q HA 0.445 4.785 4.340 -0.000 0.000 0.225 153 Q C -0.753 175.155 176.000 -0.154 0.000 0.837 153 Q CA -0.400 55.339 55.803 -0.107 0.000 1.032 153 Q CB 1.326 30.030 28.738 -0.058 0.000 1.137 153 Q HN 0.261 nan 8.270 nan 0.000 0.483 154 A N 1.031 123.683 122.820 -0.281 0.000 2.303 154 A HA 0.391 4.711 4.320 -0.000 0.000 0.320 154 A C 0.289 177.731 177.584 -0.236 0.000 1.192 154 A CA -0.749 51.082 52.037 -0.344 0.000 0.821 154 A CB 1.131 19.617 19.000 -0.856 0.000 1.188 154 A HN 0.292 nan 8.150 nan 0.000 0.492 155 K N 1.426 121.739 120.400 -0.145 0.000 1.978 155 K HA -0.150 4.170 4.320 -0.000 0.000 0.214 155 K C -0.314 176.201 176.600 -0.141 0.000 1.049 155 K CA 1.940 58.164 56.287 -0.105 0.000 0.939 155 K CB -0.174 32.294 32.500 -0.054 0.000 0.721 155 K HN 0.788 nan 8.250 nan 0.000 0.441 156 N N 1.628 120.221 118.700 -0.178 0.000 2.696 156 N HA 0.200 4.940 4.740 -0.000 0.000 0.246 156 N C -2.770 172.597 175.510 -0.238 0.000 1.057 156 N CA -1.327 51.554 53.050 -0.283 0.000 0.867 156 N CB 1.480 39.642 38.487 -0.542 0.000 1.141 156 N HN 0.067 nan 8.380 nan 0.000 0.517 157 P HA 0.311 nan 4.420 nan 0.000 0.286 157 P C -0.918 176.431 177.300 0.082 0.000 1.261 157 P CA -0.511 62.538 63.100 -0.085 0.000 0.821 157 P CB 1.807 33.333 31.700 -0.291 0.000 1.013 158 L N 2.298 123.694 121.223 0.288 0.000 2.562 158 L HA 0.335 4.675 4.340 -0.000 0.000 0.266 158 L C -1.441 175.536 176.870 0.179 0.000 0.949 158 L CA -0.861 54.085 54.840 0.177 0.000 0.879 158 L CB 2.228 44.356 42.059 0.116 0.000 1.278 158 L HN 0.064 nan 8.230 nan 0.000 0.404 159 V N 5.739 125.751 119.914 0.163 0.000 2.417 159 V HA 0.531 4.651 4.120 -0.000 0.000 0.291 159 V C -0.225 175.941 176.094 0.119 0.000 1.024 159 V CA -0.467 61.917 62.300 0.141 0.000 0.861 159 V CB 1.959 33.898 31.823 0.194 0.000 0.985 159 V HN 0.415 nan 8.190 nan 0.000 0.436 160 I N 4.350 124.988 120.570 0.112 0.000 2.447 160 I HA 0.538 4.707 4.170 -0.000 0.000 0.287 160 I C 0.493 176.691 176.117 0.135 0.000 1.023 160 I CA -0.105 61.255 61.300 0.100 0.000 1.083 160 I CB 1.696 39.742 38.000 0.076 0.000 1.245 160 I HN 0.693 nan 8.210 nan 0.000 0.434 161 G N 7.130 116.000 108.800 0.117 0.000 2.416 161 G HA2 0.706 4.665 3.960 -0.000 0.000 0.324 161 G HA3 0.706 4.665 3.960 -0.000 0.000 0.324 161 G C -0.832 174.128 174.900 0.099 0.000 1.194 161 G CA -0.448 44.725 45.100 0.122 0.000 0.922 161 G HN 0.436 nan 8.290 nan 0.000 0.467 162 L N 1.547 122.838 121.223 0.114 0.000 2.317 162 L HA 0.818 5.158 4.340 -0.000 0.000 0.281 162 L C 0.322 177.284 176.870 0.152 0.000 1.024 162 L CA -0.643 54.263 54.840 0.109 0.000 0.810 162 L CB 2.251 44.367 42.059 0.094 0.000 1.240 162 L HN 0.575 nan 8.230 nan 0.000 0.427 163 T N 0.431 115.062 114.554 0.128 0.000 2.827 163 T HA 0.451 4.801 4.350 -0.000 0.000 0.328 163 T C -0.008 174.722 174.700 0.050 0.000 1.598 163 T CA 0.239 62.428 62.100 0.148 0.000 1.043 163 T CB 1.613 70.611 68.868 0.216 0.000 1.447 163 T HN 0.610 nan 8.240 nan 0.000 0.491 164 A N 1.689 124.499 122.820 -0.016 0.000 2.251 164 A HA 0.649 4.969 4.320 -0.000 0.000 0.209 164 A C 0.768 178.322 177.584 -0.051 0.000 1.187 164 A CA 0.763 52.775 52.037 -0.042 0.000 0.823 164 A CB -0.178 18.789 19.000 -0.055 0.000 0.846 164 A HN 1.244 nan 8.150 nan 0.000 0.486 165 S N -1.009 114.645 115.700 -0.076 0.000 2.605 165 S HA 0.298 4.768 4.470 -0.000 0.000 0.324 165 S C -2.803 171.778 174.600 -0.032 0.000 0.978 165 S CA -0.248 57.928 58.200 -0.039 0.000 0.864 165 S CB 1.251 64.410 63.200 -0.067 0.000 1.095 165 S HN 0.003 nan 8.310 nan 0.000 0.460 166 P HA 0.288 nan 4.420 nan 0.000 0.237 166 P C 0.761 178.103 177.300 0.071 0.000 1.178 166 P CA 1.045 64.192 63.100 0.078 0.000 0.766 166 P CB -0.119 31.613 31.700 0.054 0.000 0.876 167 G N -0.664 108.156 108.800 0.034 0.000 2.352 167 G HA2 0.169 4.129 3.960 -0.000 0.000 0.302 167 G HA3 0.169 4.129 3.960 -0.000 0.000 0.302 167 G C 0.091 174.995 174.900 0.006 0.000 1.370 167 G CA 0.167 45.284 45.100 0.029 0.000 0.918 167 G HN -0.030 nan 8.290 nan 0.000 0.610 168 S N -1.915 113.788 115.700 0.005 0.000 2.559 168 S HA 0.415 4.885 4.470 -0.000 0.000 0.226 168 S C 0.735 175.332 174.600 -0.005 0.000 1.030 168 S CA 0.890 59.088 58.200 -0.003 0.000 0.956 168 S CB 0.865 64.063 63.200 -0.003 0.000 0.900 168 S HN 0.780 nan 8.310 nan 0.000 0.510 169 T N 3.787 118.341 114.554 0.000 0.000 2.859 169 T HA 0.456 4.805 4.350 -0.000 0.000 0.281 169 T C -2.166 172.532 174.700 -0.002 0.000 1.005 169 T CA -1.539 60.561 62.100 -0.001 0.000 1.025 169 T CB 1.796 70.666 68.868 0.003 0.000 0.977 169 T HN -0.143 nan 8.240 nan 0.000 0.458 170 P HA -0.101 nan 4.420 nan 0.000 0.215 170 P C 1.145 178.445 177.300 -0.001 0.000 1.157 170 P CA 1.080 64.176 63.100 -0.007 0.000 0.874 170 P CB 0.296 31.991 31.700 -0.008 0.000 0.790 171 E N -0.372 119.829 120.200 0.001 0.000 2.058 171 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 171 E C 1.977 178.581 176.600 0.008 0.000 0.997 171 E CA 1.394 57.797 56.400 0.005 0.000 0.801 171 E CB -0.639 29.064 29.700 0.005 0.000 0.746 171 E HN 0.056 nan 8.360 nan 0.000 0.450 172 K N 0.518 120.924 120.400 0.010 0.000 2.032 172 K HA -0.085 4.235 4.320 -0.000 0.000 0.209 172 K C 1.887 178.497 176.600 0.016 0.000 1.048 172 K CA 1.217 57.513 56.287 0.015 0.000 0.927 172 K CB -0.387 32.125 32.500 0.019 0.000 0.712 172 K HN 0.117 nan 8.250 nan 0.000 0.441 173 I N 0.002 120.580 120.570 0.012 0.000 2.163 173 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 173 I C 2.205 178.326 176.117 0.007 0.000 1.085 173 I CA 1.026 62.332 61.300 0.011 0.000 1.347 173 I CB -0.286 37.715 38.000 0.001 0.000 1.044 173 I HN 0.207 nan 8.210 nan 0.000 0.408 174 M N 0.158 119.761 119.600 0.005 0.000 2.108 174 M HA -0.249 4.231 4.480 -0.000 0.000 0.261 174 M C 2.253 178.556 176.300 0.005 0.000 1.066 174 M CA 1.716 57.018 55.300 0.004 0.000 1.107 174 M CB -1.172 31.431 32.600 0.004 0.000 1.356 174 M HN 0.302 nan 8.290 nan 0.000 0.406 175 E N -0.089 120.115 120.200 0.008 0.000 2.058 175 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 175 E C 2.011 178.613 176.600 0.003 0.000 0.997 175 E CA 1.853 58.258 56.400 0.010 0.000 0.801 175 E CB 0.011 29.720 29.700 0.015 0.000 0.746 175 E HN 0.311 nan 8.360 nan 0.000 0.450 176 V N 0.353 120.268 119.914 0.002 0.000 2.379 176 V HA -0.180 3.939 4.120 -0.000 0.000 0.245 176 V C 2.138 178.215 176.094 -0.028 0.000 1.044 176 V CA 1.490 63.781 62.300 -0.016 0.000 1.036 176 V CB -0.399 31.423 31.823 -0.002 0.000 0.664 176 V HN 0.329 nan 8.190 nan 0.000 0.453 177 I N 1.168 121.731 120.570 -0.012 0.000 2.194 177 I HA -0.230 3.940 4.170 -0.000 0.000 0.246 177 I C 2.509 178.620 176.117 -0.011 0.000 1.093 177 I CA 2.137 63.431 61.300 -0.010 0.000 1.355 177 I CB -0.653 37.347 38.000 0.001 0.000 1.046 177 I HN 0.422 nan 8.210 nan 0.000 0.413 178 N N 0.863 119.559 118.700 -0.006 0.000 2.171 178 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 178 N C 1.510 177.015 175.510 -0.008 0.000 1.021 178 N CA 1.225 54.275 53.050 -0.001 0.000 0.854 178 N CB -0.603 37.887 38.487 0.005 0.000 0.994 178 N HN 0.466 nan 8.380 nan 0.000 0.426 179 N N 0.414 119.103 118.700 -0.018 0.000 2.223 179 N HA -0.027 4.713 4.740 -0.000 0.000 0.185 179 N C 0.929 176.395 175.510 -0.073 0.000 1.016 179 N CA 0.571 53.603 53.050 -0.030 0.000 0.863 179 N CB 0.073 38.543 38.487 -0.028 0.000 0.983 179 N HN 0.161 nan 8.380 nan 0.000 0.429 180 L N -0.477 120.685 121.223 -0.101 0.000 2.667 180 L HA 0.287 4.627 4.340 -0.000 0.000 0.232 180 L C 0.796 177.646 176.870 -0.034 0.000 1.138 180 L CA -0.333 54.424 54.840 -0.138 0.000 0.921 180 L CB 0.292 42.208 42.059 -0.239 0.000 1.180 180 L HN 0.063 nan 8.230 nan 0.000 0.487 181 G N 1.700 110.494 108.800 -0.009 0.000 2.366 181 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.299 181 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.299 181 G C 0.145 175.062 174.900 0.027 0.000 1.020 181 G CA -0.215 44.895 45.100 0.018 0.000 1.026 181 G HN 0.178 nan 8.290 nan 0.000 0.512 182 I N 0.115 120.696 120.570 0.017 0.000 2.452 182 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 182 I C 1.217 177.362 176.117 0.047 0.000 1.079 182 I CA -0.123 61.196 61.300 0.031 0.000 1.387 182 I CB 1.323 39.332 38.000 0.015 0.000 1.404 182 I HN 0.307 nan 8.210 nan 0.000 0.522 183 E N 5.316 125.559 120.200 0.072 0.000 2.364 183 E HA 0.050 4.400 4.350 -0.000 0.000 0.196 183 E C 0.021 176.716 176.600 0.158 0.000 0.990 183 E CA 0.817 57.270 56.400 0.087 0.000 0.886 183 E CB 0.409 30.153 29.700 0.074 0.000 0.866 183 E HN 0.629 nan 8.360 nan 0.000 0.493 184 H N -1.168 117.915 119.070 0.022 0.000 3.085 184 H HA 0.356 4.912 4.556 -0.000 0.000 0.356 184 H C -1.339 174.009 175.328 0.034 0.000 1.178 184 H CA -0.700 55.363 56.048 0.024 0.000 1.214 184 H CB 0.849 30.624 29.762 0.021 0.000 1.881 184 H HN -0.073 nan 8.280 nan 0.000 0.538 185 I N 3.000 123.244 120.570 -0.545 0.000 2.433 185 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 185 I C -0.656 175.121 176.117 -0.567 0.000 1.001 185 I CA -0.595 60.468 61.300 -0.396 0.000 1.119 185 I CB 2.176 40.087 38.000 -0.148 0.000 1.289 185 I HN 0.505 nan 8.210 nan 0.000 0.438 186 E N 5.515 125.548 120.200 -0.278 0.000 2.155 186 E HA 0.326 4.675 4.350 -0.000 0.000 0.264 186 E C -1.740 174.880 176.600 0.033 0.000 0.886 186 E CA -0.412 55.923 56.400 -0.108 0.000 0.752 186 E CB 1.105 30.788 29.700 -0.028 0.000 1.133 186 E HN 0.372 nan 8.360 nan 0.000 0.414 187 Y N 3.636 123.900 120.300 -0.060 0.000 2.528 187 Y HA 0.783 5.333 4.550 -0.000 0.000 0.335 187 Y C -0.959 174.922 175.900 -0.032 0.000 1.093 187 Y CA -0.902 57.173 58.100 -0.042 0.000 1.134 187 Y CB 1.384 39.819 38.460 -0.041 0.000 1.253 187 Y HN 0.500 nan 8.280 nan 0.000 0.478 188 R N 1.626 121.669 120.500 -0.761 0.000 2.604 188 R HA 0.468 4.808 4.340 -0.000 0.000 0.261 188 R C -1.561 174.314 176.300 -0.708 0.000 1.080 188 R CA -0.436 55.354 56.100 -0.516 0.000 0.917 188 R CB 1.690 31.786 30.300 -0.339 0.000 1.252 188 R HN 0.816 nan 8.270 nan 0.000 0.456 189 S N 0.272 115.737 115.700 -0.391 0.000 2.648 189 S HA 0.319 4.789 4.470 -0.000 0.000 0.305 189 S C 0.632 175.126 174.600 -0.176 0.000 1.094 189 S CA -0.608 57.436 58.200 -0.260 0.000 0.983 189 S CB 1.801 64.961 63.200 -0.067 0.000 1.101 189 S HN 0.725 nan 8.310 nan 0.000 0.514 190 E N 0.492 120.621 120.200 -0.118 0.000 2.331 190 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 190 E C 0.730 177.301 176.600 -0.048 0.000 1.008 190 E CA 1.257 57.608 56.400 -0.081 0.000 0.843 190 E CB -0.220 29.459 29.700 -0.035 0.000 0.761 190 E HN 0.718 nan 8.360 nan 0.000 0.507 191 N N -0.540 118.140 118.700 -0.034 0.000 2.236 191 N HA 0.068 4.808 4.740 -0.000 0.000 0.196 191 N C -0.832 174.675 175.510 -0.005 0.000 1.114 191 N CA -0.091 52.954 53.050 -0.008 0.000 0.859 191 N CB 0.822 39.316 38.487 0.011 0.000 0.982 191 N HN -0.116 nan 8.380 nan 0.000 0.493 192 S N 2.238 117.923 115.700 -0.025 0.000 2.552 192 S HA 0.006 4.476 4.470 -0.000 0.000 0.289 192 S C -1.309 173.298 174.600 0.013 0.000 1.304 192 S CA -0.801 57.396 58.200 -0.004 0.000 1.063 192 S CB 0.810 63.990 63.200 -0.033 0.000 0.848 192 S HN 0.267 nan 8.310 nan 0.000 0.499 193 P HA -0.185 nan 4.420 nan 0.000 0.222 193 P C 0.738 178.072 177.300 0.057 0.000 1.142 193 P CA 1.050 64.169 63.100 0.032 0.000 0.788 193 P CB 0.235 31.954 31.700 0.033 0.000 0.767 194 D N -0.408 120.041 120.400 0.081 0.000 2.149 194 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 194 D C 1.832 178.296 176.300 0.273 0.000 0.972 194 D CA 0.796 54.893 54.000 0.162 0.000 0.835 194 D CB -0.083 40.803 40.800 0.143 0.000 0.966 194 D HN -0.002 nan 8.370 nan 0.000 0.476 195 V N 0.448 120.439 119.914 0.128 0.000 2.922 195 V HA 0.061 4.181 4.120 -0.000 0.000 0.242 195 V C 2.390 178.579 176.094 0.159 0.000 1.094 195 V CA 0.148 62.534 62.300 0.143 0.000 1.106 195 V CB -0.172 31.517 31.823 -0.223 0.000 0.799 195 V HN 0.064 nan 8.190 nan 0.000 0.474 196 R N 0.837 121.364 120.500 0.045 0.000 2.189 196 R HA -0.249 4.091 4.340 -0.000 0.000 0.252 196 R C -0.033 176.242 176.300 -0.042 0.000 1.134 196 R CA 2.412 58.515 56.100 0.005 0.000 0.954 196 R CB -2.348 27.947 30.300 -0.009 0.000 0.890 196 R HN 0.440 nan 8.270 nan 0.000 0.443 197 P HA -0.147 nan 4.420 nan 0.000 0.222 197 P C 0.366 177.403 177.300 -0.439 0.000 1.142 197 P CA 1.365 64.248 63.100 -0.362 0.000 0.788 197 P CB -0.078 31.278 31.700 -0.574 0.000 0.767 198 Y N -2.500 117.839 120.300 0.066 0.000 2.467 198 Y HA 0.179 4.729 4.550 -0.000 0.000 0.250 198 Y C 0.660 176.590 175.900 0.049 0.000 1.155 198 Y CA -0.403 57.742 58.100 0.074 0.000 1.249 198 Y CB 0.066 38.622 38.460 0.161 0.000 1.146 198 Y HN -0.305 nan 8.280 nan 0.000 0.524 199 V N 1.205 121.191 119.914 0.120 0.000 2.370 199 V HA 0.278 4.398 4.120 -0.000 0.000 0.283 199 V C -0.113 176.003 176.094 0.036 0.000 1.023 199 V CA -1.678 60.667 62.300 0.075 0.000 0.857 199 V CB 1.342 33.194 31.823 0.050 0.000 0.985 199 V HN 0.057 nan 8.190 nan 0.000 0.443 200 K N 2.887 123.305 120.400 0.030 0.000 2.298 200 K HA 0.476 4.796 4.320 -0.000 0.000 0.280 200 K C 0.751 177.348 176.600 -0.005 0.000 1.032 200 K CA -0.088 56.203 56.287 0.007 0.000 0.958 200 K CB 1.110 33.610 32.500 0.001 0.000 0.978 200 K HN 0.939 nan 8.250 nan 0.000 0.472 201 G N 2.185 110.977 108.800 -0.014 0.000 2.483 201 G HA2 0.117 4.077 3.960 -0.000 0.000 0.248 201 G HA3 0.117 4.077 3.960 -0.000 0.000 0.248 201 G C 0.668 175.529 174.900 -0.065 0.000 1.248 201 G CA -0.512 44.576 45.100 -0.020 0.000 0.838 201 G HN 0.467 nan 8.290 nan 0.000 0.566 202 I N 0.664 121.169 120.570 -0.107 0.000 2.899 202 I HA 0.192 4.362 4.170 -0.000 0.000 0.257 202 I C 1.409 177.324 176.117 -0.337 0.000 1.115 202 I CA 0.298 61.432 61.300 -0.276 0.000 1.451 202 I CB -0.804 36.908 38.000 -0.480 0.000 1.251 202 I HN 0.740 nan 8.210 nan 0.000 0.456 203 R N 1.542 121.901 120.500 -0.235 0.000 2.496 203 R HA -0.200 4.140 4.340 -0.000 0.000 0.326 203 R C -1.638 174.540 176.300 -0.204 0.000 1.032 203 R CA 0.004 56.032 56.100 -0.119 0.000 0.827 203 R CB -1.583 28.678 30.300 -0.064 0.000 2.368 203 R HN 0.055 nan 8.270 nan 0.000 0.490 204 F N 2.938 122.877 119.950 -0.019 0.000 2.411 204 F HA 0.242 4.769 4.527 -0.000 0.000 0.350 204 F C 0.987 176.692 175.800 -0.158 0.000 1.114 204 F CA -0.282 57.593 58.000 -0.208 0.000 1.135 204 F CB 1.302 39.968 39.000 -0.557 0.000 1.120 204 F HN 0.230 nan 8.300 nan 0.000 0.495 205 E N 4.014 124.209 120.200 -0.009 0.000 2.044 205 E HA 0.045 4.395 4.350 -0.000 0.000 0.282 205 E C -0.939 175.626 176.600 -0.058 0.000 1.031 205 E CA -0.372 56.037 56.400 0.016 0.000 0.824 205 E CB 0.684 30.388 29.700 0.007 0.000 1.076 205 E HN 0.500 nan 8.360 nan 0.000 0.395 206 W N 4.650 125.885 121.300 -0.108 0.000 2.358 206 W HA 0.192 4.851 4.660 -0.000 0.000 0.307 206 W C -0.135 176.289 176.519 -0.159 0.000 1.203 206 W CA -0.495 56.724 57.345 -0.210 0.000 1.279 206 W CB 1.115 30.269 29.460 -0.510 0.000 1.264 206 W HN 0.239 nan 8.180 nan 0.000 0.474 207 V N 3.930 123.875 119.914 0.053 0.000 2.448 207 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 207 V C -0.178 175.934 176.094 0.031 0.000 1.025 207 V CA -1.226 61.093 62.300 0.032 0.000 0.859 207 V CB 1.808 33.636 31.823 0.009 0.000 0.988 207 V HN 0.529 nan 8.190 nan 0.000 0.431 208 R N 4.387 124.905 120.500 0.030 0.000 2.202 208 R HA 0.550 4.890 4.340 -0.000 0.000 0.334 208 R C -1.197 175.111 176.300 0.013 0.000 1.036 208 R CA -0.382 55.735 56.100 0.029 0.000 0.878 208 R CB 1.465 31.789 30.300 0.040 0.000 1.067 208 R HN 0.769 nan 8.270 nan 0.000 0.457 209 V N 5.207 125.119 119.914 -0.003 0.000 2.488 209 V HA 0.057 4.177 4.120 -0.000 0.000 0.277 209 V C 0.012 176.095 176.094 -0.019 0.000 1.046 209 V CA -0.267 62.020 62.300 -0.020 0.000 0.986 209 V CB 1.246 33.041 31.823 -0.048 0.000 0.989 209 V HN 0.760 nan 8.190 nan 0.000 0.475 210 D N 3.896 124.286 120.400 -0.016 0.000 2.329 210 D HA 0.460 5.100 4.640 -0.000 0.000 0.246 210 D C -0.297 175.978 176.300 -0.042 0.000 1.111 210 D CA -0.214 53.780 54.000 -0.010 0.000 0.941 210 D CB 0.891 41.692 40.800 0.002 0.000 1.169 210 D HN 0.378 nan 8.370 nan 0.000 0.441 211 L N 2.984 124.192 121.223 -0.025 0.000 2.272 211 L HA 0.392 4.732 4.340 -0.000 0.000 0.289 211 L C -2.005 174.870 176.870 0.009 0.000 1.032 211 L CA -1.930 52.884 54.840 -0.042 0.000 0.810 211 L CB 1.006 43.104 42.059 0.064 0.000 1.205 211 L HN 0.216 nan 8.230 nan 0.000 0.422 212 P HA 0.047 nan 4.420 nan 0.000 0.271 212 P C 0.222 177.565 177.300 0.072 0.000 1.216 212 P CA -0.292 62.826 63.100 0.030 0.000 0.776 212 P CB 1.138 32.848 31.700 0.017 0.000 0.881 213 E N 1.986 122.215 120.200 0.048 0.000 2.172 213 E HA -0.225 4.125 4.350 -0.000 0.000 0.213 213 E C 1.850 178.479 176.600 0.048 0.000 1.051 213 E CA 1.560 57.986 56.400 0.043 0.000 0.860 213 E CB -0.647 29.069 29.700 0.027 0.000 0.755 213 E HN 0.558 nan 8.360 nan 0.000 0.462 214 I N -0.401 120.201 120.570 0.053 0.000 2.142 214 I HA -0.305 3.865 4.170 -0.000 0.000 0.240 214 I C 2.446 178.592 176.117 0.047 0.000 1.078 214 I CA 1.357 62.681 61.300 0.041 0.000 1.343 214 I CB -0.402 37.623 38.000 0.042 0.000 1.046 214 I HN 0.089 nan 8.210 nan 0.000 0.405 215 Y N 1.802 122.078 120.300 -0.041 0.000 2.081 215 Y HA -0.363 4.187 4.550 -0.000 0.000 0.280 215 Y C 2.696 178.560 175.900 -0.060 0.000 1.163 215 Y CA 2.078 60.139 58.100 -0.065 0.000 1.135 215 Y CB -0.237 38.168 38.460 -0.091 0.000 0.970 215 Y HN -0.035 nan 8.280 nan 0.000 0.498 216 K N -0.235 120.256 120.400 0.151 0.000 2.020 216 K HA -0.309 4.011 4.320 -0.000 0.000 0.212 216 K C 2.154 178.739 176.600 -0.026 0.000 1.050 216 K CA 2.033 58.361 56.287 0.069 0.000 0.929 216 K CB -0.273 32.272 32.500 0.076 0.000 0.714 216 K HN 0.253 nan 8.250 nan 0.000 0.443 217 E N 0.275 120.461 120.200 -0.023 0.000 2.051 217 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 217 E C 1.816 178.370 176.600 -0.077 0.000 0.991 217 E CA 1.387 57.764 56.400 -0.039 0.000 0.799 217 E CB -0.290 29.397 29.700 -0.022 0.000 0.748 217 E HN 0.126 nan 8.360 nan 0.000 0.449 218 V N 0.928 120.776 119.914 -0.110 0.000 2.282 218 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 218 V C 2.649 178.639 176.094 -0.173 0.000 1.057 218 V CA 2.328 64.543 62.300 -0.142 0.000 1.032 218 V CB -0.593 31.120 31.823 -0.183 0.000 0.645 218 V HN 0.284 nan 8.190 nan 0.000 0.447 219 R N 0.254 120.611 120.500 -0.238 0.000 2.080 219 R HA -0.235 4.105 4.340 -0.000 0.000 0.236 219 R C 2.466 178.692 176.300 -0.123 0.000 1.137 219 R CA 2.252 58.220 56.100 -0.219 0.000 0.943 219 R CB -0.352 29.797 30.300 -0.251 0.000 0.846 219 R HN 0.506 nan 8.270 nan 0.000 0.431 220 K N 0.434 120.782 120.400 -0.087 0.000 2.032 220 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 220 K C 2.118 178.687 176.600 -0.052 0.000 1.048 220 K CA 1.749 58.004 56.287 -0.053 0.000 0.927 220 K CB -0.169 32.311 32.500 -0.035 0.000 0.712 220 K HN 0.229 nan 8.250 nan 0.000 0.441 221 L N 0.895 122.082 121.223 -0.060 0.000 2.012 221 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 221 L C 2.516 179.350 176.870 -0.059 0.000 1.073 221 L CA 1.160 55.968 54.840 -0.054 0.000 0.748 221 L CB -0.451 41.573 42.059 -0.059 0.000 0.891 221 L HN 0.257 nan 8.230 nan 0.000 0.431 222 L N -0.661 120.515 121.223 -0.078 0.000 2.042 222 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 222 L C 2.913 179.748 176.870 -0.057 0.000 1.076 222 L CA 1.352 56.147 54.840 -0.075 0.000 0.749 222 L CB -0.494 41.505 42.059 -0.101 0.000 0.893 222 L HN 0.243 nan 8.230 nan 0.000 0.432 223 R N -0.335 120.129 120.500 -0.060 0.000 2.070 223 R HA -0.155 4.184 4.340 -0.000 0.000 0.233 223 R C 2.189 178.477 176.300 -0.020 0.000 1.137 223 R CA 1.184 57.260 56.100 -0.040 0.000 0.945 223 R CB -0.414 29.863 30.300 -0.038 0.000 0.845 223 R HN 0.266 nan 8.270 nan 0.000 0.430 224 E N 0.710 120.897 120.200 -0.021 0.000 2.171 224 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 224 E C 1.953 178.552 176.600 -0.003 0.000 0.997 224 E CA 1.468 57.862 56.400 -0.011 0.000 0.810 224 E CB -0.160 29.532 29.700 -0.013 0.000 0.738 224 E HN 0.408 nan 8.360 nan 0.000 0.467 225 M N -0.205 119.390 119.600 -0.009 0.000 2.156 225 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 225 M C 2.398 178.710 176.300 0.019 0.000 1.067 225 M CA 0.786 56.087 55.300 0.002 0.000 1.131 225 M CB -0.130 32.460 32.600 -0.018 0.000 1.368 225 M HN 0.083 nan 8.290 nan 0.000 0.416 226 L N 0.052 121.283 121.223 0.014 0.000 2.042 226 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 226 L C 2.686 179.579 176.870 0.038 0.000 1.076 226 L CA 1.567 56.427 54.840 0.033 0.000 0.749 226 L CB -0.427 41.650 42.059 0.030 0.000 0.893 226 L HN 0.328 nan 8.230 nan 0.000 0.432 227 R N -0.000 120.514 120.500 0.024 0.000 2.097 227 R HA -0.230 4.109 4.340 -0.000 0.000 0.236 227 R C 1.866 178.179 176.300 0.021 0.000 1.135 227 R CA 2.315 58.426 56.100 0.020 0.000 0.934 227 R CB -0.300 30.006 30.300 0.010 0.000 0.846 227 R HN 0.417 nan 8.270 nan 0.000 0.431 228 D N 0.007 120.423 120.400 0.027 0.000 2.182 228 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 228 D C 1.652 177.992 176.300 0.066 0.000 0.986 228 D CA 1.440 55.461 54.000 0.035 0.000 0.847 228 D CB -0.196 40.633 40.800 0.048 0.000 0.942 228 D HN 0.434 nan 8.370 nan 0.000 0.467 229 A N 0.278 123.159 122.820 0.102 0.000 1.969 229 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 229 A C 2.313 179.968 177.584 0.118 0.000 1.169 229 A CA 0.725 52.872 52.037 0.183 0.000 0.635 229 A CB -0.454 18.630 19.000 0.140 0.000 0.810 229 A HN 0.205 nan 8.150 nan 0.000 0.445 230 L N -1.262 119.992 121.223 0.052 0.000 2.307 230 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 230 L C 2.316 179.172 176.870 -0.022 0.000 1.099 230 L CA 0.643 55.497 54.840 0.024 0.000 0.816 230 L CB -0.313 41.763 42.059 0.028 0.000 0.952 230 L HN 0.277 nan 8.230 nan 0.000 0.455 231 K N 0.580 120.955 120.400 -0.042 0.000 2.032 231 K HA -0.213 4.107 4.320 -0.000 0.000 0.218 231 K C -0.470 176.062 176.600 -0.113 0.000 1.054 231 K CA 2.181 58.428 56.287 -0.067 0.000 0.941 231 K CB -1.296 31.163 32.500 -0.068 0.000 0.720 231 K HN 0.287 nan 8.250 nan 0.000 0.449 232 P HA -0.175 nan 4.420 nan 0.000 0.216 232 P C 1.407 178.620 177.300 -0.144 0.000 1.150 232 P CA 1.480 64.417 63.100 -0.271 0.000 0.837 232 P CB -0.063 31.246 31.700 -0.652 0.000 0.786 233 L N -0.612 120.559 121.223 -0.087 0.000 2.046 233 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 233 L C 2.853 179.717 176.870 -0.011 0.000 1.077 233 L CA 1.646 56.481 54.840 -0.008 0.000 0.747 233 L CB -1.209 40.879 42.059 0.048 0.000 0.896 233 L HN -0.039 nan 8.230 nan 0.000 0.432 234 A N 0.130 122.938 122.820 -0.020 0.000 1.855 234 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 234 A C 2.081 179.652 177.584 -0.022 0.000 1.191 234 A CA 1.343 53.371 52.037 -0.014 0.000 0.613 234 A CB -0.488 18.504 19.000 -0.014 0.000 0.829 234 A HN 0.428 nan 8.150 nan 0.000 0.442 235 E N -0.619 119.559 120.200 -0.037 0.000 2.393 235 E HA -0.129 4.221 4.350 -0.000 0.000 0.201 235 E C 1.428 178.011 176.600 -0.028 0.000 1.025 235 E CA 1.377 57.755 56.400 -0.036 0.000 0.856 235 E CB -0.240 29.430 29.700 -0.050 0.000 0.771 235 E HN 0.607 nan 8.360 nan 0.000 0.526 236 T N -1.297 113.242 114.554 -0.026 0.000 3.037 236 T HA 0.154 4.504 4.350 -0.000 0.000 0.252 236 T C 1.228 175.922 174.700 -0.010 0.000 1.073 236 T CA 0.643 62.733 62.100 -0.016 0.000 1.091 236 T CB 0.714 69.574 68.868 -0.013 0.000 0.935 236 T HN 0.381 nan 8.240 nan 0.000 0.488 237 G N 1.232 110.027 108.800 -0.008 0.000 2.131 237 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.201 237 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.201 237 G C 0.678 175.579 174.900 0.001 0.000 1.000 237 G CA -0.028 45.070 45.100 -0.004 0.000 0.680 237 G HN 0.495 nan 8.290 nan 0.000 0.514 238 L N -0.081 121.146 121.223 0.006 0.000 2.492 238 L HA 0.440 4.780 4.340 -0.000 0.000 0.223 238 L C 1.341 178.224 176.870 0.021 0.000 1.132 238 L CA 0.856 55.706 54.840 0.016 0.000 0.850 238 L CB -0.145 41.931 42.059 0.028 0.000 0.966 238 L HN 0.560 nan 8.230 nan 0.000 0.454 239 L N -6.168 115.064 121.223 0.016 0.000 2.710 239 L HA 0.370 4.710 4.340 -0.000 0.000 0.260 239 L C 0.115 176.991 176.870 0.010 0.000 0.993 239 L CA -0.863 53.987 54.840 0.017 0.000 0.877 239 L CB 1.527 43.601 42.059 0.025 0.000 1.461 239 L HN -0.169 nan 8.230 nan 0.000 0.413 240 E N 1.159 121.364 120.200 0.009 0.000 2.038 240 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 240 E C 0.503 177.105 176.600 0.004 0.000 1.000 240 E CA 2.075 58.478 56.400 0.005 0.000 0.803 240 E CB 0.004 29.707 29.700 0.006 0.000 0.750 240 E HN 0.767 nan 8.360 nan 0.000 0.448 241 S N -1.122 114.582 115.700 0.007 0.000 2.651 241 S HA 0.264 4.733 4.470 -0.000 0.000 0.279 241 S C 0.214 174.820 174.600 0.009 0.000 1.148 241 S CA -0.393 57.810 58.200 0.005 0.000 0.837 241 S CB 1.730 64.933 63.200 0.005 0.000 1.138 241 S HN 0.054 nan 8.310 nan 0.000 0.478 242 S N -0.027 115.676 115.700 0.005 0.000 2.660 242 S HA 0.232 4.701 4.470 -0.000 0.000 0.227 242 S C 0.577 175.187 174.600 0.015 0.000 0.948 242 S CA -0.020 58.185 58.200 0.008 0.000 0.948 242 S CB -0.523 62.675 63.200 -0.003 0.000 0.779 242 S HN 0.882 nan 8.310 nan 0.000 0.487 243 S N 3.752 119.462 115.700 0.017 0.000 2.516 243 S HA 0.221 4.691 4.470 -0.000 0.000 0.282 243 S C -1.110 173.511 174.600 0.034 0.000 1.286 243 S CA -1.331 56.881 58.200 0.021 0.000 1.066 243 S CB 0.709 63.920 63.200 0.018 0.000 0.884 243 S HN 0.303 nan 8.310 nan 0.000 0.491 244 P HA -0.072 nan 4.420 nan 0.000 0.229 244 P C 0.265 177.595 177.300 0.049 0.000 1.150 244 P CA 0.777 63.901 63.100 0.040 0.000 0.765 244 P CB 0.133 31.841 31.700 0.013 0.000 0.783 245 D N 0.214 120.641 120.400 0.045 0.000 2.348 245 D HA 0.054 4.694 4.640 -0.000 0.000 0.211 245 D C 1.397 177.741 176.300 0.074 0.000 0.998 245 D CA -0.013 54.019 54.000 0.053 0.000 0.873 245 D CB 0.118 40.942 40.800 0.040 0.000 0.925 245 D HN 0.339 nan 8.370 nan 0.000 0.524 246 I N -0.071 120.542 120.570 0.073 0.000 3.045 246 I HA 0.104 4.274 4.170 -0.000 0.000 0.288 246 I C -2.324 173.851 176.117 0.097 0.000 1.238 246 I CA -1.302 60.039 61.300 0.069 0.000 1.396 246 I CB -0.484 37.545 38.000 0.049 0.000 1.355 246 I HN -0.329 nan 8.210 nan 0.000 0.601 247 P HA 0.113 nan 4.420 nan 0.000 0.271 247 P C 0.129 177.443 177.300 0.024 0.000 1.216 247 P CA -0.453 62.693 63.100 0.077 0.000 0.776 247 P CB 0.863 32.596 31.700 0.055 0.000 0.881 248 K N 3.208 123.606 120.400 -0.003 0.000 2.074 248 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 248 K C 1.807 178.332 176.600 -0.124 0.000 1.048 248 K CA 1.692 57.831 56.287 -0.247 0.000 0.926 248 K CB -0.139 32.237 32.500 -0.206 0.000 0.713 248 K HN 0.277 nan 8.250 nan 0.000 0.444 249 K N 0.955 121.336 120.400 -0.032 0.000 2.113 249 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 249 K C 1.954 178.554 176.600 0.000 0.000 1.047 249 K CA 2.065 58.349 56.287 -0.004 0.000 0.928 249 K CB -0.078 32.433 32.500 0.019 0.000 0.716 249 K HN 0.291 nan 8.250 nan 0.000 0.446 250 E N 0.268 120.467 120.200 -0.000 0.000 2.204 250 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 250 E C 1.809 178.419 176.600 0.016 0.000 0.989 250 E CA 1.150 57.557 56.400 0.011 0.000 0.824 250 E CB 0.154 29.864 29.700 0.016 0.000 0.756 250 E HN 0.349 nan 8.360 nan 0.000 0.477 251 V N -1.255 118.650 119.914 -0.014 0.000 2.535 251 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 251 V C 2.160 178.315 176.094 0.101 0.000 1.045 251 V CA 0.510 62.812 62.300 0.003 0.000 1.058 251 V CB -0.413 31.345 31.823 -0.108 0.000 0.689 251 V HN 0.161 nan 8.190 nan 0.000 0.461 252 L N 0.147 121.408 121.223 0.063 0.000 2.079 252 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 252 L C 2.878 179.822 176.870 0.124 0.000 1.081 252 L CA 1.828 56.754 54.840 0.143 0.000 0.752 252 L CB -1.659 40.435 42.059 0.058 0.000 0.896 252 L HN 0.392 nan 8.230 nan 0.000 0.433 253 R N 0.164 120.706 120.500 0.070 0.000 2.070 253 R HA -0.114 4.226 4.340 -0.000 0.000 0.233 253 R C 2.176 178.500 176.300 0.041 0.000 1.137 253 R CA 1.603 57.728 56.100 0.041 0.000 0.945 253 R CB -0.507 29.811 30.300 0.029 0.000 0.845 253 R HN 0.334 nan 8.270 nan 0.000 0.430 254 A N -0.093 122.773 122.820 0.077 0.000 1.986 254 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 254 A C 2.324 179.918 177.584 0.016 0.000 1.171 254 A CA 2.093 54.178 52.037 0.079 0.000 0.640 254 A CB -1.020 18.064 19.000 0.140 0.000 0.811 254 A HN 0.524 nan 8.150 nan 0.000 0.451 255 G N -0.142 108.632 108.800 -0.043 0.000 2.454 255 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.214 255 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.214 255 G C 1.582 176.314 174.900 -0.279 0.000 1.217 255 G CA 0.967 45.711 45.100 -0.593 0.000 0.799 255 G HN 0.770 nan 8.290 nan 0.000 0.538 256 Q N 0.030 119.752 119.800 -0.130 0.000 2.297 256 Q HA -0.010 4.330 4.340 -0.000 0.000 0.208 256 Q C 2.363 178.324 176.000 -0.065 0.000 0.981 256 Q CA 1.044 56.800 55.803 -0.078 0.000 0.876 256 Q CB -0.402 28.317 28.738 -0.032 0.000 0.921 256 Q HN 0.526 nan 8.270 nan 0.000 0.446 257 I N 0.825 121.360 120.570 -0.058 0.000 2.252 257 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 257 I C 2.285 178.368 176.117 -0.057 0.000 1.102 257 I CA 1.026 62.300 61.300 -0.043 0.000 1.385 257 I CB -0.143 37.842 38.000 -0.025 0.000 1.064 257 I HN 0.237 nan 8.210 nan 0.000 0.414 258 I N 0.700 121.225 120.570 -0.076 0.000 2.394 258 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 258 I C 1.949 178.017 176.117 -0.081 0.000 1.136 258 I CA 1.566 62.822 61.300 -0.074 0.000 1.425 258 I CB -0.565 37.386 38.000 -0.081 0.000 1.079 258 I HN 0.336 nan 8.210 nan 0.000 0.425 259 N N 0.672 119.320 118.700 -0.086 0.000 2.171 259 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 259 N C 1.559 177.031 175.510 -0.063 0.000 1.021 259 N CA 0.934 53.943 53.050 -0.068 0.000 0.854 259 N CB -0.034 38.415 38.487 -0.063 0.000 0.994 259 N HN 0.393 nan 8.380 nan 0.000 0.426 260 E N 0.717 120.882 120.200 -0.058 0.000 2.268 260 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 260 E C 1.250 177.810 176.600 -0.068 0.000 0.995 260 E CA 0.629 56.999 56.400 -0.051 0.000 0.836 260 E CB 0.115 29.792 29.700 -0.038 0.000 0.763 260 E HN 0.313 nan 8.360 nan 0.000 0.491 261 E N 0.109 120.257 120.200 -0.085 0.000 2.230 261 E HA -0.003 4.347 4.350 -0.000 0.000 0.192 261 E C 1.868 178.348 176.600 -0.199 0.000 0.987 261 E CA 0.658 56.992 56.400 -0.111 0.000 0.841 261 E CB 0.102 29.747 29.700 -0.093 0.000 0.783 261 E HN 0.379 nan 8.360 nan 0.000 0.481 262 M N -0.433 119.030 119.600 -0.229 0.000 2.388 262 M HA 0.092 4.572 4.480 -0.000 0.000 0.265 262 M C 2.161 178.302 176.300 -0.264 0.000 1.088 262 M CA 0.815 55.848 55.300 -0.445 0.000 1.134 262 M CB -0.011 32.447 32.600 -0.236 0.000 1.384 262 M HN -0.029 nan 8.290 nan 0.000 0.447 263 A N 0.837 123.587 122.820 -0.118 0.000 2.066 263 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 263 A C 2.048 179.603 177.584 -0.047 0.000 1.157 263 A CA 1.255 53.264 52.037 -0.048 0.000 0.670 263 A CB -0.335 18.646 19.000 -0.032 0.000 0.804 263 A HN 0.419 nan 8.150 nan 0.000 0.453 264 K N -1.744 118.607 120.400 -0.081 0.000 2.361 264 K HA 0.229 4.549 4.320 -0.000 0.000 0.196 264 K C 0.830 177.396 176.600 -0.057 0.000 1.039 264 K CA 0.535 56.787 56.287 -0.057 0.000 1.001 264 K CB 0.169 32.634 32.500 -0.058 0.000 0.795 264 K HN 0.616 nan 8.250 nan 0.000 0.495 265 G N 1.545 110.270 108.800 -0.124 0.000 2.173 265 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.174 265 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.174 265 G C -0.015 174.822 174.900 -0.105 0.000 1.025 265 G CA 0.067 45.129 45.100 -0.062 0.000 0.706 265 G HN 0.315 nan 8.290 nan 0.000 0.499 266 N N -0.615 117.899 118.700 -0.309 0.000 2.272 266 N HA 0.061 4.801 4.740 -0.000 0.000 0.195 266 N C 1.290 176.737 175.510 -0.104 0.000 1.048 266 N CA 0.417 53.366 53.050 -0.168 0.000 0.912 266 N CB 0.014 38.413 38.487 -0.148 0.000 1.096 266 N HN 0.423 nan 8.380 nan 0.000 0.471 267 H N -0.779 118.292 119.070 0.002 0.000 3.237 267 H HA -0.132 4.424 4.556 -0.000 0.000 0.231 267 H C -0.145 175.189 175.328 0.009 0.000 1.148 267 H CA 1.069 57.120 56.048 0.005 0.000 1.155 267 H CB -1.672 28.093 29.762 0.004 0.000 1.210 267 H HN 0.470 nan 8.280 nan 0.000 0.317 268 D N 0.935 121.374 120.400 0.064 0.000 2.144 268 D HA 0.053 4.693 4.640 -0.000 0.000 0.207 268 D C 1.878 178.206 176.300 0.046 0.000 0.970 268 D CA 0.722 54.753 54.000 0.052 0.000 0.853 268 D CB 0.008 40.824 40.800 0.027 0.000 1.007 268 D HN 0.328 nan 8.370 nan 0.000 0.469 269 L N 1.330 122.568 121.223 0.026 0.000 2.933 269 L HA 0.181 4.521 4.340 -0.000 0.000 0.258 269 L C 1.910 178.806 176.870 0.044 0.000 1.253 269 L CA -0.017 54.840 54.840 0.029 0.000 1.096 269 L CB -0.291 41.771 42.059 0.005 0.000 1.432 269 L HN 0.032 nan 8.230 nan 0.000 0.418 270 R N 0.768 121.307 120.500 0.065 0.000 2.066 270 R HA -0.049 4.291 4.340 -0.000 0.000 0.224 270 R C 2.205 178.553 176.300 0.081 0.000 1.122 270 R CA 1.154 57.300 56.100 0.078 0.000 0.974 270 R CB -0.202 30.161 30.300 0.105 0.000 0.871 270 R HN 0.412 nan 8.270 nan 0.000 0.435 271 G N 1.338 110.193 108.800 0.091 0.000 2.448 271 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 271 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 271 G C 1.425 176.436 174.900 0.185 0.000 1.127 271 G CA 0.409 45.578 45.100 0.114 0.000 0.766 271 G HN 0.240 nan 8.290 nan 0.000 0.552 272 L N -0.294 121.044 121.223 0.191 0.000 2.465 272 L HA 0.063 4.403 4.340 -0.000 0.000 0.224 272 L C 2.484 179.503 176.870 0.247 0.000 1.145 272 L CA -0.158 54.848 54.840 0.276 0.000 0.834 272 L CB -0.278 41.871 42.059 0.150 0.000 0.944 272 L HN 0.139 nan 8.230 nan 0.000 0.451 273 L N -0.124 121.185 121.223 0.143 0.000 2.265 273 L HA -0.182 4.157 4.340 -0.000 0.000 0.215 273 L C 2.217 179.162 176.870 0.124 0.000 1.117 273 L CA 1.348 56.254 54.840 0.110 0.000 0.782 273 L CB -0.527 41.562 42.059 0.050 0.000 0.914 273 L HN 0.203 nan 8.230 nan 0.000 0.441 274 L N -1.529 119.731 121.223 0.062 0.000 2.005 274 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 274 L C 2.246 179.062 176.870 -0.090 0.000 1.072 274 L CA 1.872 56.668 54.840 -0.073 0.000 0.744 274 L CB -0.894 41.017 42.059 -0.245 0.000 0.895 274 L HN 0.261 nan 8.230 nan 0.000 0.433 275 Y N -0.942 119.405 120.300 0.078 0.000 2.224 275 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 275 Y C 2.851 178.797 175.900 0.076 0.000 1.146 275 Y CA 1.919 60.059 58.100 0.066 0.000 1.182 275 Y CB -0.803 37.692 38.460 0.058 0.000 0.983 275 Y HN 0.432 nan 8.280 nan 0.000 0.524 276 H N 0.207 119.380 119.070 0.170 0.000 2.387 276 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 276 H C 2.114 177.486 175.328 0.073 0.000 1.090 276 H CA 1.391 57.501 56.048 0.104 0.000 1.332 276 H CB -0.024 29.784 29.762 0.077 0.000 1.386 276 H HN 0.368 nan 8.280 nan 0.000 0.516 277 A N 0.928 123.837 122.820 0.148 0.000 1.929 277 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 277 A C 2.731 180.331 177.584 0.026 0.000 1.176 277 A CA 1.255 53.343 52.037 0.086 0.000 0.628 277 A CB -0.559 18.500 19.000 0.097 0.000 0.816 277 A HN 0.430 nan 8.150 nan 0.000 0.444 278 M N -0.513 119.103 119.600 0.026 0.000 2.175 278 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 278 M C 2.535 178.857 176.300 0.037 0.000 1.063 278 M CA 1.268 56.585 55.300 0.028 0.000 1.119 278 M CB -0.426 32.185 32.600 0.019 0.000 1.377 278 M HN 0.479 nan 8.290 nan 0.000 0.415 279 A N 0.628 123.458 122.820 0.016 0.000 1.858 279 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 279 A C 2.010 179.597 177.584 0.005 0.000 1.190 279 A CA 1.454 53.495 52.037 0.007 0.000 0.617 279 A CB -0.881 18.093 19.000 -0.044 0.000 0.827 279 A HN 0.340 nan 8.150 nan 0.000 0.443 280 L N -0.068 121.096 121.223 -0.097 0.000 2.043 280 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 280 L C 2.424 179.354 176.870 0.099 0.000 1.075 280 L CA 2.135 56.945 54.840 -0.051 0.000 0.752 280 L CB -0.629 41.363 42.059 -0.111 0.000 0.891 280 L HN 0.393 nan 8.230 nan 0.000 0.432 281 K N -1.078 119.394 120.400 0.120 0.000 2.001 281 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 281 K C 2.091 178.839 176.600 0.248 0.000 1.048 281 K CA 1.092 57.522 56.287 0.237 0.000 0.932 281 K CB -0.300 32.321 32.500 0.203 0.000 0.715 281 K HN 0.221 nan 8.250 nan 0.000 0.437 282 L N 0.516 121.827 121.223 0.147 0.000 2.079 282 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 282 L C 2.759 179.677 176.870 0.080 0.000 1.081 282 L CA 1.152 56.049 54.840 0.096 0.000 0.752 282 L CB -0.566 41.524 42.059 0.052 0.000 0.896 282 L HN 0.394 nan 8.230 nan 0.000 0.433 283 H N -0.743 118.341 119.070 0.024 0.000 2.326 283 H HA -0.243 4.313 4.556 -0.000 0.000 0.301 283 H C 2.265 177.582 175.328 -0.018 0.000 1.081 283 H CA 2.258 58.306 56.048 0.000 0.000 1.334 283 H CB 0.047 29.809 29.762 0.000 0.000 1.385 283 H HN 0.403 nan 8.280 nan 0.000 0.504 284 H N 0.461 119.569 119.070 0.063 0.000 2.387 284 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 284 H C 2.214 177.399 175.328 -0.238 0.000 1.090 284 H CA 1.948 57.931 56.048 -0.109 0.000 1.332 284 H CB -0.231 29.395 29.762 -0.227 0.000 1.386 284 H HN 0.429 nan 8.280 nan 0.000 0.516 285 A N 1.116 123.856 122.820 -0.133 0.000 1.877 285 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 285 A C 2.388 179.856 177.584 -0.193 0.000 1.186 285 A CA 1.663 53.640 52.037 -0.101 0.000 0.620 285 A CB -0.616 18.443 19.000 0.098 0.000 0.822 285 A HN 0.479 nan 8.150 nan 0.000 0.443 286 I N -0.195 120.256 120.570 -0.198 0.000 2.163 286 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 286 I C 2.466 178.429 176.117 -0.257 0.000 1.085 286 I CA 2.001 63.165 61.300 -0.226 0.000 1.347 286 I CB -1.453 36.395 38.000 -0.254 0.000 1.044 286 I HN 0.580 nan 8.210 nan 0.000 0.408 287 E N 1.382 121.383 120.200 -0.332 0.000 2.097 287 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 287 E C 2.432 178.842 176.600 -0.317 0.000 1.000 287 E CA 1.245 57.455 56.400 -0.316 0.000 0.804 287 E CB -0.016 29.492 29.700 -0.321 0.000 0.740 287 E HN 0.454 nan 8.360 nan 0.000 0.454 288 L N 0.239 121.226 121.223 -0.394 0.000 2.056 288 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 288 L C 2.621 179.414 176.870 -0.129 0.000 1.078 288 L CA 0.423 55.088 54.840 -0.290 0.000 0.749 288 L CB -0.435 41.439 42.059 -0.307 0.000 0.901 288 L HN 0.277 nan 8.230 nan 0.000 0.433 289 L N 0.103 121.244 121.223 -0.136 0.000 2.042 289 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 289 L C 2.322 179.207 176.870 0.025 0.000 1.076 289 L CA 1.913 56.691 54.840 -0.103 0.000 0.749 289 L CB -0.462 41.451 42.059 -0.244 0.000 0.893 289 L HN 0.234 nan 8.230 nan 0.000 0.432 290 E N -1.689 118.518 120.200 0.012 0.000 2.076 290 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 290 E C 2.018 178.764 176.600 0.242 0.000 0.979 290 E CA 1.341 57.832 56.400 0.151 0.000 0.807 290 E CB -0.116 29.617 29.700 0.055 0.000 0.761 290 E HN 0.449 nan 8.360 nan 0.000 0.454 291 T N 0.396 114.970 114.554 0.034 0.000 2.812 291 T HA -0.102 4.248 4.350 -0.000 0.000 0.264 291 T C 1.629 176.352 174.700 0.038 0.000 1.042 291 T CA 1.288 63.334 62.100 -0.090 0.000 1.140 291 T CB 0.069 68.622 68.868 -0.525 0.000 0.870 291 T HN 0.089 nan 8.240 nan 0.000 0.445 292 Q N -1.323 118.528 119.800 0.086 0.000 2.580 292 Q HA 0.464 4.804 4.340 -0.000 0.000 0.239 292 Q C 0.780 176.970 176.000 0.318 0.000 0.873 292 Q CA 0.207 56.091 55.803 0.135 0.000 0.951 292 Q CB 1.463 30.216 28.738 0.024 0.000 1.172 292 Q HN 0.479 nan 8.270 nan 0.000 0.616 293 G N -0.677 108.303 108.800 0.299 0.000 2.361 293 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.331 293 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.331 293 G C -0.253 174.740 174.900 0.156 0.000 1.324 293 G CA -0.690 44.600 45.100 0.317 0.000 0.984 293 G HN 0.057 nan 8.290 nan 0.000 0.586 294 L N 0.322 121.636 121.223 0.151 0.000 2.042 294 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 294 L C 3.109 180.017 176.870 0.063 0.000 1.076 294 L CA 2.161 57.044 54.840 0.071 0.000 0.749 294 L CB -0.587 41.521 42.059 0.081 0.000 0.893 294 L HN 0.559 nan 8.230 nan 0.000 0.432 295 S N -0.250 115.497 115.700 0.078 0.000 2.382 295 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 295 S C 2.165 176.806 174.600 0.067 0.000 1.027 295 S CA 1.227 59.466 58.200 0.065 0.000 0.991 295 S CB -0.273 62.964 63.200 0.062 0.000 0.823 295 S HN 0.517 nan 8.310 nan 0.000 0.469 296 A N 1.038 123.898 122.820 0.068 0.000 1.929 296 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 296 A C 2.068 179.703 177.584 0.084 0.000 1.176 296 A CA 1.054 53.130 52.037 0.064 0.000 0.628 296 A CB -0.554 18.466 19.000 0.033 0.000 0.816 296 A HN 0.419 nan 8.150 nan 0.000 0.444 297 L N 0.021 121.281 121.223 0.062 0.000 1.994 297 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 297 L C 2.404 179.344 176.870 0.116 0.000 1.071 297 L CA 2.447 57.333 54.840 0.077 0.000 0.745 297 L CB -0.775 41.289 42.059 0.009 0.000 0.892 297 L HN 0.462 nan 8.230 nan 0.000 0.431 298 R N -0.478 120.067 120.500 0.075 0.000 2.112 298 R HA -0.256 4.084 4.340 -0.000 0.000 0.242 298 R C 2.154 178.510 176.300 0.093 0.000 1.137 298 R CA 1.931 58.072 56.100 0.067 0.000 0.944 298 R CB -0.595 29.735 30.300 0.049 0.000 0.857 298 R HN 0.561 nan 8.270 nan 0.000 0.435 299 A N -0.102 122.783 122.820 0.109 0.000 1.883 299 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 299 A C 2.072 179.759 177.584 0.172 0.000 1.186 299 A CA 1.611 53.722 52.037 0.123 0.000 0.624 299 A CB -0.990 18.081 19.000 0.119 0.000 0.822 299 A HN 0.648 nan 8.150 nan 0.000 0.444 300 Y N 0.293 120.644 120.300 0.085 0.000 2.163 300 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 300 Y C 2.054 178.034 175.900 0.133 0.000 1.136 300 Y CA 1.415 59.584 58.100 0.114 0.000 1.147 300 Y CB -0.317 38.223 38.460 0.134 0.000 0.987 300 Y HN 0.265 nan 8.280 nan 0.000 0.509 301 I N 0.440 121.047 120.570 0.063 0.000 2.264 301 I HA -0.361 3.809 4.170 -0.000 0.000 0.248 301 I C 2.614 178.817 176.117 0.143 0.000 1.111 301 I CA 1.841 63.157 61.300 0.026 0.000 1.382 301 I CB -0.443 37.590 38.000 0.055 0.000 1.060 301 I HN 0.238 nan 8.210 nan 0.000 0.418 302 K N 1.682 122.148 120.400 0.109 0.000 1.973 302 K HA -0.261 4.059 4.320 -0.000 0.000 0.212 302 K C 2.235 178.904 176.600 0.114 0.000 1.047 302 K CA 1.700 58.066 56.287 0.132 0.000 0.937 302 K CB -0.222 32.333 32.500 0.091 0.000 0.721 302 K HN 0.064 nan 8.250 nan 0.000 0.440 303 K N 0.494 120.922 120.400 0.047 0.000 2.286 303 K HA -0.164 4.156 4.320 -0.000 0.000 0.203 303 K C 2.007 178.583 176.600 -0.041 0.000 1.045 303 K CA 0.968 57.262 56.287 0.010 0.000 0.935 303 K CB -0.018 32.501 32.500 0.032 0.000 0.737 303 K HN 0.153 nan 8.250 nan 0.000 0.460 304 L N 0.063 121.239 121.223 -0.078 0.000 2.341 304 L HA -0.056 4.284 4.340 -0.000 0.000 0.214 304 L C 1.775 178.759 176.870 0.190 0.000 1.115 304 L CA 1.038 55.860 54.840 -0.031 0.000 0.820 304 L CB -0.336 41.613 42.059 -0.183 0.000 0.944 304 L HN 0.183 nan 8.230 nan 0.000 0.452 305 Y N -0.017 120.270 120.300 -0.022 0.000 2.395 305 Y HA -0.060 4.490 4.550 -0.000 0.000 0.293 305 Y C 2.169 177.892 175.900 -0.296 0.000 1.123 305 Y CA 1.044 58.881 58.100 -0.438 0.000 1.227 305 Y CB 0.163 38.392 38.460 -0.385 0.000 1.012 305 Y HN 0.247 nan 8.280 nan 0.000 0.552 306 E N 0.334 120.423 120.200 -0.185 0.000 2.152 306 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 306 E C 1.811 178.289 176.600 -0.204 0.000 0.983 306 E CA 1.192 57.457 56.400 -0.225 0.000 0.818 306 E CB -0.265 29.377 29.700 -0.097 0.000 0.758 306 E HN 0.658 nan 8.360 nan 0.000 0.467 307 E N 0.925 121.047 120.200 -0.130 0.000 2.204 307 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 307 E C 1.938 178.470 176.600 -0.113 0.000 0.989 307 E CA 0.858 57.206 56.400 -0.087 0.000 0.824 307 E CB -0.009 29.674 29.700 -0.029 0.000 0.756 307 E HN 0.203 nan 8.360 nan 0.000 0.477 308 A N 1.374 124.082 122.820 -0.187 0.000 1.898 308 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 308 A C 1.938 179.359 177.584 -0.271 0.000 1.183 308 A CA 1.090 53.006 52.037 -0.203 0.000 0.622 308 A CB -0.093 18.721 19.000 -0.311 0.000 0.824 308 A HN -0.011 nan 8.150 nan 0.000 0.444 309 K N -0.152 119.996 120.400 -0.421 0.000 2.103 309 K HA 0.059 4.379 4.320 -0.000 0.000 0.204 309 K C 2.044 178.516 176.600 -0.214 0.000 1.052 309 K CA 0.919 56.988 56.287 -0.364 0.000 0.945 309 K CB -0.248 31.957 32.500 -0.492 0.000 0.722 309 K HN 0.405 nan 8.250 nan 0.000 0.443 310 A N 0.522 123.234 122.820 -0.180 0.000 2.178 310 A HA -0.018 4.301 4.320 -0.000 0.000 0.218 310 A C 1.622 179.153 177.584 -0.089 0.000 1.157 310 A CA 1.309 53.277 52.037 -0.114 0.000 0.689 310 A CB -0.867 18.078 19.000 -0.092 0.000 0.787 310 A HN 0.462 nan 8.150 nan 0.000 0.465 311 G N -1.468 107.274 108.800 -0.098 0.000 2.166 311 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 311 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 311 G C 1.063 175.935 174.900 -0.047 0.000 0.986 311 G CA 1.070 46.129 45.100 -0.069 0.000 0.683 311 G HN 0.599 nan 8.290 nan 0.000 0.527 312 S N -0.590 115.083 115.700 -0.044 0.000 2.327 312 S HA 0.094 4.564 4.470 -0.000 0.000 0.213 312 S C 1.309 175.899 174.600 -0.017 0.000 1.032 312 S CA 1.286 59.469 58.200 -0.028 0.000 0.960 312 S CB -0.007 63.177 63.200 -0.026 0.000 0.900 312 S HN 0.558 nan 8.310 nan 0.000 0.469 313 T N 3.525 118.071 114.554 -0.013 0.000 2.752 313 T HA 0.156 4.506 4.350 -0.000 0.000 0.295 313 T C 0.987 175.689 174.700 0.004 0.000 0.923 313 T CA -0.211 61.891 62.100 0.002 0.000 1.112 313 T CB 0.894 69.771 68.868 0.015 0.000 0.884 313 T HN 0.015 nan 8.240 nan 0.000 0.525 314 K N 3.044 123.444 120.400 -0.001 0.000 2.155 314 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 314 K C 2.253 178.851 176.600 -0.004 0.000 1.052 314 K CA 1.068 57.350 56.287 -0.008 0.000 0.948 314 K CB -0.504 31.982 32.500 -0.022 0.000 0.728 314 K HN 0.654 nan 8.250 nan 0.000 0.448 315 A N 0.674 123.493 122.820 -0.001 0.000 1.865 315 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 315 A C 2.354 179.964 177.584 0.043 0.000 1.191 315 A CA 2.370 54.407 52.037 0.001 0.000 0.623 315 A CB -0.842 18.167 19.000 0.015 0.000 0.826 315 A HN 0.359 nan 8.150 nan 0.000 0.444 316 S N -0.090 115.656 115.700 0.078 0.000 2.370 316 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 316 S C 2.045 176.817 174.600 0.287 0.000 1.033 316 S CA 1.461 59.766 58.200 0.176 0.000 1.011 316 S CB -0.234 63.062 63.200 0.159 0.000 0.852 316 S HN 0.478 nan 8.310 nan 0.000 0.457 317 K N 1.189 121.684 120.400 0.157 0.000 1.991 317 K HA -0.107 4.213 4.320 -0.000 0.000 0.212 317 K C 2.199 178.898 176.600 0.165 0.000 1.049 317 K CA 1.433 57.808 56.287 0.146 0.000 0.932 317 K CB -0.714 31.817 32.500 0.052 0.000 0.717 317 K HN 0.246 nan 8.250 nan 0.000 0.441 318 E N 0.931 121.180 120.200 0.080 0.000 2.070 318 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 318 E C 1.993 178.621 176.600 0.045 0.000 1.004 318 E CA 1.153 57.578 56.400 0.042 0.000 0.805 318 E CB -0.261 29.427 29.700 -0.020 0.000 0.744 318 E HN 0.275 nan 8.360 nan 0.000 0.451 319 I N -0.556 120.031 120.570 0.028 0.000 2.264 319 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 319 I C 1.579 177.601 176.117 -0.158 0.000 1.111 319 I CA 0.926 62.174 61.300 -0.086 0.000 1.382 319 I CB -0.195 37.703 38.000 -0.170 0.000 1.060 319 I HN 0.111 nan 8.210 nan 0.000 0.418 320 F N 0.610 120.577 119.950 0.028 0.000 2.367 320 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 320 F C 2.686 178.503 175.800 0.028 0.000 1.094 320 F CA 1.013 59.036 58.000 0.037 0.000 1.409 320 F CB -0.378 38.677 39.000 0.091 0.000 1.064 320 F HN 0.047 nan 8.300 nan 0.000 0.528 321 S N -1.667 114.141 115.700 0.180 0.000 2.555 321 S HA -0.091 4.379 4.470 -0.000 0.000 0.230 321 S C 0.568 175.204 174.600 0.061 0.000 0.978 321 S CA 0.020 58.285 58.200 0.109 0.000 0.934 321 S CB -0.466 62.785 63.200 0.085 0.000 0.766 321 S HN 0.188 nan 8.310 nan 0.000 0.533 322 D N 2.768 123.189 120.400 0.035 0.000 2.312 322 D HA 0.105 4.745 4.640 -0.000 0.000 0.252 322 D C 1.202 177.503 176.300 0.003 0.000 1.150 322 D CA -0.223 53.782 54.000 0.008 0.000 0.870 322 D CB 1.184 41.973 40.800 -0.018 0.000 1.153 322 D HN 0.435 nan 8.370 nan 0.000 0.457 323 K N 3.569 123.973 120.400 0.007 0.000 2.152 323 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 323 K C 1.651 178.244 176.600 -0.010 0.000 1.048 323 K CA 0.790 57.079 56.287 0.004 0.000 0.933 323 K CB 0.127 32.630 32.500 0.006 0.000 0.721 323 K HN 0.195 nan 8.250 nan 0.000 0.447 324 R N 0.329 120.817 120.500 -0.019 0.000 2.073 324 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 324 R C 2.415 178.684 176.300 -0.052 0.000 1.134 324 R CA 1.888 57.969 56.100 -0.032 0.000 0.952 324 R CB -0.365 29.916 30.300 -0.032 0.000 0.850 324 R HN 0.235 nan 8.270 nan 0.000 0.433 325 M N 0.994 120.549 119.600 -0.074 0.000 2.202 325 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 325 M C 1.264 177.514 176.300 -0.083 0.000 1.063 325 M CA 1.725 56.951 55.300 -0.125 0.000 1.097 325 M CB 0.000 32.464 32.600 -0.228 0.000 1.382 325 M HN -0.136 nan 8.290 nan 0.000 0.413 326 K N 0.404 120.781 120.400 -0.038 0.000 1.985 326 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 326 K C 2.103 178.690 176.600 -0.022 0.000 1.047 326 K CA 1.852 58.133 56.287 -0.011 0.000 0.932 326 K CB -0.954 31.550 32.500 0.007 0.000 0.716 326 K HN 0.493 nan 8.250 nan 0.000 0.439 327 K N 0.810 121.196 120.400 -0.023 0.000 2.152 327 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 327 K C 2.005 178.586 176.600 -0.032 0.000 1.048 327 K CA 1.306 57.579 56.287 -0.023 0.000 0.933 327 K CB -0.087 32.401 32.500 -0.021 0.000 0.721 327 K HN 0.143 nan 8.250 nan 0.000 0.447 328 A N 1.264 124.057 122.820 -0.045 0.000 1.877 328 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 328 A C 2.059 179.615 177.584 -0.047 0.000 1.186 328 A CA 1.488 53.492 52.037 -0.056 0.000 0.620 328 A CB -0.541 18.413 19.000 -0.076 0.000 0.822 328 A HN 0.352 nan 8.150 nan 0.000 0.443 329 I N 0.807 121.350 120.570 -0.044 0.000 2.361 329 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 329 I C 2.855 178.956 176.117 -0.027 0.000 1.133 329 I CA 1.581 62.861 61.300 -0.033 0.000 1.413 329 I CB -0.266 37.718 38.000 -0.027 0.000 1.073 329 I HN 0.551 nan 8.210 nan 0.000 0.424 330 S N 1.230 116.916 115.700 -0.024 0.000 2.371 330 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 330 S C 1.982 176.573 174.600 -0.014 0.000 1.029 330 S CA 0.682 58.871 58.200 -0.018 0.000 0.978 330 S CB -0.692 62.499 63.200 -0.014 0.000 0.833 330 S HN 0.409 nan 8.310 nan 0.000 0.466 331 L N 0.230 121.443 121.223 -0.018 0.000 2.141 331 L HA 0.063 4.402 4.340 -0.000 0.000 0.209 331 L C 2.533 179.396 176.870 -0.010 0.000 1.094 331 L CA 0.534 55.366 54.840 -0.014 0.000 0.763 331 L CB -0.523 41.524 42.059 -0.021 0.000 0.908 331 L HN 0.297 nan 8.230 nan 0.000 0.437 332 L N -0.889 120.324 121.223 -0.016 0.000 2.191 332 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 332 L C 2.215 179.085 176.870 0.001 0.000 1.103 332 L CA 1.346 56.180 54.840 -0.010 0.000 0.769 332 L CB -0.269 41.781 42.059 -0.015 0.000 0.908 332 L HN 0.017 nan 8.230 nan 0.000 0.438 333 V N -1.257 118.655 119.914 -0.003 0.000 2.500 333 V HA -0.217 3.903 4.120 -0.000 0.000 0.243 333 V C 2.372 178.469 176.094 0.005 0.000 1.039 333 V CA 1.493 63.793 62.300 0.000 0.000 1.053 333 V CB 0.114 31.933 31.823 -0.006 0.000 0.695 333 V HN 0.612 nan 8.190 nan 0.000 0.463 334 Q N -0.425 119.377 119.800 0.003 0.000 2.308 334 Q HA -0.207 4.133 4.340 -0.000 0.000 0.209 334 Q C 2.029 178.037 176.000 0.013 0.000 0.985 334 Q CA 1.850 57.657 55.803 0.006 0.000 0.881 334 Q CB -0.178 28.563 28.738 0.004 0.000 0.917 334 Q HN 0.767 nan 8.270 nan 0.000 0.443 335 A N 0.803 123.632 122.820 0.016 0.000 1.855 335 A HA -0.146 4.174 4.320 -0.000 0.000 0.213 335 A C 1.949 179.550 177.584 0.028 0.000 1.195 335 A CA 1.319 53.372 52.037 0.027 0.000 0.610 335 A CB -0.441 18.580 19.000 0.034 0.000 0.837 335 A HN 0.292 nan 8.150 nan 0.000 0.444 336 K N -0.098 120.316 120.400 0.024 0.000 2.152 336 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 336 K C 1.963 178.574 176.600 0.019 0.000 1.048 336 K CA 1.675 57.977 56.287 0.024 0.000 0.933 336 K CB -0.135 32.377 32.500 0.020 0.000 0.721 336 K HN 0.641 nan 8.250 nan 0.000 0.447 337 E N 0.688 120.898 120.200 0.016 0.000 2.118 337 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 337 E C 1.619 178.228 176.600 0.015 0.000 0.992 337 E CA 1.620 58.028 56.400 0.013 0.000 0.804 337 E CB -0.093 29.613 29.700 0.011 0.000 0.741 337 E HN 0.604 nan 8.360 nan 0.000 0.458 338 I N -4.140 116.440 120.570 0.018 0.000 3.941 338 I HA 0.433 4.603 4.170 -0.000 0.000 0.335 338 I C 0.905 177.036 176.117 0.022 0.000 1.402 338 I CA 0.273 61.584 61.300 0.019 0.000 1.112 338 I CB 0.603 38.615 38.000 0.019 0.000 1.043 338 I HN 0.117 nan 8.210 nan 0.000 0.395 339 G N 2.699 111.514 108.800 0.025 0.000 2.273 339 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.280 339 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.280 339 G C -0.356 174.566 174.900 0.037 0.000 1.047 339 G CA 0.425 45.542 45.100 0.029 0.000 0.869 339 G HN 0.477 nan 8.290 nan 0.000 0.502 340 L N 0.031 121.281 121.223 0.044 0.000 2.255 340 L HA 0.761 5.101 4.340 -0.000 0.000 0.289 340 L C 0.567 177.486 176.870 0.082 0.000 1.046 340 L CA -0.062 54.813 54.840 0.058 0.000 0.816 340 L CB 1.476 43.569 42.059 0.057 0.000 1.197 340 L HN 0.121 nan 8.230 nan 0.000 0.427 341 D N 2.375 122.834 120.400 0.099 0.000 2.716 341 D HA 0.105 4.745 4.640 -0.000 0.000 0.273 341 D C -0.524 175.900 176.300 0.208 0.000 1.024 341 D CA 0.659 54.741 54.000 0.138 0.000 0.944 341 D CB 0.413 41.285 40.800 0.119 0.000 1.186 341 D HN 0.722 nan 8.370 nan 0.000 0.485 342 H N -1.493 117.607 119.070 0.051 0.000 3.137 342 H HA 0.242 4.798 4.556 -0.000 0.000 0.336 342 H C -2.232 173.032 175.328 -0.107 0.000 1.055 342 H CA -1.076 54.950 56.048 -0.037 0.000 1.349 342 H CB 2.241 32.049 29.762 0.077 0.000 1.939 342 H HN -0.246 nan 8.280 nan 0.000 0.487 343 P HA -0.177 nan 4.420 nan 0.000 0.217 343 P C 0.914 178.244 177.300 0.050 0.000 1.148 343 P CA 1.364 64.431 63.100 -0.055 0.000 0.828 343 P CB 0.289 31.850 31.700 -0.231 0.000 0.783 344 K N -1.473 119.023 120.400 0.160 0.000 2.097 344 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 344 K C 2.075 178.729 176.600 0.090 0.000 1.050 344 K CA 1.123 57.364 56.287 -0.076 0.000 0.938 344 K CB -0.402 31.714 32.500 -0.639 0.000 0.718 344 K HN 0.068 nan 8.250 nan 0.000 0.442 345 M N 1.483 121.205 119.600 0.202 0.000 2.108 345 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 345 M C 1.333 177.692 176.300 0.098 0.000 1.066 345 M CA 1.693 57.103 55.300 0.183 0.000 1.107 345 M CB -0.749 31.927 32.600 0.127 0.000 1.356 345 M HN 0.102 nan 8.290 nan 0.000 0.406 346 D N -0.282 120.161 120.400 0.072 0.000 2.117 346 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 346 D C 1.982 178.301 176.300 0.032 0.000 0.987 346 D CA 1.201 55.225 54.000 0.040 0.000 0.829 346 D CB -0.221 40.594 40.800 0.026 0.000 0.961 346 D HN 0.170 nan 8.370 nan 0.000 0.460 347 K N 0.742 121.159 120.400 0.028 0.000 2.057 347 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 347 K C 1.978 178.594 176.600 0.028 0.000 1.050 347 K CA 0.387 56.684 56.287 0.016 0.000 0.935 347 K CB -0.609 31.889 32.500 -0.004 0.000 0.715 347 K HN 0.022 nan 8.250 nan 0.000 0.439 348 L N 1.284 122.542 121.223 0.058 0.000 2.012 348 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 348 L C 1.726 178.618 176.870 0.035 0.000 1.073 348 L CA 1.949 56.831 54.840 0.071 0.000 0.748 348 L CB -0.534 41.616 42.059 0.152 0.000 0.891 348 L HN 0.118 nan 8.230 nan 0.000 0.431 349 K N -0.552 119.867 120.400 0.031 0.000 2.032 349 K HA -0.264 4.056 4.320 -0.000 0.000 0.209 349 K C 2.085 178.691 176.600 0.010 0.000 1.048 349 K CA 1.892 58.187 56.287 0.014 0.000 0.927 349 K CB -0.306 32.202 32.500 0.013 0.000 0.712 349 K HN 0.533 nan 8.250 nan 0.000 0.441 350 E N 1.375 121.583 120.200 0.013 0.000 2.049 350 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 350 E C 2.090 178.694 176.600 0.007 0.000 1.007 350 E CA 1.807 58.212 56.400 0.009 0.000 0.809 350 E CB -0.194 29.511 29.700 0.009 0.000 0.749 350 E HN 0.461 nan 8.360 nan 0.000 0.450 351 I N -1.337 119.237 120.570 0.007 0.000 2.252 351 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 351 I C 2.330 178.447 176.117 0.001 0.000 1.102 351 I CA 1.117 62.420 61.300 0.004 0.000 1.385 351 I CB -0.330 37.673 38.000 0.004 0.000 1.064 351 I HN 0.088 nan 8.210 nan 0.000 0.414 352 I N 0.721 121.291 120.570 0.001 0.000 2.361 352 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 352 I C 2.790 178.906 176.117 -0.001 0.000 1.133 352 I CA 1.091 62.389 61.300 -0.003 0.000 1.413 352 I CB -0.342 37.653 38.000 -0.008 0.000 1.073 352 I HN 0.255 nan 8.210 nan 0.000 0.424 353 R N 1.459 121.960 120.500 0.001 0.000 2.082 353 R HA -0.230 4.110 4.340 -0.000 0.000 0.228 353 R C 2.138 178.438 176.300 0.001 0.000 1.140 353 R CA 2.026 58.126 56.100 0.001 0.000 0.920 353 R CB -0.690 29.611 30.300 0.002 0.000 0.828 353 R HN 0.441 nan 8.270 nan 0.000 0.430 354 E N 0.143 120.344 120.200 0.001 0.000 2.273 354 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 354 E C 1.695 178.294 176.600 -0.002 0.000 1.002 354 E CA 1.359 57.759 56.400 -0.000 0.000 0.828 354 E CB -0.204 29.496 29.700 0.001 0.000 0.747 354 E HN 0.227 nan 8.360 nan 0.000 0.491 355 Q N 0.378 120.176 119.800 -0.002 0.000 2.033 355 Q HA 0.060 4.400 4.340 -0.000 0.000 0.196 355 Q C 2.315 178.313 176.000 -0.004 0.000 0.970 355 Q CA 1.321 57.121 55.803 -0.004 0.000 0.828 355 Q CB -0.274 28.461 28.738 -0.005 0.000 0.895 355 Q HN 0.469 nan 8.270 nan 0.000 0.440 356 L N 0.965 122.188 121.223 -0.001 0.000 2.265 356 L HA -0.182 4.157 4.340 -0.000 0.000 0.215 356 L C 2.624 179.493 176.870 -0.002 0.000 1.117 356 L CA 0.960 55.800 54.840 0.000 0.000 0.782 356 L CB -0.307 41.755 42.059 0.005 0.000 0.914 356 L HN 0.301 nan 8.230 nan 0.000 0.441 357 Q N 0.580 120.379 119.800 -0.002 0.000 2.083 357 Q HA -0.143 4.196 4.340 -0.000 0.000 0.198 357 Q C 2.176 178.173 176.000 -0.005 0.000 0.969 357 Q CA 1.230 57.032 55.803 -0.002 0.000 0.838 357 Q CB 0.156 28.894 28.738 -0.001 0.000 0.900 357 Q HN 0.492 nan 8.270 nan 0.000 0.436 358 R N 0.290 120.787 120.500 -0.006 0.000 2.236 358 R HA 0.052 4.392 4.340 -0.000 0.000 0.208 358 R C 0.632 176.925 176.300 -0.011 0.000 1.036 358 R CA 0.565 56.661 56.100 -0.008 0.000 1.001 358 R CB 0.206 30.501 30.300 -0.008 0.000 0.896 358 R HN -0.071 nan 8.270 nan 0.000 0.464 359 K N 1.072 121.465 120.400 -0.011 0.000 2.713 359 K HA 0.000 4.320 4.320 -0.000 0.000 0.304 359 K C 0.264 176.856 176.600 -0.013 0.000 1.240 359 K CA -0.130 56.148 56.287 -0.015 0.000 1.080 359 K CB 0.768 33.255 32.500 -0.020 0.000 1.387 359 K HN -0.006 nan 8.250 nan 0.000 0.527 360 Q N 1.141 120.935 119.800 -0.010 0.000 2.500 360 Q HA -0.131 4.209 4.340 -0.000 0.000 0.213 360 Q C 0.553 176.547 176.000 -0.009 0.000 0.974 360 Q CA 1.380 57.180 55.803 -0.006 0.000 0.918 360 Q CB -0.122 28.614 28.738 -0.004 0.000 0.980 360 Q HN 0.459 nan 8.270 nan 0.000 0.505 361 N N 0.487 119.175 118.700 -0.020 0.000 2.398 361 N HA 0.031 4.771 4.740 -0.000 0.000 0.188 361 N C -0.530 174.955 175.510 -0.042 0.000 1.122 361 N CA 0.008 53.038 53.050 -0.033 0.000 0.866 361 N CB 0.293 38.755 38.487 -0.041 0.000 0.970 361 N HN 0.101 nan 8.380 nan 0.000 0.462 362 S N 0.739 116.423 115.700 -0.026 0.000 2.558 362 S HA 0.023 4.493 4.470 -0.000 0.000 0.291 362 S C -0.134 174.463 174.600 -0.006 0.000 1.306 362 S CA 0.384 58.570 58.200 -0.024 0.000 1.056 362 S CB 0.345 63.541 63.200 -0.008 0.000 0.836 362 S HN 0.208 nan 8.310 nan 0.000 0.504 363 K N 2.269 122.654 120.400 -0.024 0.000 2.483 363 K HA 0.527 4.847 4.320 -0.000 0.000 0.256 363 K C -0.652 176.024 176.600 0.125 0.000 0.961 363 K CA -0.485 55.818 56.287 0.028 0.000 0.873 363 K CB 1.023 33.330 32.500 -0.321 0.000 1.107 363 K HN 0.530 nan 8.250 nan 0.000 0.432 364 I N 0.337 121.045 120.570 0.231 0.000 2.689 364 I HA 0.575 4.745 4.170 -0.000 0.000 0.299 364 I C -1.179 174.945 176.117 0.012 0.000 1.059 364 I CA -0.742 60.612 61.300 0.091 0.000 1.055 364 I CB 1.422 39.427 38.000 0.009 0.000 1.243 364 I HN 0.514 nan 8.210 nan 0.000 0.425 365 I N 5.909 126.405 120.570 -0.123 0.000 2.474 365 I HA 0.555 4.725 4.170 -0.000 0.000 0.294 365 I C -0.939 174.897 176.117 -0.468 0.000 1.005 365 I CA -1.149 59.926 61.300 -0.373 0.000 1.113 365 I CB 2.081 39.775 38.000 -0.510 0.000 1.289 365 I HN 0.360 nan 8.210 nan 0.000 0.436 366 V N 6.413 126.023 119.914 -0.506 0.000 2.448 366 V HA 0.433 4.553 4.120 -0.000 0.000 0.295 366 V C -0.533 175.285 176.094 -0.461 0.000 1.025 366 V CA -0.481 61.589 62.300 -0.384 0.000 0.859 366 V CB 1.578 33.270 31.823 -0.219 0.000 0.988 366 V HN 0.416 nan 8.190 nan 0.000 0.431 367 F N 2.468 122.242 119.950 -0.295 0.000 2.458 367 F HA 0.740 5.267 4.527 -0.000 0.000 0.330 367 F C 0.497 176.273 175.800 -0.039 0.000 1.082 367 F CA -0.290 57.580 58.000 -0.217 0.000 0.995 367 F CB 2.318 41.079 39.000 -0.398 0.000 1.170 367 F HN 0.466 nan 8.300 nan 0.000 0.478 368 T N 0.906 115.602 114.554 0.238 0.000 2.932 368 T HA 0.238 4.588 4.350 -0.000 0.000 0.318 368 T C -0.042 174.658 174.700 0.001 0.000 1.265 368 T CA -0.662 61.526 62.100 0.146 0.000 1.036 368 T CB 1.237 70.165 68.868 0.100 0.000 1.209 368 T HN 0.607 nan 8.240 nan 0.000 0.484 369 N N 0.730 119.279 118.700 -0.250 0.000 2.354 369 N HA 0.140 4.879 4.740 -0.000 0.000 0.179 369 N C -0.550 174.575 175.510 -0.642 0.000 1.021 369 N CA 0.844 53.547 53.050 -0.579 0.000 0.887 369 N CB 0.053 37.937 38.487 -1.004 0.000 0.974 369 N HN 0.538 nan 8.380 nan 0.000 0.437 370 Y N -0.395 119.944 120.300 0.064 0.000 2.387 370 Y HA 0.429 4.978 4.550 -0.000 0.000 0.336 370 Y C 1.120 177.035 175.900 0.024 0.000 1.067 370 Y CA -1.094 57.032 58.100 0.044 0.000 1.114 370 Y CB 1.128 39.613 38.460 0.041 0.000 1.208 370 Y HN -0.280 nan 8.280 nan 0.000 0.458 371 R N 0.530 121.117 120.500 0.146 0.000 2.081 371 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 371 R C 1.395 177.732 176.300 0.061 0.000 1.131 371 R CA 1.351 57.497 56.100 0.076 0.000 0.960 371 R CB 0.055 30.388 30.300 0.056 0.000 0.856 371 R HN 0.739 nan 8.270 nan 0.000 0.436 372 E N 0.260 120.513 120.200 0.088 0.000 2.038 372 E HA -0.138 4.211 4.350 -0.000 0.000 0.195 372 E C 2.068 178.681 176.600 0.021 0.000 1.000 372 E CA 1.698 58.126 56.400 0.047 0.000 0.803 372 E CB -0.447 29.280 29.700 0.045 0.000 0.750 372 E HN 0.286 nan 8.360 nan 0.000 0.448 373 T N 1.402 115.991 114.554 0.058 0.000 2.759 373 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 373 T C 1.922 176.553 174.700 -0.114 0.000 1.042 373 T CA 1.510 63.598 62.100 -0.021 0.000 1.140 373 T CB -0.252 68.673 68.868 0.094 0.000 0.864 373 T HN 0.285 nan 8.240 nan 0.000 0.455 374 A N 1.668 124.457 122.820 -0.052 0.000 1.877 374 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 374 A C 2.250 179.771 177.584 -0.105 0.000 1.186 374 A CA 1.975 53.958 52.037 -0.089 0.000 0.620 374 A CB -0.575 18.404 19.000 -0.034 0.000 0.822 374 A HN 0.471 nan 8.150 nan 0.000 0.443 375 K N -0.172 120.187 120.400 -0.069 0.000 2.032 375 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 375 K C 2.217 178.767 176.600 -0.082 0.000 1.048 375 K CA 1.937 58.183 56.287 -0.068 0.000 0.927 375 K CB -0.202 32.274 32.500 -0.040 0.000 0.712 375 K HN 0.453 nan 8.250 nan 0.000 0.441 376 K N 0.674 121.025 120.400 -0.082 0.000 2.097 376 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 376 K C 1.985 178.508 176.600 -0.127 0.000 1.049 376 K CA 1.379 57.615 56.287 -0.085 0.000 0.933 376 K CB -0.063 32.395 32.500 -0.070 0.000 0.717 376 K HN 0.175 nan 8.250 nan 0.000 0.442 377 I N 0.555 121.009 120.570 -0.194 0.000 2.202 377 I HA -0.259 3.910 4.170 -0.000 0.000 0.242 377 I C 2.148 178.169 176.117 -0.160 0.000 1.091 377 I CA 0.836 61.999 61.300 -0.230 0.000 1.368 377 I CB -0.175 37.619 38.000 -0.343 0.000 1.058 377 I HN -0.011 nan 8.210 nan 0.000 0.410 378 V N 1.378 121.202 119.914 -0.150 0.000 2.252 378 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 378 V C 2.202 178.230 176.094 -0.110 0.000 1.056 378 V CA 2.142 64.359 62.300 -0.139 0.000 1.022 378 V CB -1.010 30.727 31.823 -0.144 0.000 0.641 378 V HN 0.460 nan 8.190 nan 0.000 0.445 379 N N 0.123 118.768 118.700 -0.093 0.000 2.043 379 N HA -0.215 4.525 4.740 -0.000 0.000 0.193 379 N C 1.949 177.424 175.510 -0.058 0.000 1.037 379 N CA 1.739 54.748 53.050 -0.069 0.000 0.851 379 N CB -0.449 38.005 38.487 -0.054 0.000 1.027 379 N HN 0.532 nan 8.380 nan 0.000 0.422 380 E N 0.852 121.016 120.200 -0.061 0.000 2.209 380 E HA -0.034 4.315 4.350 -0.000 0.000 0.196 380 E C 1.995 178.569 176.600 -0.044 0.000 0.993 380 E CA 0.647 57.020 56.400 -0.045 0.000 0.819 380 E CB -0.179 29.493 29.700 -0.048 0.000 0.745 380 E HN 0.350 nan 8.360 nan 0.000 0.477 381 L N -1.194 119.992 121.223 -0.061 0.000 2.162 381 L HA -0.023 4.316 4.340 -0.000 0.000 0.205 381 L C 2.333 179.176 176.870 -0.046 0.000 1.086 381 L CA 0.498 55.306 54.840 -0.054 0.000 0.778 381 L CB -0.217 41.799 42.059 -0.072 0.000 0.928 381 L HN 0.081 nan 8.230 nan 0.000 0.446 382 V N 0.341 120.222 119.914 -0.056 0.000 2.667 382 V HA -0.249 3.871 4.120 -0.000 0.000 0.252 382 V C 2.543 178.617 176.094 -0.033 0.000 1.065 382 V CA 1.683 63.955 62.300 -0.048 0.000 1.083 382 V CB -0.215 31.571 31.823 -0.062 0.000 0.692 382 V HN 0.429 nan 8.190 nan 0.000 0.468 383 K N -0.249 120.132 120.400 -0.032 0.000 2.147 383 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 383 K C 1.266 177.857 176.600 -0.015 0.000 1.049 383 K CA 1.402 57.676 56.287 -0.021 0.000 0.936 383 K CB -0.151 32.337 32.500 -0.019 0.000 0.722 383 K HN 0.598 nan 8.250 nan 0.000 0.446 384 D N -1.140 119.250 120.400 -0.017 0.000 2.425 384 D HA 0.057 4.697 4.640 -0.000 0.000 0.274 384 D C 0.081 176.375 176.300 -0.010 0.000 1.242 384 D CA 0.094 54.088 54.000 -0.010 0.000 1.060 384 D CB 1.002 41.796 40.800 -0.010 0.000 1.112 384 D HN 0.224 nan 8.370 nan 0.000 0.561 385 G N 0.497 109.294 108.800 -0.006 0.000 3.639 385 G HA2 0.354 4.314 3.960 -0.000 0.000 0.279 385 G HA3 0.354 4.314 3.960 -0.000 0.000 0.279 385 G C 0.273 175.172 174.900 -0.001 0.000 1.312 385 G CA -0.117 44.981 45.100 -0.003 0.000 1.355 385 G HN 0.305 nan 8.290 nan 0.000 0.595 386 I N -0.284 120.283 120.570 -0.006 0.000 2.474 386 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 386 I C -0.099 176.017 176.117 -0.002 0.000 1.005 386 I CA -0.915 60.384 61.300 -0.002 0.000 1.113 386 I CB 2.397 40.392 38.000 -0.010 0.000 1.289 386 I HN -0.112 nan 8.210 nan 0.000 0.436 387 K N 5.505 125.920 120.400 0.024 0.000 2.171 387 K HA 0.545 4.865 4.320 -0.000 0.000 0.274 387 K C -0.450 176.172 176.600 0.038 0.000 1.110 387 K CA -0.188 56.126 56.287 0.045 0.000 0.952 387 K CB 0.657 33.223 32.500 0.110 0.000 1.309 387 K HN 0.673 nan 8.250 nan 0.000 0.414 388 A N 3.332 126.109 122.820 -0.072 0.000 2.355 388 A HA 0.590 4.910 4.320 -0.000 0.000 0.324 388 A C -0.814 176.545 177.584 -0.374 0.000 1.117 388 A CA -0.720 51.216 52.037 -0.168 0.000 0.785 388 A CB 1.136 20.051 19.000 -0.141 0.000 1.254 388 A HN 0.589 nan 8.150 nan 0.000 0.453 389 K N 0.708 120.740 120.400 -0.614 0.000 2.535 389 K HA 0.447 4.767 4.320 -0.000 0.000 0.250 389 K C -0.548 175.768 176.600 -0.472 0.000 0.948 389 K CA -0.707 55.132 56.287 -0.746 0.000 0.796 389 K CB 1.617 33.167 32.500 -1.583 0.000 1.216 389 K HN 0.794 nan 8.250 nan 0.000 0.432 390 R N 2.859 123.185 120.500 -0.290 0.000 2.543 390 R HA 0.228 4.568 4.340 -0.000 0.000 0.277 390 R C -1.471 174.788 176.300 -0.069 0.000 1.074 390 R CA 0.338 56.343 56.100 -0.159 0.000 1.076 390 R CB 0.325 30.545 30.300 -0.133 0.000 0.993 390 R HN 0.543 nan 8.270 nan 0.000 0.459 391 F N 5.841 125.702 119.950 -0.149 0.000 2.771 391 F HA 0.446 4.973 4.527 -0.000 0.000 0.365 391 F C -1.501 174.272 175.800 -0.045 0.000 1.169 391 F CA -0.667 57.280 58.000 -0.088 0.000 1.093 391 F CB 1.127 40.076 39.000 -0.086 0.000 1.363 391 F HN 0.374 nan 8.300 nan 0.000 0.496 392 V N 3.919 123.656 119.914 -0.295 0.000 3.158 392 V HA 0.869 4.989 4.120 -0.000 0.000 0.315 392 V C -0.344 175.593 176.094 -0.261 0.000 1.148 392 V CA -0.547 61.665 62.300 -0.147 0.000 1.042 392 V CB 2.146 33.923 31.823 -0.076 0.000 1.101 392 V HN 0.726 nan 8.190 nan 0.000 0.448 393 G N 2.337 111.078 108.800 -0.097 0.000 2.800 393 G HA2 0.481 4.441 3.960 -0.000 0.000 0.340 393 G HA3 0.481 4.441 3.960 -0.000 0.000 0.340 393 G C -0.464 174.401 174.900 -0.058 0.000 1.089 393 G CA -0.431 44.621 45.100 -0.081 0.000 1.144 393 G HN 1.042 nan 8.290 nan 0.000 0.461 394 Q N 0.489 120.238 119.800 -0.085 0.000 3.953 394 Q HA 0.111 4.450 4.340 -0.000 0.000 0.399 394 Q C 0.747 176.732 176.000 -0.025 0.000 1.023 394 Q CA 1.017 56.788 55.803 -0.054 0.000 1.305 394 Q CB -0.333 28.372 28.738 -0.054 0.000 1.091 394 Q HN 0.686 nan 8.270 nan 0.000 0.491 395 A N 1.175 123.985 122.820 -0.017 0.000 1.996 395 A HA 0.296 4.616 4.320 -0.000 0.000 0.185 395 A C 1.133 178.717 177.584 -0.001 0.000 1.803 395 A CA 0.598 52.633 52.037 -0.003 0.000 1.335 395 A CB 0.417 19.421 19.000 0.006 0.000 1.486 395 A HN 0.519 nan 8.150 nan 0.000 0.408 396 S N -0.369 115.328 115.700 -0.005 0.000 3.385 396 S HA 0.390 4.860 4.470 -0.000 0.000 0.176 396 S C 0.118 174.711 174.600 -0.010 0.000 0.851 396 S CA -0.064 58.135 58.200 -0.002 0.000 1.039 396 S CB -0.072 63.131 63.200 0.006 0.000 1.241 396 S HN 0.282 nan 8.310 nan 0.000 0.859 406 R N -0.165 120.330 120.500 -0.009 0.000 2.287 406 R HA 0.212 4.552 4.340 -0.000 0.000 0.197 406 R C 1.120 177.429 176.300 0.015 0.000 0.900 406 R CA 0.675 56.782 56.100 0.012 0.000 1.052 406 R CB 0.445 30.753 30.300 0.014 0.000 1.117 406 R HN 0.195 nan 8.270 nan 0.000 0.568 407 E N 1.181 121.377 120.200 -0.007 0.000 2.204 407 E HA -0.187 4.162 4.350 -0.000 0.000 0.195 407 E C 1.709 178.317 176.600 0.013 0.000 0.990 407 E CA 1.052 57.452 56.400 -0.001 0.000 0.821 407 E CB 0.005 29.688 29.700 -0.029 0.000 0.750 407 E HN 0.279 nan 8.360 nan 0.000 0.477 408 Q N 0.593 120.378 119.800 -0.025 0.000 2.029 408 Q HA -0.279 4.061 4.340 -0.000 0.000 0.209 408 Q C 2.250 178.365 176.000 0.192 0.000 0.999 408 Q CA 1.864 57.667 55.803 0.001 0.000 0.857 408 Q CB -0.304 28.410 28.738 -0.041 0.000 0.926 408 Q HN 0.203 nan 8.270 nan 0.000 0.415 409 K N 0.843 121.328 120.400 0.142 0.000 2.103 409 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 409 K C 2.091 178.770 176.600 0.132 0.000 1.048 409 K CA 0.877 57.250 56.287 0.142 0.000 0.930 409 K CB -0.186 32.370 32.500 0.094 0.000 0.716 409 K HN 0.198 nan 8.250 nan 0.000 0.444 410 L N 1.171 122.458 121.223 0.107 0.000 1.976 410 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 410 L C 2.479 179.437 176.870 0.146 0.000 1.071 410 L CA 1.542 56.441 54.840 0.099 0.000 0.746 410 L CB -0.298 41.803 42.059 0.071 0.000 0.890 410 L HN 0.365 nan 8.230 nan 0.000 0.432 411 I N -0.819 119.863 120.570 0.186 0.000 2.286 411 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 411 I C 2.347 178.684 176.117 0.366 0.000 1.115 411 I CA 1.241 62.718 61.300 0.294 0.000 1.392 411 I CB 0.106 38.270 38.000 0.273 0.000 1.065 411 I HN 0.295 nan 8.210 nan 0.000 0.418 412 L N 1.260 122.681 121.223 0.330 0.000 2.046 412 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 412 L C 2.094 179.062 176.870 0.162 0.000 1.077 412 L CA 1.927 56.934 54.840 0.278 0.000 0.747 412 L CB -0.988 41.217 42.059 0.243 0.000 0.896 412 L HN 0.292 nan 8.230 nan 0.000 0.432 413 D N -0.638 119.833 120.400 0.118 0.000 2.144 413 D HA -0.185 4.454 4.640 -0.000 0.000 0.199 413 D C 1.977 178.284 176.300 0.012 0.000 0.984 413 D CA 1.193 55.220 54.000 0.045 0.000 0.834 413 D CB 0.119 40.946 40.800 0.046 0.000 0.955 413 D HN 0.525 nan 8.370 nan 0.000 0.465 414 E N 0.137 120.374 120.200 0.061 0.000 2.077 414 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 414 E C 2.033 178.520 176.600 -0.188 0.000 0.989 414 E CA 0.399 56.807 56.400 0.013 0.000 0.800 414 E CB -0.283 29.527 29.700 0.185 0.000 0.746 414 E HN 0.330 nan 8.360 nan 0.000 0.452 415 F N 1.367 121.013 119.950 -0.507 0.000 2.126 415 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 415 F C 2.322 177.865 175.800 -0.427 0.000 1.096 415 F CA 0.944 58.466 58.000 -0.796 0.000 1.255 415 F CB 0.048 38.739 39.000 -0.514 0.000 0.997 415 F HN 0.010 nan 8.300 nan 0.000 0.479 416 A N 0.593 123.232 122.820 -0.301 0.000 1.902 416 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 416 A C 2.061 179.483 177.584 -0.269 0.000 1.181 416 A CA 1.723 53.549 52.037 -0.353 0.000 0.623 416 A CB -0.700 18.173 19.000 -0.211 0.000 0.818 416 A HN 0.423 nan 8.150 nan 0.000 0.443 417 R N -1.820 118.572 120.500 -0.180 0.000 2.148 417 R HA 0.115 4.455 4.340 -0.000 0.000 0.227 417 R C 1.329 177.547 176.300 -0.137 0.000 1.103 417 R CA 1.017 57.039 56.100 -0.130 0.000 0.983 417 R CB -0.080 30.174 30.300 -0.077 0.000 0.874 417 R HN 0.782 nan 8.270 nan 0.000 0.451 418 G N -0.838 107.856 108.800 -0.176 0.000 2.183 418 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.168 418 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.168 418 G C 0.438 175.279 174.900 -0.098 0.000 1.008 418 G CA 0.159 45.173 45.100 -0.143 0.000 0.677 418 G HN 0.252 nan 8.290 nan 0.000 0.498 419 E N 0.150 120.283 120.200 -0.111 0.000 2.019 419 E HA 0.039 4.389 4.350 -0.000 0.000 0.208 419 E C 1.217 177.871 176.600 0.090 0.000 1.030 419 E CA 2.281 58.683 56.400 0.003 0.000 0.856 419 E CB -0.173 29.573 29.700 0.075 0.000 0.781 419 E HN 0.861 nan 8.360 nan 0.000 0.471 420 F N -1.994 118.003 119.950 0.078 0.000 2.557 420 F HA 0.529 5.055 4.527 -0.000 0.000 0.336 420 F C 0.988 176.852 175.800 0.106 0.000 1.058 420 F CA -1.035 56.995 58.000 0.050 0.000 0.988 420 F CB 0.679 39.676 39.000 -0.006 0.000 1.275 420 F HN -0.242 nan 8.300 nan 0.000 0.488 421 N N -0.118 118.745 118.700 0.272 0.000 2.415 421 N HA 0.099 4.839 4.740 -0.000 0.000 0.174 421 N C -0.483 175.155 175.510 0.213 0.000 1.048 421 N CA 0.649 53.815 53.050 0.193 0.000 0.895 421 N CB 0.975 39.526 38.487 0.107 0.000 1.036 421 N HN 0.302 nan 8.380 nan 0.000 0.449 422 V N 2.278 122.306 119.914 0.190 0.000 2.448 422 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 422 V C -0.637 175.381 176.094 -0.127 0.000 1.025 422 V CA -0.874 61.423 62.300 -0.005 0.000 0.859 422 V CB 2.277 34.069 31.823 -0.051 0.000 0.988 422 V HN 0.004 nan 8.190 nan 0.000 0.431 423 L N 6.752 127.713 121.223 -0.437 0.000 2.280 423 L HA 0.645 4.984 4.340 -0.000 0.000 0.287 423 L C -0.500 176.134 176.870 -0.393 0.000 1.023 423 L CA 0.124 54.669 54.840 -0.491 0.000 0.819 423 L CB 1.524 43.013 42.059 -0.949 0.000 1.212 423 L HN 0.457 nan 8.230 nan 0.000 0.420 424 V N 5.688 125.434 119.914 -0.280 0.000 2.328 424 V HA 0.891 5.011 4.120 -0.000 0.000 0.278 424 V C 0.240 176.249 176.094 -0.141 0.000 1.021 424 V CA -0.011 62.146 62.300 -0.238 0.000 0.838 424 V CB 0.625 32.329 31.823 -0.198 0.000 0.999 424 V HN 0.966 nan 8.190 nan 0.000 0.447 425 A N 3.573 126.305 122.820 -0.147 0.000 2.532 425 A HA 0.906 5.226 4.320 -0.000 0.000 0.290 425 A C -0.233 177.448 177.584 0.161 0.000 1.143 425 A CA -0.393 51.681 52.037 0.061 0.000 0.728 425 A CB 2.139 21.219 19.000 0.132 0.000 1.317 425 A HN 0.618 nan 8.150 nan 0.000 0.414 426 T N -1.093 113.591 114.554 0.217 0.000 2.888 426 T HA 0.399 4.749 4.350 -0.000 0.000 0.283 426 T C 1.585 176.436 174.700 0.251 0.000 1.013 426 T CA 0.538 62.752 62.100 0.189 0.000 0.938 426 T CB 0.572 69.500 68.868 0.099 0.000 1.298 426 T HN 0.708 nan 8.240 nan 0.000 0.580 427 S N 0.262 116.035 115.700 0.122 0.000 2.389 427 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 427 S C 2.062 176.739 174.600 0.130 0.000 1.052 427 S CA 1.620 59.856 58.200 0.060 0.000 1.053 427 S CB -0.965 62.241 63.200 0.009 0.000 0.886 427 S HN 0.591 nan 8.310 nan 0.000 0.456 428 V N 1.915 121.930 119.914 0.168 0.000 2.688 428 V HA -0.077 4.042 4.120 -0.000 0.000 0.256 428 V C 1.739 178.050 176.094 0.361 0.000 1.084 428 V CA 1.853 64.283 62.300 0.217 0.000 1.103 428 V CB -0.915 31.018 31.823 0.182 0.000 0.688 428 V HN 0.554 nan 8.190 nan 0.000 0.480 429 G N 0.157 109.209 108.800 0.421 0.000 3.379 429 G HA2 0.041 4.001 3.960 -0.000 0.000 0.253 429 G HA3 0.041 4.001 3.960 -0.000 0.000 0.253 429 G C 0.883 175.884 174.900 0.168 0.000 1.262 429 G CA 0.462 45.707 45.100 0.242 0.000 0.959 429 G HN 0.792 nan 8.290 nan 0.000 0.524 430 E N -0.359 119.988 120.200 0.246 0.000 2.478 430 E HA -0.045 4.305 4.350 -0.000 0.000 0.198 430 E C 1.673 178.356 176.600 0.139 0.000 1.046 430 E CA 0.644 57.184 56.400 0.233 0.000 0.870 430 E CB -0.011 29.740 29.700 0.084 0.000 0.818 430 E HN 0.478 nan 8.360 nan 0.000 0.527 431 E N 0.383 120.624 120.200 0.069 0.000 2.482 431 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 431 E C 1.674 178.270 176.600 -0.007 0.000 1.047 431 E CA 0.593 57.022 56.400 0.048 0.000 0.869 431 E CB -0.179 29.569 29.700 0.081 0.000 0.836 431 E HN 0.506 nan 8.360 nan 0.000 0.520 432 G N 0.586 109.332 108.800 -0.090 0.000 2.598 432 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 432 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 432 G C 1.364 176.275 174.900 0.018 0.000 1.131 432 G CA -0.022 45.028 45.100 -0.083 0.000 0.785 432 G HN 0.188 nan 8.290 nan 0.000 0.539 433 L N 0.101 121.365 121.223 0.069 0.000 2.465 433 L HA 0.083 4.423 4.340 -0.000 0.000 0.224 433 L C 1.517 178.435 176.870 0.079 0.000 1.145 433 L CA 0.376 55.272 54.840 0.093 0.000 0.834 433 L CB 0.082 42.234 42.059 0.154 0.000 0.944 433 L HN 0.026 nan 8.230 nan 0.000 0.451 434 D N -0.587 119.853 120.400 0.068 0.000 2.339 434 D HA 0.070 4.710 4.640 -0.000 0.000 0.217 434 D C 0.346 176.663 176.300 0.028 0.000 1.050 434 D CA 0.281 54.348 54.000 0.112 0.000 0.856 434 D CB 0.509 41.369 40.800 0.098 0.000 0.922 434 D HN -0.017 nan 8.370 nan 0.000 0.518 435 V N 2.514 122.362 119.914 -0.109 0.000 2.530 435 V HA 0.169 4.289 4.120 -0.000 0.000 0.282 435 V C -1.926 173.859 176.094 -0.514 0.000 1.048 435 V CA -1.464 60.675 62.300 -0.268 0.000 0.997 435 V CB 1.324 32.962 31.823 -0.308 0.000 0.987 435 V HN -0.070 nan 8.190 nan 0.000 0.477 436 P HA 0.022 nan 4.420 nan 0.000 0.269 436 P C 0.353 177.359 177.300 -0.489 0.000 1.217 436 P CA -0.067 62.516 63.100 -0.861 0.000 0.783 436 P CB 0.222 31.614 31.700 -0.513 0.000 0.898 437 E N 0.002 119.994 120.200 -0.347 0.000 2.165 437 E HA -0.221 4.129 4.350 -0.000 0.000 0.203 437 E C -0.589 175.876 176.600 -0.225 0.000 1.335 437 E CA -0.235 56.039 56.400 -0.210 0.000 0.708 437 E CB -0.637 28.960 29.700 -0.172 0.000 1.105 437 E HN 0.207 nan 8.360 nan 0.000 0.346 438 V N 1.385 121.170 119.914 -0.214 0.000 2.372 438 V HA 0.073 4.193 4.120 -0.000 0.000 0.261 438 V C 0.791 176.830 176.094 -0.091 0.000 1.055 438 V CA 0.549 62.742 62.300 -0.179 0.000 0.930 438 V CB 1.151 32.892 31.823 -0.138 0.000 1.031 438 V HN 0.365 nan 8.190 nan 0.000 0.479 439 D N 4.942 125.295 120.400 -0.079 0.000 2.123 439 D HA 0.003 4.643 4.640 -0.000 0.000 0.196 439 D C 0.397 176.678 176.300 -0.032 0.000 0.992 439 D CA 2.173 56.143 54.000 -0.049 0.000 0.833 439 D CB 0.093 40.867 40.800 -0.043 0.000 0.954 439 D HN 0.627 nan 8.370 nan 0.000 0.455 440 L N -1.293 119.916 121.223 -0.024 0.000 2.591 440 L HA 0.463 4.803 4.340 -0.000 0.000 0.257 440 L C -1.764 175.083 176.870 -0.039 0.000 0.935 440 L CA -1.017 53.810 54.840 -0.023 0.000 0.873 440 L CB 1.847 43.894 42.059 -0.020 0.000 1.397 440 L HN -0.134 nan 8.230 nan 0.000 0.414 441 V N 2.538 122.425 119.914 -0.044 0.000 2.680 441 V HA 0.917 5.037 4.120 -0.000 0.000 0.309 441 V C -1.583 174.445 176.094 -0.110 0.000 1.052 441 V CA -0.388 61.837 62.300 -0.126 0.000 0.908 441 V CB 1.848 33.599 31.823 -0.120 0.000 1.001 441 V HN 1.005 nan 8.190 nan 0.000 0.431 442 V N 5.957 125.762 119.914 -0.181 0.000 2.577 442 V HA 0.653 4.773 4.120 -0.000 0.000 0.303 442 V C -1.247 174.772 176.094 -0.126 0.000 1.042 442 V CA -0.523 61.732 62.300 -0.076 0.000 0.872 442 V CB 1.679 33.489 31.823 -0.021 0.000 0.998 442 V HN 0.842 nan 8.190 nan 0.000 0.423 443 F N 6.694 126.680 119.950 0.060 0.000 2.421 443 F HA 0.354 4.881 4.527 -0.000 0.000 0.358 443 F C 0.942 176.783 175.800 0.068 0.000 1.115 443 F CA 0.116 58.167 58.000 0.086 0.000 1.160 443 F CB 1.002 39.988 39.000 -0.022 0.000 1.123 443 F HN 0.712 nan 8.300 nan 0.000 0.508 444 Y N 1.659 122.021 120.300 0.103 0.000 2.207 444 Y HA -0.162 4.388 4.550 -0.000 0.000 0.287 444 Y C 0.388 176.326 175.900 0.064 0.000 1.156 444 Y CA 1.177 59.302 58.100 0.042 0.000 1.182 444 Y CB 0.328 38.795 38.460 0.012 0.000 0.979 444 Y HN 0.537 nan 8.280 nan 0.000 0.521 445 E N -1.743 118.556 120.200 0.164 0.000 2.449 445 E HA 0.325 4.675 4.350 -0.000 0.000 0.278 445 E C -2.778 173.829 176.600 0.012 0.000 0.992 445 E CA -2.493 53.935 56.400 0.047 0.000 0.807 445 E CB 1.326 31.085 29.700 0.099 0.000 1.350 445 E HN -0.229 nan 8.360 nan 0.000 0.462 446 P HA 0.120 nan 4.420 nan 0.000 0.276 446 P C -0.961 176.129 177.300 -0.351 0.000 1.243 446 P CA -0.173 62.678 63.100 -0.415 0.000 0.768 446 P CB 0.545 31.814 31.700 -0.717 0.000 0.856 447 V N 7.709 127.467 119.914 -0.259 0.000 2.239 447 V HA 0.141 4.261 4.120 -0.000 0.000 0.267 447 V C -1.430 174.547 176.094 -0.194 0.000 1.056 447 V CA -1.574 60.642 62.300 -0.140 0.000 0.830 447 V CB 0.914 32.767 31.823 0.049 0.000 1.090 447 V HN 0.491 nan 8.190 nan 0.000 0.459 448 P HA -0.345 nan 4.420 nan 0.000 0.224 448 P C 2.052 179.305 177.300 -0.078 0.000 1.153 448 P CA 2.569 65.630 63.100 -0.066 0.000 0.947 448 P CB 0.104 31.808 31.700 0.007 0.000 0.790 449 S N -1.077 114.580 115.700 -0.072 0.000 2.359 449 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 449 S C 2.082 176.627 174.600 -0.092 0.000 1.035 449 S CA 1.653 59.817 58.200 -0.061 0.000 1.018 449 S CB -1.486 61.685 63.200 -0.049 0.000 0.876 449 S HN 0.198 nan 8.310 nan 0.000 0.448 450 A N 1.635 124.351 122.820 -0.174 0.000 1.929 450 A HA 0.213 4.532 4.320 -0.000 0.000 0.216 450 A C 2.280 179.841 177.584 -0.039 0.000 1.176 450 A CA 1.213 53.108 52.037 -0.236 0.000 0.628 450 A CB -0.774 17.777 19.000 -0.748 0.000 0.816 450 A HN 0.596 nan 8.150 nan 0.000 0.444 451 I N -1.115 119.358 120.570 -0.162 0.000 2.286 451 I HA -0.247 3.922 4.170 -0.000 0.000 0.248 451 I C 2.786 178.888 176.117 -0.025 0.000 1.115 451 I CA 1.222 62.382 61.300 -0.234 0.000 1.392 451 I CB -0.304 37.369 38.000 -0.545 0.000 1.065 451 I HN 0.329 nan 8.210 nan 0.000 0.418 452 R N 0.131 120.611 120.500 -0.032 0.000 2.073 452 R HA -0.177 4.162 4.340 -0.000 0.000 0.234 452 R C 2.599 178.933 176.300 0.057 0.000 1.134 452 R CA 1.789 57.901 56.100 0.019 0.000 0.952 452 R CB -0.312 29.991 30.300 0.005 0.000 0.850 452 R HN 0.232 nan 8.270 nan 0.000 0.433 453 S N 0.678 116.405 115.700 0.045 0.000 2.359 453 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 453 S C 1.976 176.639 174.600 0.105 0.000 1.039 453 S CA 1.541 59.780 58.200 0.066 0.000 1.042 453 S CB -0.262 62.969 63.200 0.051 0.000 0.915 453 S HN 0.285 nan 8.310 nan 0.000 0.439 454 I N 0.946 121.610 120.570 0.157 0.000 2.151 454 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 454 I C 2.883 179.095 176.117 0.159 0.000 1.080 454 I CA 1.787 63.197 61.300 0.183 0.000 1.339 454 I CB -0.511 37.669 38.000 0.300 0.000 1.039 454 I HN 0.451 nan 8.210 nan 0.000 0.409 455 Q N 0.511 120.440 119.800 0.216 0.000 2.096 455 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 455 Q C 2.402 178.465 176.000 0.105 0.000 0.982 455 Q CA 1.763 57.679 55.803 0.187 0.000 0.850 455 Q CB 0.029 28.875 28.738 0.180 0.000 0.901 455 Q HN 0.422 nan 8.270 nan 0.000 0.422 456 R N -0.171 120.381 120.500 0.087 0.000 2.066 456 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 456 R C 2.233 178.567 176.300 0.056 0.000 1.131 456 R CA 1.302 57.440 56.100 0.062 0.000 0.955 456 R CB -0.306 30.027 30.300 0.056 0.000 0.851 456 R HN 0.247 nan 8.270 nan 0.000 0.432 457 R N 0.409 120.946 120.500 0.061 0.000 2.139 457 R HA -0.106 4.234 4.340 -0.000 0.000 0.243 457 R C 2.196 178.519 176.300 0.038 0.000 1.145 457 R CA 1.545 57.674 56.100 0.048 0.000 0.976 457 R CB -1.128 29.205 30.300 0.056 0.000 0.866 457 R HN 0.343 nan 8.270 nan 0.000 0.449 458 G N 1.039 109.863 108.800 0.040 0.000 2.470 458 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 458 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 458 G C 1.621 176.547 174.900 0.043 0.000 1.121 458 G CA 0.321 45.439 45.100 0.030 0.000 0.766 458 G HN 0.261 nan 8.290 nan 0.000 0.553 459 R N -0.248 120.280 120.500 0.048 0.000 2.173 459 R HA 0.152 4.491 4.340 -0.000 0.000 0.208 459 R C 2.046 178.385 176.300 0.065 0.000 1.035 459 R CA 1.035 57.170 56.100 0.057 0.000 1.004 459 R CB -0.032 30.292 30.300 0.040 0.000 0.917 459 R HN 0.469 nan 8.270 nan 0.000 0.462 460 T N -4.213 110.368 114.554 0.044 0.000 2.920 460 T HA 0.405 4.754 4.350 -0.000 0.000 0.292 460 T C 1.102 175.813 174.700 0.018 0.000 1.093 460 T CA -0.298 61.819 62.100 0.028 0.000 0.944 460 T CB 1.287 70.164 68.868 0.015 0.000 1.605 460 T HN 0.090 nan 8.240 nan 0.000 0.590 461 G N -0.501 108.291 108.800 -0.012 0.000 3.863 461 G HA2 0.295 4.255 3.960 -0.000 0.000 0.290 461 G HA3 0.295 4.255 3.960 -0.000 0.000 0.290 461 G C 0.338 175.187 174.900 -0.086 0.000 1.018 461 G CA -0.602 44.479 45.100 -0.033 0.000 0.824 461 G HN 0.575 nan 8.290 nan 0.000 0.507 462 R N 0.068 120.525 120.500 -0.070 0.000 2.707 462 R HA 0.248 4.588 4.340 -0.000 0.000 0.270 462 R C -0.281 175.962 176.300 -0.095 0.000 1.083 462 R CA -0.533 55.500 56.100 -0.112 0.000 1.182 462 R CB 0.428 30.709 30.300 -0.033 0.000 1.084 462 R HN 0.412 nan 8.270 nan 0.000 0.528 463 H N 0.431 119.499 119.070 -0.003 0.000 3.064 463 H HA -0.053 4.502 4.556 -0.000 0.000 0.329 463 H C -0.076 175.251 175.328 -0.001 0.000 1.020 463 H CA 0.566 56.608 56.048 -0.011 0.000 1.402 463 H CB 0.420 30.168 29.762 -0.024 0.000 1.379 463 H HN 0.221 nan 8.280 nan 0.000 0.594 464 M N 4.438 124.113 119.600 0.125 0.000 2.464 464 M HA 0.384 4.864 4.480 -0.000 0.000 0.308 464 M C -2.595 173.729 176.300 0.041 0.000 1.127 464 M CA -1.971 53.367 55.300 0.064 0.000 0.913 464 M CB 1.767 34.382 32.600 0.025 0.000 1.689 464 M HN 0.285 nan 8.290 nan 0.000 0.445 465 P HA 0.258 nan 4.420 nan 0.000 0.269 465 P C 0.394 177.685 177.300 -0.015 0.000 1.215 465 P CA -0.105 62.999 63.100 0.006 0.000 0.780 465 P CB 0.571 32.287 31.700 0.026 0.000 0.898 466 G N 1.696 110.482 108.800 -0.024 0.000 2.418 466 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 466 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 466 G C 0.328 175.207 174.900 -0.035 0.000 1.158 466 G CA 0.486 45.569 45.100 -0.029 0.000 0.771 466 G HN 0.696 nan 8.290 nan 0.000 0.545 467 R N -2.015 118.466 120.500 -0.032 0.000 2.692 467 R HA 0.591 4.931 4.340 -0.000 0.000 0.269 467 R C -1.988 174.301 176.300 -0.019 0.000 1.030 467 R CA -0.808 55.270 56.100 -0.038 0.000 0.882 467 R CB 1.708 31.991 30.300 -0.028 0.000 1.250 467 R HN 0.358 nan 8.270 nan 0.000 0.465 468 V N 0.820 120.724 119.914 -0.016 0.000 2.760 468 V HA 0.711 4.830 4.120 -0.000 0.000 0.309 468 V C -1.166 174.964 176.094 0.060 0.000 1.077 468 V CA -0.744 61.594 62.300 0.063 0.000 0.910 468 V CB 1.892 33.819 31.823 0.173 0.000 1.008 468 V HN 0.816 nan 8.190 nan 0.000 0.424 469 I N 5.948 126.564 120.570 0.076 0.000 2.509 469 I HA 0.562 4.732 4.170 -0.000 0.000 0.293 469 I C -0.845 175.289 176.117 0.030 0.000 1.020 469 I CA -0.826 60.481 61.300 0.012 0.000 1.088 469 I CB 2.155 40.156 38.000 0.003 0.000 1.267 469 I HN 0.472 nan 8.210 nan 0.000 0.430 470 I N 6.496 126.955 120.570 -0.185 0.000 2.378 470 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 470 I C -0.222 175.806 176.117 -0.150 0.000 0.992 470 I CA -0.534 60.608 61.300 -0.264 0.000 1.154 470 I CB 1.507 38.936 38.000 -0.952 0.000 1.315 470 I HN 0.363 nan 8.210 nan 0.000 0.448 471 L N 6.888 128.076 121.223 -0.059 0.000 2.325 471 L HA 0.645 4.985 4.340 -0.000 0.000 0.279 471 L C -0.136 176.714 176.870 -0.034 0.000 1.054 471 L CA -0.540 54.263 54.840 -0.061 0.000 0.804 471 L CB 1.330 43.308 42.059 -0.134 0.000 1.200 471 L HN 0.553 nan 8.230 nan 0.000 0.436 472 M N 1.529 121.128 119.600 -0.001 0.000 2.378 472 M HA 0.682 5.162 4.480 -0.000 0.000 0.289 472 M C -0.939 175.372 176.300 0.018 0.000 1.136 472 M CA -0.720 54.600 55.300 0.034 0.000 0.917 472 M CB 2.132 34.796 32.600 0.107 0.000 1.669 472 M HN 0.469 nan 8.290 nan 0.000 0.461 473 A N 2.744 125.580 122.820 0.027 0.000 2.310 473 A HA 0.348 4.668 4.320 -0.000 0.000 0.300 473 A C 0.233 177.847 177.584 0.051 0.000 1.269 473 A CA -0.393 51.658 52.037 0.024 0.000 0.909 473 A CB 0.274 19.297 19.000 0.039 0.000 1.144 473 A HN 0.777 nan 8.150 nan 0.000 0.540 474 K N 2.052 122.478 120.400 0.043 0.000 2.513 474 K HA -0.040 4.280 4.320 -0.000 0.000 0.275 474 K C 1.219 177.863 176.600 0.075 0.000 1.025 474 K CA 1.590 57.914 56.287 0.062 0.000 1.125 474 K CB -0.216 32.313 32.500 0.048 0.000 0.843 474 K HN 1.740 nan 8.250 nan 0.000 0.486 475 G N 2.933 111.788 108.800 0.092 0.000 2.283 475 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.280 475 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.280 475 G C 0.207 175.159 174.900 0.086 0.000 1.029 475 G CA 0.986 46.140 45.100 0.090 0.000 0.840 475 G HN 0.706 nan 8.290 nan 0.000 0.505 476 T N -2.144 112.468 114.554 0.096 0.000 2.888 476 T HA 0.543 4.893 4.350 -0.000 0.000 0.288 476 T C 1.571 176.335 174.700 0.108 0.000 1.063 476 T CA 0.001 62.156 62.100 0.091 0.000 1.010 476 T CB 1.298 70.223 68.868 0.095 0.000 1.214 476 T HN 0.195 nan 8.240 nan 0.000 0.533 477 R N 0.484 121.046 120.500 0.103 0.000 2.154 477 R HA -0.172 4.167 4.340 -0.000 0.000 0.248 477 R C 1.169 177.568 176.300 0.165 0.000 1.155 477 R CA 2.225 58.403 56.100 0.129 0.000 0.979 477 R CB -0.324 30.048 30.300 0.120 0.000 0.869 477 R HN 0.590 nan 8.270 nan 0.000 0.452 478 D N 0.322 120.805 120.400 0.138 0.000 2.127 478 D HA -0.204 4.436 4.640 -0.000 0.000 0.190 478 D C 1.774 178.191 176.300 0.196 0.000 1.000 478 D CA 1.374 55.460 54.000 0.144 0.000 0.839 478 D CB -0.284 40.576 40.800 0.101 0.000 0.955 478 D HN 0.366 nan 8.370 nan 0.000 0.446 479 E N 0.394 120.692 120.200 0.163 0.000 2.023 479 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 479 E C 2.140 178.855 176.600 0.191 0.000 1.003 479 E CA 1.117 57.613 56.400 0.160 0.000 0.809 479 E CB -0.187 29.622 29.700 0.181 0.000 0.755 479 E HN 0.202 nan 8.360 nan 0.000 0.449 480 A N 0.898 123.852 122.820 0.224 0.000 1.927 480 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 480 A C 2.061 179.756 177.584 0.185 0.000 1.185 480 A CA 1.877 54.047 52.037 0.222 0.000 0.639 480 A CB -1.044 18.055 19.000 0.163 0.000 0.820 480 A HN 0.477 nan 8.150 nan 0.000 0.451 481 Y N -1.394 118.957 120.300 0.084 0.000 2.224 481 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 481 Y C 2.165 178.083 175.900 0.030 0.000 1.146 481 Y CA 1.932 60.070 58.100 0.064 0.000 1.182 481 Y CB -0.432 38.076 38.460 0.081 0.000 0.983 481 Y HN 0.509 nan 8.280 nan 0.000 0.524 482 Y N -0.843 119.446 120.300 -0.019 0.000 2.070 482 Y HA -0.365 4.185 4.550 -0.000 0.000 0.280 482 Y C 1.989 177.577 175.900 -0.520 0.000 1.148 482 Y CA 1.716 59.535 58.100 -0.469 0.000 1.125 482 Y CB -0.801 37.132 38.460 -0.878 0.000 0.975 482 Y HN 0.192 nan 8.280 nan 0.000 0.492 483 W N 0.247 121.212 121.300 -0.559 0.000 2.329 483 W HA -0.232 4.428 4.660 -0.000 0.000 0.324 483 W C 3.089 179.373 176.519 -0.391 0.000 1.222 483 W CA 1.238 58.214 57.345 -0.616 0.000 1.270 483 W CB -1.132 28.083 29.460 -0.409 0.000 1.167 483 W HN 0.017 nan 8.180 nan 0.000 0.467 484 S N -0.070 115.619 115.700 -0.018 0.000 2.434 484 S HA -0.236 4.234 4.470 -0.000 0.000 0.243 484 S C 1.163 175.644 174.600 -0.198 0.000 1.045 484 S CA 1.461 59.595 58.200 -0.111 0.000 1.019 484 S CB -0.633 62.486 63.200 -0.135 0.000 0.811 484 S HN 0.042 nan 8.310 nan 0.000 0.485 485 S N 2.185 117.717 115.700 -0.280 0.000 2.592 485 S HA 0.431 4.901 4.470 -0.000 0.000 0.305 485 S C -0.159 174.341 174.600 -0.167 0.000 1.118 485 S CA -0.861 57.179 58.200 -0.266 0.000 1.075 485 S CB -0.149 62.843 63.200 -0.347 0.000 1.107 485 S HN 0.583 nan 8.310 nan 0.000 0.503 486 R N 0.000 120.435 120.500 -0.108 0.000 2.786 486 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 486 R CA 0.000 56.063 56.100 -0.062 0.000 0.921 486 R CB 0.000 30.270 30.300 -0.050 0.000 0.687 486 R HN 0.000 nan 8.270 nan 0.000 0.535