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 3nv5_1_A DATA FIRST_RESID 11 DATA SEQUENCE AKVERPANVP EDRVYEIDMY ALNGIEDGYH EAWKKVQHPG IPDLIWTPFT DATA SEQUENCE GGHWIATNGD TVKEVYSDPT RFSSEVIFLP KEXXEKYQMV PTKMDPPEHT DATA SEQUENCE PYRKALDKGL NLAKIRKVED KVREVASSLI DSFAARGECD FAAEYAELFP DATA SEQUENCE VHVFMALADL PLEDIPVLSE YARQMTRPEX XXPEEMATDL EAGNNGFYAY DATA SEQUENCE VDPIIRARVG GDGDDLITLM VNSEINGERI AHDKAQGLIS LLLLGGLDTV DATA SEQUENCE VNFLSFFMIH LARHPELVAE LRSDPLKLMR GAEEMFRRFP VVSEARMVAK DATA SEQUENCE DQEYKGVFLK RGDMILLPTA LHGLDDAANP EPWKLDFSRR SISHSTFGGG DATA SEQUENCE PHRCAGMHLA RMEVIVTLEE WLKRIPEFSF KEGETPIYHS GIVAAVENVP DATA SEQUENCE LVWP 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.521 177.584 -0.104 0.000 1.274 11 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 11 A CB 0.000 19.024 19.000 0.041 0.000 0.831 12 K N 1.278 121.565 120.400 -0.188 0.000 2.164 12 K HA 0.702 5.039 4.320 0.029 0.000 0.258 12 K C -0.588 175.940 176.600 -0.120 0.000 0.951 12 K CA -0.785 55.325 56.287 -0.294 0.000 0.844 12 K CB 2.868 35.136 32.500 -0.387 0.000 1.099 12 K HN 0.313 nan 8.250 nan 0.000 0.435 13 V N 1.712 121.584 119.914 -0.069 0.000 2.716 13 V HA 0.082 4.219 4.120 0.029 0.000 0.304 13 V C 0.005 176.153 176.094 0.091 0.000 1.053 13 V CA -0.533 61.789 62.300 0.037 0.000 0.984 13 V CB 1.620 33.500 31.823 0.095 0.000 1.021 13 V HN 0.850 nan 8.190 nan 0.000 0.467 14 E N 4.428 124.669 120.200 0.068 0.000 2.398 14 E HA 0.091 4.458 4.350 0.029 0.000 0.263 14 E C 0.293 176.919 176.600 0.043 0.000 1.046 14 E CA -0.340 56.087 56.400 0.044 0.000 0.908 14 E CB 0.506 30.211 29.700 0.008 0.000 0.963 14 E HN 0.574 nan 8.360 nan 0.000 0.431 15 R N 4.573 125.038 120.500 -0.057 0.000 2.458 15 R HA 0.108 4.466 4.340 0.029 0.000 0.303 15 R C -2.067 174.042 176.300 -0.318 0.000 1.013 15 R CA -1.209 54.694 56.100 -0.329 0.000 1.026 15 R CB 0.219 30.320 30.300 -0.332 0.000 0.948 15 R HN 0.418 nan 8.270 nan 0.000 0.417 16 P HA 0.068 nan 4.420 nan 0.000 0.274 16 P C -0.372 176.792 177.300 -0.227 0.000 1.246 16 P CA -0.161 62.794 63.100 -0.241 0.000 0.795 16 P CB 0.851 32.435 31.700 -0.194 0.000 1.006 17 A N 1.615 124.372 122.820 -0.104 0.000 2.172 17 A HA -0.152 4.186 4.320 0.029 0.000 0.216 17 A C 1.454 179.018 177.584 -0.034 0.000 1.154 17 A CA 1.483 53.478 52.037 -0.070 0.000 0.701 17 A CB -1.435 17.544 19.000 -0.034 0.000 0.789 17 A HN 0.815 nan 8.150 nan 0.000 0.465 18 N N -1.395 117.305 118.700 0.000 0.000 2.280 18 N HA 0.179 4.936 4.740 0.029 0.000 0.192 18 N C -0.617 174.993 175.510 0.167 0.000 1.109 18 N CA 0.014 53.153 53.050 0.149 0.000 0.855 18 N CB 0.497 39.181 38.487 0.328 0.000 0.974 18 N HN 0.039 nan 8.380 nan 0.000 0.482 19 V N 2.135 121.959 119.914 -0.151 0.000 2.311 19 V HA 0.395 4.533 4.120 0.029 0.000 0.275 19 V C -2.088 173.901 176.094 -0.175 0.000 1.022 19 V CA -1.810 60.285 62.300 -0.340 0.000 0.830 19 V CB 0.899 32.032 31.823 -1.149 0.000 1.012 19 V HN 0.119 nan 8.190 nan 0.000 0.452 20 P HA 0.147 nan 4.420 nan 0.000 0.271 20 P C 0.889 178.180 177.300 -0.015 0.000 1.244 20 P CA -0.198 62.909 63.100 0.011 0.000 0.793 20 P CB 1.154 32.901 31.700 0.078 0.000 0.984 21 E N 0.424 120.620 120.200 -0.007 0.000 2.106 21 E HA -0.195 4.172 4.350 0.029 0.000 0.192 21 E C 0.819 177.438 176.600 0.032 0.000 0.984 21 E CA 1.174 57.569 56.400 -0.008 0.000 0.806 21 E CB -0.157 29.536 29.700 -0.011 0.000 0.750 21 E HN 0.526 nan 8.360 nan 0.000 0.458 22 D N -0.700 119.735 120.400 0.059 0.000 2.352 22 D HA -0.089 4.568 4.640 0.029 0.000 0.232 22 D C 1.159 177.572 176.300 0.188 0.000 1.055 22 D CA 0.205 54.259 54.000 0.090 0.000 0.891 22 D CB 0.072 40.921 40.800 0.082 0.000 0.897 22 D HN -0.006 nan 8.370 nan 0.000 0.529 23 R N 0.122 120.751 120.500 0.215 0.000 2.334 23 R HA 0.197 4.554 4.340 0.029 0.000 0.212 23 R C 0.083 176.655 176.300 0.455 0.000 0.897 23 R CA -0.108 56.201 56.100 0.350 0.000 1.056 23 R CB 0.279 30.787 30.300 0.346 0.000 1.046 23 R HN 0.142 nan 8.270 nan 0.000 0.513 24 V N 2.596 122.695 119.914 0.308 0.000 2.470 24 V HA 0.082 4.220 4.120 0.029 0.000 0.276 24 V C -0.494 175.772 176.094 0.286 0.000 1.040 24 V CA 0.101 62.605 62.300 0.339 0.000 1.008 24 V CB -0.032 31.913 31.823 0.203 0.000 0.990 24 V HN 0.035 nan 8.190 nan 0.000 0.477 25 Y N 1.878 122.273 120.300 0.158 0.000 2.477 25 Y HA 0.392 4.959 4.550 0.028 0.000 0.347 25 Y C 0.626 176.595 175.900 0.115 0.000 0.981 25 Y CA -1.281 56.893 58.100 0.123 0.000 1.033 25 Y CB 1.908 40.438 38.460 0.117 0.000 1.245 25 Y HN 0.571 nan 8.280 nan 0.000 0.455 26 E N 4.504 124.864 120.200 0.267 0.000 1.892 26 E HA 0.250 4.617 4.350 0.029 0.000 0.271 26 E C -0.873 175.857 176.600 0.216 0.000 1.146 26 E CA 0.099 56.722 56.400 0.371 0.000 1.096 26 E CB 0.039 29.956 29.700 0.361 0.000 1.155 26 E HN 0.461 nan 8.360 nan 0.000 0.458 27 I N 1.620 122.271 120.570 0.134 0.000 2.355 27 I HA 0.118 4.305 4.170 0.029 0.000 0.288 27 I C -0.020 175.932 176.117 -0.276 0.000 0.999 27 I CA -0.798 60.433 61.300 -0.116 0.000 1.163 27 I CB 1.340 39.318 38.000 -0.035 0.000 1.316 27 I HN 0.051 nan 8.210 nan 0.000 0.454 28 D N 7.281 127.340 120.400 -0.567 0.000 2.359 28 D HA 0.207 4.864 4.640 0.029 0.000 0.230 28 D C 0.976 177.119 176.300 -0.262 0.000 1.118 28 D CA -0.576 53.134 54.000 -0.484 0.000 0.844 28 D CB 1.198 41.564 40.800 -0.723 0.000 1.059 28 D HN 0.593 nan 8.370 nan 0.000 0.493 29 M N 2.250 121.775 119.600 -0.124 0.000 2.460 29 M HA -0.092 4.405 4.480 0.029 0.000 0.263 29 M C 0.201 176.328 176.300 -0.289 0.000 1.071 29 M CA 1.201 56.394 55.300 -0.178 0.000 1.096 29 M CB -0.177 32.386 32.600 -0.062 0.000 1.408 29 M HN 0.266 nan 8.290 nan 0.000 0.463 30 Y N 0.807 121.107 120.300 -0.000 0.000 2.462 30 Y HA 0.508 5.074 4.550 0.027 0.000 0.261 30 Y C 0.898 176.790 175.900 -0.013 0.000 1.146 30 Y CA -0.018 58.098 58.100 0.025 0.000 1.283 30 Y CB 0.605 39.086 38.460 0.035 0.000 1.090 30 Y HN 0.362 nan 8.280 nan 0.000 0.526 31 A N 0.853 123.669 122.820 -0.006 0.000 3.005 31 A HA 0.448 4.785 4.320 0.029 0.000 0.308 31 A C -1.034 176.438 177.584 -0.188 0.000 1.173 31 A CA -0.486 51.516 52.037 -0.060 0.000 0.796 31 A CB -0.426 18.544 19.000 -0.050 0.000 1.325 31 A HN 0.196 nan 8.150 nan 0.000 0.467 32 L N 1.135 122.224 121.223 -0.223 0.000 2.371 32 L HA 0.250 4.607 4.340 0.029 0.000 0.272 32 L C 0.795 177.526 176.870 -0.232 0.000 1.124 32 L CA -0.791 53.847 54.840 -0.336 0.000 0.816 32 L CB 0.838 42.588 42.059 -0.516 0.000 1.129 32 L HN 0.746 nan 8.230 nan 0.000 0.448 33 N N 2.059 120.631 118.700 -0.214 0.000 2.374 33 N HA 0.098 4.855 4.740 0.029 0.000 0.269 33 N C 0.824 176.255 175.510 -0.132 0.000 1.310 33 N CA 1.384 54.351 53.050 -0.138 0.000 0.877 33 N CB 0.472 38.898 38.487 -0.102 0.000 1.096 33 N HN 0.778 nan 8.380 nan 0.000 0.484 34 G N 3.363 112.105 108.800 -0.097 0.000 2.157 34 G HA2 -0.312 3.665 3.960 0.029 0.000 0.248 34 G HA3 -0.312 3.665 3.960 0.029 0.000 0.248 34 G C 0.869 175.713 174.900 -0.094 0.000 0.979 34 G CA 0.218 45.268 45.100 -0.084 0.000 0.650 34 G HN 0.637 nan 8.290 nan 0.000 0.529 35 I N 1.887 122.397 120.570 -0.101 0.000 2.300 35 I HA -0.188 4.000 4.170 0.029 0.000 0.252 35 I C 2.602 178.703 176.117 -0.026 0.000 1.119 35 I CA 2.637 63.887 61.300 -0.083 0.000 1.384 35 I CB -0.010 37.964 38.000 -0.044 0.000 1.062 35 I HN 0.524 nan 8.210 nan 0.000 0.426 36 E N -0.535 119.676 120.200 0.018 0.000 2.409 36 E HA -0.205 4.163 4.350 0.029 0.000 0.198 36 E C 0.935 177.598 176.600 0.105 0.000 1.024 36 E CA 1.178 57.645 56.400 0.111 0.000 0.861 36 E CB -0.697 29.037 29.700 0.058 0.000 0.788 36 E HN 0.526 nan 8.360 nan 0.000 0.521 37 D N 1.050 121.436 120.400 -0.023 0.000 2.340 37 D HA 0.234 4.892 4.640 0.029 0.000 0.220 37 D C 0.680 176.855 176.300 -0.209 0.000 1.039 37 D CA 1.056 55.023 54.000 -0.055 0.000 0.866 37 D CB 0.721 41.483 40.800 -0.062 0.000 0.913 37 D HN 0.344 nan 8.370 nan 0.000 0.523 38 G N -0.067 108.415 108.800 -0.531 0.000 2.348 38 G HA2 -0.174 3.803 3.960 0.029 0.000 0.606 38 G HA3 -0.174 3.803 3.960 0.029 0.000 0.606 38 G C -0.209 174.419 174.900 -0.452 0.000 1.466 38 G CA -0.527 43.969 45.100 -1.006 0.000 0.950 38 G HN 0.037 nan 8.290 nan 0.000 0.657 39 Y N 0.540 120.584 120.300 -0.426 0.000 2.133 39 Y HA -0.085 4.482 4.550 0.028 0.000 0.287 39 Y C 2.736 178.547 175.900 -0.148 0.000 1.134 39 Y CA 2.886 60.869 58.100 -0.195 0.000 1.133 39 Y CB -0.116 38.291 38.460 -0.088 0.000 0.987 39 Y HN 0.750 nan 8.280 nan 0.000 0.502 40 H N -0.425 118.701 119.070 0.094 0.000 2.357 40 H HA -0.107 4.466 4.556 0.029 0.000 0.301 40 H C 1.941 177.413 175.328 0.239 0.000 1.082 40 H CA 1.596 57.697 56.048 0.087 0.000 1.342 40 H CB -0.080 29.760 29.762 0.131 0.000 1.389 40 H HN 0.342 nan 8.280 nan 0.000 0.511 41 E N 0.844 121.274 120.200 0.383 0.000 2.049 41 E HA -0.221 4.146 4.350 0.029 0.000 0.198 41 E C 2.409 179.062 176.600 0.088 0.000 1.007 41 E CA 1.325 57.870 56.400 0.241 0.000 0.809 41 E CB -0.363 29.346 29.700 0.016 0.000 0.749 41 E HN 0.527 nan 8.360 nan 0.000 0.450 42 A N -0.306 122.474 122.820 -0.067 0.000 1.933 42 A HA -0.165 4.172 4.320 0.029 0.000 0.218 42 A C 2.032 179.495 177.584 -0.201 0.000 1.175 42 A CA 1.311 53.242 52.037 -0.176 0.000 0.628 42 A CB -1.042 17.787 19.000 -0.285 0.000 0.814 42 A HN 0.427 nan 8.150 nan 0.000 0.444 43 W N -0.189 120.969 121.300 -0.236 0.000 2.381 43 W HA -0.123 4.553 4.660 0.027 0.000 0.301 43 W C 2.372 178.838 176.519 -0.089 0.000 1.205 43 W CA 1.516 58.729 57.345 -0.220 0.000 1.285 43 W CB 0.102 29.350 29.460 -0.354 0.000 1.133 43 W HN 0.275 nan 8.180 nan 0.000 0.521 44 K N 1.099 121.651 120.400 0.252 0.000 2.097 44 K HA -0.165 4.172 4.320 0.029 0.000 0.206 44 K C 1.577 178.290 176.600 0.188 0.000 1.049 44 K CA 1.481 57.914 56.287 0.243 0.000 0.933 44 K CB -0.192 32.576 32.500 0.447 0.000 0.717 44 K HN -0.062 nan 8.250 nan 0.000 0.442 45 K N -0.358 120.121 120.400 0.133 0.000 2.362 45 K HA -0.035 4.302 4.320 0.029 0.000 0.200 45 K C 1.624 178.287 176.600 0.106 0.000 1.046 45 K CA 0.845 57.188 56.287 0.093 0.000 0.952 45 K CB 0.174 32.694 32.500 0.032 0.000 0.753 45 K HN -0.029 nan 8.250 nan 0.000 0.466 46 V N 0.848 120.822 119.914 0.100 0.000 2.488 46 V HA -0.155 3.983 4.120 0.029 0.000 0.246 46 V C 1.499 177.634 176.094 0.069 0.000 1.046 46 V CA 1.106 63.472 62.300 0.110 0.000 1.053 46 V CB -0.239 31.660 31.823 0.126 0.000 0.679 46 V HN 0.337 nan 8.190 nan 0.000 0.458 47 Q N 1.808 121.647 119.800 0.066 0.000 3.184 47 Q HA 0.042 4.399 4.340 0.029 0.000 0.288 47 Q C 0.372 176.367 176.000 -0.009 0.000 1.412 47 Q CA -0.317 55.465 55.803 -0.034 0.000 0.991 47 Q CB -0.268 28.472 28.738 0.004 0.000 1.688 47 Q HN 0.818 nan 8.270 nan 0.000 0.554 48 H N 0.165 119.279 119.070 0.073 0.000 2.679 48 H HA 0.317 4.890 4.556 0.029 0.000 0.369 48 H C -2.472 172.894 175.328 0.064 0.000 1.178 48 H CA -2.209 53.887 56.048 0.079 0.000 1.419 48 H CB -0.014 29.810 29.762 0.104 0.000 1.458 48 H HN 0.220 nan 8.280 nan 0.000 0.605 49 P HA 0.036 nan 4.420 nan 0.000 0.265 49 P C 0.972 178.432 177.300 0.266 0.000 1.193 49 P CA 1.648 64.854 63.100 0.177 0.000 0.765 49 P CB 0.457 32.237 31.700 0.132 0.000 0.823 50 G N 2.801 111.681 108.800 0.133 0.000 2.176 50 G HA2 -0.294 3.683 3.960 0.029 0.000 0.253 50 G HA3 -0.294 3.683 3.960 0.029 0.000 0.253 50 G C 0.296 175.258 174.900 0.105 0.000 0.979 50 G CA -0.178 45.001 45.100 0.133 0.000 0.641 50 G HN 0.629 nan 8.290 nan 0.000 0.530 51 I N 2.931 123.450 120.570 -0.085 0.000 2.752 51 I HA 0.305 4.492 4.170 0.029 0.000 0.289 51 I C -1.236 174.818 176.117 -0.105 0.000 1.197 51 I CA -1.376 59.769 61.300 -0.259 0.000 1.432 51 I CB 0.720 38.321 38.000 -0.665 0.000 1.359 51 I HN 0.000 nan 8.210 nan 0.000 0.571 52 P HA 0.079 nan 4.420 nan 0.000 0.269 52 P C -0.091 177.170 177.300 -0.064 0.000 1.209 52 P CA -0.160 62.933 63.100 -0.010 0.000 0.776 52 P CB 0.498 32.238 31.700 0.068 0.000 0.876 53 D N 0.465 120.819 120.400 -0.077 0.000 2.190 53 D HA -0.118 4.540 4.640 0.029 0.000 0.200 53 D C 0.380 176.626 176.300 -0.090 0.000 0.992 53 D CA 1.630 55.563 54.000 -0.112 0.000 0.854 53 D CB -0.085 40.618 40.800 -0.161 0.000 0.936 53 D HN 0.133 nan 8.370 nan 0.000 0.462 54 L N 0.630 121.831 121.223 -0.036 0.000 2.406 54 L HA 0.345 4.702 4.340 0.029 0.000 0.270 54 L C -0.331 176.683 176.870 0.240 0.000 0.982 54 L CA -0.627 54.258 54.840 0.075 0.000 0.843 54 L CB 1.354 43.403 42.059 -0.018 0.000 1.225 54 L HN -0.098 nan 8.230 nan 0.000 0.412 55 I N -0.041 120.672 120.570 0.237 0.000 3.205 55 I HA 0.716 4.904 4.170 0.029 0.000 0.310 55 I C -1.359 175.014 176.117 0.426 0.000 1.089 55 I CA -0.809 60.659 61.300 0.280 0.000 1.023 55 I CB 1.959 39.917 38.000 -0.070 0.000 1.269 55 I HN 0.717 nan 8.210 nan 0.000 0.512 56 W N 1.293 122.642 121.300 0.083 0.000 3.129 56 W HA 0.603 5.277 4.660 0.023 0.000 0.333 56 W C -1.364 175.092 176.519 -0.106 0.000 1.141 56 W CA -0.465 56.780 57.345 -0.167 0.000 1.224 56 W CB 1.991 31.104 29.460 -0.578 0.000 1.393 56 W HN 0.716 nan 8.180 nan 0.000 0.499 57 T N 6.225 120.151 114.554 -1.047 0.000 2.863 57 T HA 0.416 4.783 4.350 0.029 0.000 0.285 57 T C -1.978 171.822 174.700 -1.501 0.000 1.009 57 T CA -2.156 59.437 62.100 -0.845 0.000 0.989 57 T CB 2.016 70.610 68.868 -0.457 0.000 1.004 57 T HN 0.360 nan 8.240 nan 0.000 0.455 58 P HA 0.155 nan 4.420 nan 0.000 0.241 58 P C 0.170 177.198 177.300 -0.454 0.000 1.191 58 P CA 0.074 62.815 63.100 -0.599 0.000 0.771 58 P CB -0.018 31.521 31.700 -0.267 0.000 0.929 59 F N 0.780 120.559 119.950 -0.285 0.000 2.403 59 F HA 0.164 4.708 4.527 0.029 0.000 0.320 59 F C 1.539 177.315 175.800 -0.041 0.000 1.176 59 F CA 0.512 58.444 58.000 -0.113 0.000 1.206 59 F CB -0.538 38.425 39.000 -0.062 0.000 1.235 59 F HN -0.239 nan 8.300 nan 0.000 0.565 60 T N 0.493 115.228 114.554 0.303 0.000 4.040 60 T HA -0.133 4.234 4.350 0.029 0.000 0.341 60 T C 0.774 175.616 174.700 0.237 0.000 0.758 60 T CA 0.974 63.252 62.100 0.297 0.000 1.893 60 T CB -2.009 67.106 68.868 0.411 0.000 1.886 60 T HN 1.583 nan 8.240 nan 0.000 0.833 61 G N -0.435 108.450 108.800 0.140 0.000 2.195 61 G HA2 0.324 4.302 3.960 0.029 0.000 0.224 61 G HA3 0.324 4.302 3.960 0.029 0.000 0.224 61 G C 0.983 175.931 174.900 0.079 0.000 0.990 61 G CA 0.467 45.636 45.100 0.115 0.000 0.639 61 G HN 2.386 nan 8.290 nan 0.000 0.514 62 G N -0.421 108.338 108.800 -0.069 0.000 3.396 62 G HA2 0.501 4.478 3.960 0.029 0.000 0.682 62 G HA3 0.501 4.478 3.960 0.029 0.000 0.682 62 G C -0.394 174.368 174.900 -0.231 0.000 0.924 62 G CA 0.712 45.593 45.100 -0.365 0.000 0.770 62 G HN 2.796 nan 8.290 nan 0.000 0.484 63 H N -1.361 117.269 119.070 -0.733 0.000 3.003 63 H HA 0.675 5.247 4.556 0.027 0.000 0.327 63 H C -0.447 174.621 175.328 -0.433 0.000 1.353 63 H CA -1.655 54.194 56.048 -0.331 0.000 1.142 63 H CB 0.126 29.852 29.762 -0.061 0.000 1.864 63 H HN 0.620 nan 8.280 nan 0.000 0.529 64 W N 0.810 122.233 121.300 0.204 0.000 2.141 64 W HA 0.640 5.313 4.660 0.021 0.000 0.354 64 W C -0.297 176.337 176.519 0.191 0.000 1.297 64 W CA -0.634 56.836 57.345 0.208 0.000 1.380 64 W CB 0.618 30.234 29.460 0.260 0.000 1.168 64 W HN 0.469 nan 8.180 nan 0.000 0.639 65 I N 1.842 122.632 120.570 0.367 0.000 2.534 65 I HA 0.400 4.588 4.170 0.029 0.000 0.288 65 I C -0.255 175.916 176.117 0.090 0.000 1.077 65 I CA -1.372 60.045 61.300 0.196 0.000 1.051 65 I CB 1.499 39.602 38.000 0.171 0.000 1.234 65 I HN 0.471 nan 8.210 nan 0.000 0.425 66 A N 3.122 125.936 122.820 -0.011 0.000 2.409 66 A HA 0.462 4.799 4.320 0.029 0.000 0.262 66 A C 0.912 178.425 177.584 -0.117 0.000 1.113 66 A CA 0.040 52.032 52.037 -0.075 0.000 0.790 66 A CB 0.055 18.980 19.000 -0.125 0.000 1.046 66 A HN 0.869 nan 8.150 nan 0.000 0.496 67 T N -0.734 113.750 114.554 -0.117 0.000 3.044 67 T HA 0.223 4.590 4.350 0.029 0.000 0.260 67 T C 0.215 174.829 174.700 -0.143 0.000 1.019 67 T CA 0.164 62.182 62.100 -0.138 0.000 0.921 67 T CB -0.913 67.865 68.868 -0.150 0.000 1.053 67 T HN 0.887 nan 8.240 nan 0.000 0.533 68 N N -1.351 117.260 118.700 -0.148 0.000 2.853 68 N HA 0.429 5.187 4.740 0.029 0.000 0.258 68 N C 1.172 176.557 175.510 -0.209 0.000 1.444 68 N CA -0.840 52.116 53.050 -0.156 0.000 0.837 68 N CB 0.874 39.277 38.487 -0.140 0.000 1.489 68 N HN -0.074 nan 8.380 nan 0.000 0.529 69 G N 0.165 108.790 108.800 -0.292 0.000 2.440 69 G HA2 -0.341 3.636 3.960 0.029 0.000 0.218 69 G HA3 -0.341 3.636 3.960 0.029 0.000 0.218 69 G C 0.892 175.438 174.900 -0.590 0.000 1.154 69 G CA 1.607 46.288 45.100 -0.699 0.000 0.767 69 G HN 0.796 nan 8.290 nan 0.000 0.552 70 D N -0.169 120.026 120.400 -0.341 0.000 2.123 70 D HA -0.097 4.560 4.640 0.029 0.000 0.196 70 D C 2.571 178.788 176.300 -0.138 0.000 0.992 70 D CA 1.836 55.712 54.000 -0.207 0.000 0.833 70 D CB -0.144 40.573 40.800 -0.137 0.000 0.954 70 D HN 0.284 nan 8.370 nan 0.000 0.455 71 T N -0.854 113.618 114.554 -0.135 0.000 2.851 71 T HA -0.051 4.316 4.350 0.029 0.000 0.262 71 T C 2.128 176.771 174.700 -0.095 0.000 1.043 71 T CA 0.828 62.879 62.100 -0.082 0.000 1.140 71 T CB -0.343 68.464 68.868 -0.101 0.000 0.872 71 T HN -0.024 nan 8.240 nan 0.000 0.446 72 V N 1.731 121.577 119.914 -0.113 0.000 2.252 72 V HA -0.245 3.892 4.120 0.029 0.000 0.249 72 V C 2.552 178.677 176.094 0.051 0.000 1.056 72 V CA 1.715 63.988 62.300 -0.044 0.000 1.022 72 V CB -0.538 31.285 31.823 -0.000 0.000 0.641 72 V HN 0.433 nan 8.190 nan 0.000 0.445 73 K N -0.359 120.048 120.400 0.012 0.000 2.020 73 K HA -0.288 4.050 4.320 0.029 0.000 0.212 73 K C 2.308 178.944 176.600 0.061 0.000 1.050 73 K CA 2.253 58.578 56.287 0.063 0.000 0.929 73 K CB -0.238 32.262 32.500 0.001 0.000 0.714 73 K HN 0.631 nan 8.250 nan 0.000 0.443 74 E N 0.444 120.651 120.200 0.012 0.000 2.047 74 E HA -0.156 4.211 4.350 0.029 0.000 0.191 74 E C 1.895 178.470 176.600 -0.043 0.000 0.987 74 E CA 1.115 57.533 56.400 0.030 0.000 0.799 74 E CB 0.160 29.909 29.700 0.081 0.000 0.752 74 E HN 0.036 nan 8.360 nan 0.000 0.449 75 V N 0.485 120.254 119.914 -0.241 0.000 2.343 75 V HA -0.258 3.880 4.120 0.029 0.000 0.247 75 V C 1.981 177.916 176.094 -0.266 0.000 1.051 75 V CA 1.884 63.798 62.300 -0.644 0.000 1.036 75 V CB -0.757 30.567 31.823 -0.833 0.000 0.654 75 V HN 0.396 nan 8.190 nan 0.000 0.451 76 Y N 0.889 121.109 120.300 -0.134 0.000 2.556 76 Y HA -0.171 4.398 4.550 0.031 0.000 0.290 76 Y C 2.291 178.197 175.900 0.011 0.000 1.149 76 Y CA 1.143 59.215 58.100 -0.047 0.000 1.329 76 Y CB 0.175 38.618 38.460 -0.027 0.000 0.975 76 Y HN 0.468 nan 8.280 nan 0.000 0.561 77 S N -2.312 113.495 115.700 0.179 0.000 2.819 77 S HA 0.118 4.606 4.470 0.029 0.000 0.249 77 S C -0.420 174.247 174.600 0.111 0.000 1.030 77 S CA -0.466 57.816 58.200 0.138 0.000 1.052 77 S CB 0.413 63.672 63.200 0.099 0.000 1.017 77 S HN 0.192 nan 8.310 nan 0.000 0.576 78 D N 1.877 122.369 120.400 0.154 0.000 2.378 78 D HA 0.433 5.090 4.640 0.029 0.000 0.265 78 D C -2.363 173.966 176.300 0.049 0.000 1.229 78 D CA -2.092 51.962 54.000 0.091 0.000 0.914 78 D CB 1.834 42.676 40.800 0.070 0.000 1.140 78 D HN -0.030 nan 8.370 nan 0.000 0.516 79 P HA -0.072 nan 4.420 nan 0.000 0.223 79 P C 1.135 178.391 177.300 -0.073 0.000 1.144 79 P CA 0.996 64.096 63.100 0.000 0.000 0.783 79 P CB 0.394 32.099 31.700 0.008 0.000 0.771 80 T N -1.273 113.214 114.554 -0.112 0.000 2.857 80 T HA -0.031 4.336 4.350 0.029 0.000 0.266 80 T C 1.772 176.300 174.700 -0.287 0.000 1.048 80 T CA 1.089 63.095 62.100 -0.157 0.000 1.139 80 T CB -0.235 68.552 68.868 -0.134 0.000 0.874 80 T HN 0.200 nan 8.240 nan 0.000 0.455 81 R N -0.438 119.769 120.500 -0.487 0.000 2.206 81 R HA 0.220 4.578 4.340 0.029 0.000 0.198 81 R C -0.556 175.021 176.300 -1.205 0.000 0.986 81 R CA 0.469 55.987 56.100 -0.968 0.000 1.029 81 R CB 0.421 29.892 30.300 -1.383 0.000 0.966 81 R HN 0.318 nan 8.270 nan 0.000 0.487 82 F N -0.045 119.808 119.950 -0.162 0.000 2.659 82 F HA 0.306 4.850 4.527 0.028 0.000 0.342 82 F C -0.064 175.662 175.800 -0.123 0.000 1.168 82 F CA -1.004 56.900 58.000 -0.160 0.000 1.003 82 F CB 1.669 40.547 39.000 -0.203 0.000 1.267 82 F HN -0.258 nan 8.300 nan 0.000 0.463 83 S N 0.979 116.693 115.700 0.024 0.000 2.617 83 S HA 0.415 4.903 4.470 0.029 0.000 0.283 83 S C 0.791 175.361 174.600 -0.050 0.000 1.189 83 S CA -0.450 57.742 58.200 -0.014 0.000 1.036 83 S CB 1.506 64.689 63.200 -0.028 0.000 1.014 83 S HN 0.512 nan 8.310 nan 0.000 0.522 84 S N 2.142 117.799 115.700 -0.073 0.000 2.650 84 S HA 0.053 4.540 4.470 0.029 0.000 0.219 84 S C 1.453 175.972 174.600 -0.134 0.000 0.960 84 S CA 0.139 58.233 58.200 -0.177 0.000 0.925 84 S CB -0.366 62.648 63.200 -0.311 0.000 0.775 84 S HN 0.846 nan 8.310 nan 0.000 0.525 85 E N 1.002 121.160 120.200 -0.069 0.000 2.049 85 E HA -0.147 4.220 4.350 0.029 0.000 0.198 85 E C -0.173 176.392 176.600 -0.059 0.000 1.007 85 E CA 0.993 57.366 56.400 -0.045 0.000 0.809 85 E CB 0.238 29.927 29.700 -0.018 0.000 0.749 85 E HN 0.201 nan 8.360 nan 0.000 0.450 86 V N 1.444 121.317 119.914 -0.067 0.000 2.448 86 V HA 0.166 4.304 4.120 0.029 0.000 0.295 86 V C 0.577 176.570 176.094 -0.169 0.000 1.025 86 V CA -0.318 61.934 62.300 -0.078 0.000 0.859 86 V CB 1.547 33.364 31.823 -0.010 0.000 0.988 86 V HN 0.324 nan 8.190 nan 0.000 0.431 87 I N -0.633 119.744 120.570 -0.321 0.000 4.327 87 I HA 0.487 4.675 4.170 0.029 0.000 0.331 87 I C -0.176 175.639 176.117 -0.504 0.000 1.348 87 I CA 0.351 61.355 61.300 -0.494 0.000 1.152 87 I CB 0.412 38.004 38.000 -0.681 0.000 1.151 87 I HN 0.301 nan 8.210 nan 0.000 0.410 88 F N 2.055 121.998 119.950 -0.011 0.000 2.507 88 F HA 0.719 5.263 4.527 0.028 0.000 0.327 88 F C -0.327 175.479 175.800 0.011 0.000 1.068 88 F CA -1.336 56.671 58.000 0.012 0.000 0.965 88 F CB 1.715 40.742 39.000 0.045 0.000 1.192 88 F HN -0.222 nan 8.300 nan 0.000 0.476 89 L N 4.144 125.515 121.223 0.247 0.000 2.362 89 L HA 0.521 4.878 4.340 0.029 0.000 0.275 89 L C -2.252 174.776 176.870 0.263 0.000 0.998 89 L CA -1.927 52.997 54.840 0.141 0.000 0.820 89 L CB 2.361 44.376 42.059 -0.072 0.000 1.270 89 L HN 0.393 nan 8.230 nan 0.000 0.415 90 P HA 0.119 nan 4.420 nan 0.000 0.274 90 P C -0.003 177.381 177.300 0.140 0.000 1.246 90 P CA -0.493 62.702 63.100 0.159 0.000 0.795 90 P CB 0.925 32.708 31.700 0.138 0.000 1.006 91 K N -0.407 120.064 120.400 0.119 0.000 2.293 91 K HA -0.168 4.169 4.320 0.029 0.000 0.204 91 K C 0.598 177.266 176.600 0.114 0.000 1.045 91 K CA 1.459 57.811 56.287 0.109 0.000 0.933 91 K CB -0.061 32.497 32.500 0.096 0.000 0.736 91 K HN 0.547 nan 8.250 nan 0.000 0.463 96 K N 0.554 120.966 120.400 0.020 0.000 2.262 96 K HA 0.154 4.491 4.320 0.029 0.000 0.200 96 K C 0.096 176.512 176.600 -0.306 0.000 1.049 96 K CA 0.573 56.744 56.287 -0.193 0.000 0.979 96 K CB -0.232 32.050 32.500 -0.362 0.000 0.773 96 K HN 0.178 nan 8.250 nan 0.000 0.474 97 Y N 1.455 121.784 120.300 0.048 0.000 2.404 97 Y HA 0.145 4.713 4.550 0.030 0.000 0.344 97 Y C 1.584 177.525 175.900 0.068 0.000 0.970 97 Y CA -0.631 57.500 58.100 0.052 0.000 1.180 97 Y CB 1.301 39.791 38.460 0.051 0.000 1.138 97 Y HN -0.096 nan 8.280 nan 0.000 0.510 98 Q N 2.282 122.167 119.800 0.142 0.000 2.124 98 Q HA -0.120 4.237 4.340 0.029 0.000 0.202 98 Q C 0.858 176.923 176.000 0.108 0.000 0.977 98 Q CA 1.173 57.031 55.803 0.092 0.000 0.850 98 Q CB -0.006 28.754 28.738 0.037 0.000 0.901 98 Q HN 0.742 nan 8.270 nan 0.000 0.429 99 M N 0.469 120.152 119.600 0.138 0.000 2.206 99 M HA -0.169 4.328 4.480 0.029 0.000 0.197 99 M C -0.578 175.765 176.300 0.072 0.000 0.375 99 M CA 0.442 55.815 55.300 0.123 0.000 0.410 99 M CB -2.292 30.407 32.600 0.165 0.000 1.204 99 M HN 0.184 nan 8.290 nan 0.000 0.932 100 V N 1.814 121.735 119.914 0.011 0.000 2.673 100 V HA 0.264 4.402 4.120 0.029 0.000 0.303 100 V C -1.277 174.792 176.094 -0.042 0.000 1.046 100 V CA -0.288 61.963 62.300 -0.083 0.000 1.126 100 V CB 1.114 32.774 31.823 -0.272 0.000 0.934 100 V HN 0.422 nan 8.190 nan 0.000 0.487 101 P HA 0.159 nan 4.420 nan 0.000 0.269 101 P C 1.126 178.588 177.300 0.271 0.000 1.478 101 P CA 0.497 63.654 63.100 0.095 0.000 1.045 101 P CB 0.132 31.953 31.700 0.202 0.000 1.512 102 T N -2.060 112.605 114.554 0.186 0.000 2.918 102 T HA -0.120 4.247 4.350 0.029 0.000 0.271 102 T C 1.304 175.949 174.700 -0.092 0.000 1.104 102 T CA 1.179 63.336 62.100 0.095 0.000 1.114 102 T CB -0.682 68.209 68.868 0.039 0.000 0.855 102 T HN 0.189 nan 8.240 nan 0.000 0.518 103 K N -0.200 120.197 120.400 -0.006 0.000 2.387 103 K HA 0.376 4.713 4.320 0.029 0.000 0.203 103 K C 0.047 176.663 176.600 0.027 0.000 1.030 103 K CA -0.221 56.034 56.287 -0.054 0.000 1.099 103 K CB 0.373 32.844 32.500 -0.049 0.000 0.863 103 K HN 0.406 nan 8.250 nan 0.000 0.529 104 M N 1.239 120.920 119.600 0.136 0.000 2.342 104 M HA 0.139 4.637 4.480 0.029 0.000 0.332 104 M C -0.183 176.227 176.300 0.183 0.000 1.166 104 M CA -0.142 55.251 55.300 0.155 0.000 1.086 104 M CB 0.929 33.646 32.600 0.194 0.000 1.541 104 M HN -0.064 nan 8.290 nan 0.000 0.462 105 D N 1.852 122.323 120.400 0.118 0.000 2.387 105 D HA 0.422 5.080 4.640 0.029 0.000 0.255 105 D C -2.448 173.906 176.300 0.091 0.000 1.081 105 D CA -1.326 52.722 54.000 0.081 0.000 0.994 105 D CB 0.547 41.374 40.800 0.045 0.000 1.127 105 D HN 0.193 nan 8.370 nan 0.000 0.513 106 P HA 0.118 nan 4.420 nan 0.000 0.268 106 P C -1.782 175.551 177.300 0.054 0.000 1.204 106 P CA -0.766 62.380 63.100 0.076 0.000 0.768 106 P CB 0.200 31.925 31.700 0.043 0.000 0.842 107 P HA 0.103 nan 4.420 nan 0.000 0.257 107 P C 0.806 178.166 177.300 0.099 0.000 1.241 107 P CA 0.484 63.624 63.100 0.067 0.000 0.816 107 P CB 0.526 32.250 31.700 0.040 0.000 1.150 108 E N 0.063 120.338 120.200 0.125 0.000 2.097 108 E HA -0.237 4.131 4.350 0.029 0.000 0.196 108 E C 2.009 178.767 176.600 0.264 0.000 1.000 108 E CA 1.378 57.883 56.400 0.176 0.000 0.804 108 E CB -1.023 28.773 29.700 0.160 0.000 0.740 108 E HN 0.475 nan 8.360 nan 0.000 0.454 109 H N -0.311 118.834 119.070 0.125 0.000 2.421 109 H HA -0.054 4.520 4.556 0.029 0.000 0.298 109 H C 1.653 177.057 175.328 0.127 0.000 1.087 109 H CA 1.986 58.108 56.048 0.124 0.000 1.330 109 H CB -0.126 29.631 29.762 -0.009 0.000 1.388 109 H HN 0.071 nan 8.280 nan 0.000 0.526 110 T N 1.472 116.034 114.554 0.013 0.000 2.708 110 T HA -0.072 4.295 4.350 0.029 0.000 0.266 110 T C -0.588 174.028 174.700 -0.141 0.000 1.037 110 T CA 1.546 63.589 62.100 -0.096 0.000 1.146 110 T CB -0.856 68.007 68.868 -0.008 0.000 0.865 110 T HN 0.455 nan 8.240 nan 0.000 0.435 111 P HA 0.008 nan 4.420 nan 0.000 0.220 111 P C 0.792 177.923 177.300 -0.283 0.000 1.152 111 P CA 0.997 63.961 63.100 -0.226 0.000 0.812 111 P CB -0.201 31.322 31.700 -0.295 0.000 0.792 112 Y N 0.018 120.253 120.300 -0.109 0.000 2.200 112 Y HA -0.153 4.415 4.550 0.030 0.000 0.290 112 Y C 2.810 178.624 175.900 -0.143 0.000 1.137 112 Y CA 1.007 59.051 58.100 -0.094 0.000 1.163 112 Y CB -0.637 37.788 38.460 -0.058 0.000 0.988 112 Y HN -0.199 nan 8.280 nan 0.000 0.518 113 R N 1.598 122.004 120.500 -0.157 0.000 2.096 113 R HA -0.175 4.183 4.340 0.029 0.000 0.235 113 R C 2.028 178.266 176.300 -0.104 0.000 1.127 113 R CA 1.846 57.815 56.100 -0.218 0.000 0.968 113 R CB -0.439 29.564 30.300 -0.494 0.000 0.861 113 R HN 0.272 nan 8.270 nan 0.000 0.440 114 K N 0.093 120.429 120.400 -0.108 0.000 2.057 114 K HA 0.050 4.388 4.320 0.029 0.000 0.207 114 K C 1.785 178.356 176.600 -0.049 0.000 1.049 114 K CA 1.849 58.092 56.287 -0.073 0.000 0.931 114 K CB -0.715 31.736 32.500 -0.081 0.000 0.714 114 K HN 0.132 nan 8.250 nan 0.000 0.440 115 A N 1.394 124.184 122.820 -0.049 0.000 1.883 115 A HA -0.095 4.243 4.320 0.029 0.000 0.217 115 A C 2.305 179.897 177.584 0.012 0.000 1.186 115 A CA 1.829 53.856 52.037 -0.016 0.000 0.624 115 A CB -0.880 18.119 19.000 -0.003 0.000 0.822 115 A HN 0.346 nan 8.150 nan 0.000 0.444 116 L N -0.290 120.949 121.223 0.026 0.000 2.043 116 L HA -0.237 4.121 4.340 0.029 0.000 0.212 116 L C 1.947 178.833 176.870 0.028 0.000 1.075 116 L CA 1.678 56.542 54.840 0.040 0.000 0.752 116 L CB -0.860 41.228 42.059 0.047 0.000 0.891 116 L HN 0.359 nan 8.230 nan 0.000 0.432 117 D N 0.024 120.430 120.400 0.009 0.000 2.264 117 D HA -0.128 4.529 4.640 0.029 0.000 0.208 117 D C 2.072 178.379 176.300 0.011 0.000 0.966 117 D CA 0.777 54.786 54.000 0.014 0.000 0.864 117 D CB -0.092 40.711 40.800 0.005 0.000 0.933 117 D HN 0.371 nan 8.370 nan 0.000 0.499 118 K N 0.336 120.738 120.400 0.003 0.000 2.152 118 K HA -0.069 4.268 4.320 0.029 0.000 0.206 118 K C 2.000 178.604 176.600 0.007 0.000 1.048 118 K CA 1.238 57.525 56.287 -0.001 0.000 0.933 118 K CB -0.130 32.367 32.500 -0.006 0.000 0.721 118 K HN 0.136 nan 8.250 nan 0.000 0.447 119 G N 0.088 108.899 108.800 0.020 0.000 2.838 119 G HA2 0.048 4.025 3.960 0.029 0.000 0.210 119 G HA3 0.048 4.025 3.960 0.029 0.000 0.210 119 G C 1.174 176.095 174.900 0.037 0.000 1.153 119 G CA -0.126 44.990 45.100 0.026 0.000 0.778 119 G HN 0.080 nan 8.290 nan 0.000 0.539 120 L N 0.763 122.012 121.223 0.044 0.000 2.966 120 L HA 0.215 4.572 4.340 0.029 0.000 0.262 120 L C 0.840 177.773 176.870 0.105 0.000 1.165 120 L CA -0.357 54.523 54.840 0.067 0.000 0.978 120 L CB 0.069 42.162 42.059 0.058 0.000 1.337 120 L HN 0.242 nan 8.230 nan 0.000 0.563 121 N N 0.806 119.541 118.700 0.057 0.000 2.340 121 N HA -0.073 4.684 4.740 0.029 0.000 0.236 121 N C 1.082 176.527 175.510 -0.107 0.000 1.296 121 N CA -0.218 52.836 53.050 0.008 0.000 0.896 121 N CB 1.689 40.155 38.487 -0.036 0.000 1.127 121 N HN 0.092 nan 8.380 nan 0.000 0.442 122 L N 1.006 121.981 121.223 -0.413 0.000 2.042 122 L HA -0.234 4.123 4.340 0.029 0.000 0.210 122 L C 2.560 179.326 176.870 -0.172 0.000 1.076 122 L CA 2.038 56.607 54.840 -0.452 0.000 0.749 122 L CB -0.531 41.150 42.059 -0.630 0.000 0.893 122 L HN 0.846 nan 8.230 nan 0.000 0.432 123 A N -0.566 122.174 122.820 -0.133 0.000 1.930 123 A HA -0.241 4.096 4.320 0.029 0.000 0.217 123 A C 2.228 179.787 177.584 -0.041 0.000 1.175 123 A CA 1.808 53.802 52.037 -0.071 0.000 0.627 123 A CB -0.397 18.567 19.000 -0.060 0.000 0.815 123 A HN 0.373 nan 8.150 nan 0.000 0.443 124 K N -0.043 120.335 120.400 -0.037 0.000 2.025 124 K HA -0.046 4.291 4.320 0.029 0.000 0.207 124 K C 1.605 178.206 176.600 0.001 0.000 1.049 124 K CA 1.355 57.634 56.287 -0.014 0.000 0.933 124 K CB -0.305 32.191 32.500 -0.006 0.000 0.714 124 K HN 0.326 nan 8.250 nan 0.000 0.438 125 I N 1.268 121.842 120.570 0.008 0.000 2.361 125 I HA -0.212 3.976 4.170 0.029 0.000 0.251 125 I C 2.313 178.451 176.117 0.034 0.000 1.133 125 I CA 1.230 62.552 61.300 0.036 0.000 1.413 125 I CB -1.100 36.943 38.000 0.072 0.000 1.073 125 I HN 0.327 nan 8.210 nan 0.000 0.424 126 R N 1.693 122.202 120.500 0.015 0.000 2.119 126 R HA -0.224 4.133 4.340 0.029 0.000 0.246 126 R C 1.911 178.224 176.300 0.022 0.000 1.146 126 R CA 1.819 57.930 56.100 0.019 0.000 0.962 126 R CB -0.051 30.250 30.300 0.003 0.000 0.863 126 R HN 0.319 nan 8.270 nan 0.000 0.442 127 K N -0.611 119.797 120.400 0.014 0.000 2.459 127 K HA 0.027 4.364 4.320 0.029 0.000 0.193 127 K C 1.302 177.912 176.600 0.017 0.000 1.030 127 K CA 0.222 56.517 56.287 0.012 0.000 1.026 127 K CB 0.548 33.050 32.500 0.004 0.000 0.809 127 K HN 0.037 nan 8.250 nan 0.000 0.504 128 V N 0.810 120.739 119.914 0.026 0.000 3.621 128 V HA -0.034 4.104 4.120 0.029 0.000 0.285 128 V C 1.826 177.948 176.094 0.045 0.000 1.346 128 V CA 0.451 62.769 62.300 0.029 0.000 1.104 128 V CB 0.220 32.061 31.823 0.029 0.000 0.913 128 V HN 0.272 nan 8.190 nan 0.000 0.432 129 E N 0.353 120.585 120.200 0.053 0.000 2.097 129 E HA -0.290 4.078 4.350 0.029 0.000 0.196 129 E C 1.479 178.120 176.600 0.069 0.000 1.000 129 E CA 1.886 58.329 56.400 0.071 0.000 0.804 129 E CB 0.141 29.880 29.700 0.065 0.000 0.740 129 E HN 0.600 nan 8.360 nan 0.000 0.454 130 D N -0.015 120.414 120.400 0.049 0.000 2.149 130 D HA -0.083 4.574 4.640 0.029 0.000 0.201 130 D C 1.806 178.132 176.300 0.042 0.000 0.972 130 D CA 0.805 54.831 54.000 0.044 0.000 0.835 130 D CB -0.028 40.790 40.800 0.030 0.000 0.966 130 D HN 0.170 nan 8.370 nan 0.000 0.476 131 K N 0.441 120.861 120.400 0.033 0.000 2.026 131 K HA -0.066 4.272 4.320 0.029 0.000 0.208 131 K C 2.189 178.807 176.600 0.030 0.000 1.048 131 K CA 0.673 56.974 56.287 0.022 0.000 0.929 131 K CB -0.162 32.342 32.500 0.007 0.000 0.713 131 K HN -0.025 nan 8.250 nan 0.000 0.439 132 V N 1.507 121.452 119.914 0.053 0.000 2.287 132 V HA -0.270 3.868 4.120 0.029 0.000 0.248 132 V C 2.428 178.620 176.094 0.164 0.000 1.053 132 V CA 1.815 64.170 62.300 0.092 0.000 1.027 132 V CB -0.517 31.400 31.823 0.156 0.000 0.646 132 V HN 0.325 nan 8.190 nan 0.000 0.447 133 R N -0.251 120.334 120.500 0.143 0.000 2.096 133 R HA -0.197 4.160 4.340 0.029 0.000 0.235 133 R C 2.373 178.740 176.300 0.111 0.000 1.127 133 R CA 1.796 57.983 56.100 0.145 0.000 0.968 133 R CB -0.203 30.161 30.300 0.106 0.000 0.861 133 R HN 0.631 nan 8.270 nan 0.000 0.440 134 E N -0.302 119.940 120.200 0.070 0.000 2.106 134 E HA -0.138 4.229 4.350 0.029 0.000 0.192 134 E C 1.818 178.434 176.600 0.027 0.000 0.984 134 E CA 1.129 57.552 56.400 0.039 0.000 0.806 134 E CB 0.234 29.948 29.700 0.023 0.000 0.750 134 E HN 0.191 nan 8.360 nan 0.000 0.458 135 V N 1.069 121.000 119.914 0.028 0.000 2.270 135 V HA -0.262 3.875 4.120 0.029 0.000 0.245 135 V C 2.423 178.551 176.094 0.056 0.000 1.043 135 V CA 1.852 64.132 62.300 -0.034 0.000 1.014 135 V CB -0.745 30.994 31.823 -0.141 0.000 0.645 135 V HN 0.377 nan 8.190 nan 0.000 0.447 136 A N 0.796 123.779 122.820 0.272 0.000 1.883 136 A HA -0.251 4.086 4.320 0.029 0.000 0.217 136 A C 2.535 180.273 177.584 0.257 0.000 1.186 136 A CA 2.702 55.001 52.037 0.435 0.000 0.624 136 A CB -0.916 18.400 19.000 0.526 0.000 0.822 136 A HN 0.705 nan 8.150 nan 0.000 0.444 137 S N -0.952 114.827 115.700 0.132 0.000 2.423 137 S HA -0.090 4.398 4.470 0.029 0.000 0.231 137 S C 2.031 176.612 174.600 -0.032 0.000 1.014 137 S CA 1.455 59.677 58.200 0.037 0.000 0.965 137 S CB -0.533 62.680 63.200 0.021 0.000 0.785 137 S HN 0.415 nan 8.310 nan 0.000 0.495 138 S N 2.085 117.762 115.700 -0.037 0.000 2.338 138 S HA 0.112 4.599 4.470 0.029 0.000 0.218 138 S C 1.815 176.329 174.600 -0.143 0.000 1.032 138 S CA 1.347 59.492 58.200 -0.091 0.000 0.999 138 S CB -0.650 62.488 63.200 -0.103 0.000 0.905 138 S HN 0.475 nan 8.310 nan 0.000 0.439 139 L N 1.007 122.145 121.223 -0.142 0.000 1.990 139 L HA -0.185 4.172 4.340 0.029 0.000 0.213 139 L C 2.223 178.914 176.870 -0.297 0.000 1.072 139 L CA 1.443 56.204 54.840 -0.132 0.000 0.755 139 L CB -0.632 41.328 42.059 -0.166 0.000 0.889 139 L HN 0.319 nan 8.230 nan 0.000 0.432 140 I N -0.402 120.015 120.570 -0.254 0.000 2.361 140 I HA -0.291 3.896 4.170 0.029 0.000 0.251 140 I C 2.027 177.648 176.117 -0.826 0.000 1.133 140 I CA 1.277 62.140 61.300 -0.729 0.000 1.413 140 I CB -0.310 37.522 38.000 -0.280 0.000 1.073 140 I HN 0.282 nan 8.210 nan 0.000 0.424 141 D N 0.286 120.425 120.400 -0.435 0.000 2.178 141 D HA -0.141 4.516 4.640 0.029 0.000 0.202 141 D C 2.239 178.378 176.300 -0.267 0.000 0.974 141 D CA 1.080 54.909 54.000 -0.285 0.000 0.841 141 D CB 0.180 40.883 40.800 -0.160 0.000 0.953 141 D HN 0.125 nan 8.370 nan 0.000 0.478 142 S N -0.667 114.849 115.700 -0.307 0.000 2.387 142 S HA -0.182 4.305 4.470 0.029 0.000 0.230 142 S C 1.297 175.897 174.600 -0.001 0.000 1.035 142 S CA 1.477 59.602 58.200 -0.127 0.000 1.014 142 S CB -0.342 62.845 63.200 -0.022 0.000 0.836 142 S HN 0.600 nan 8.310 nan 0.000 0.466 143 F N -1.364 118.643 119.950 0.095 0.000 2.871 143 F HA 0.722 5.266 4.527 0.029 0.000 0.344 143 F C 1.690 177.659 175.800 0.282 0.000 1.078 143 F CA -0.481 57.618 58.000 0.165 0.000 1.149 143 F CB -0.557 38.576 39.000 0.221 0.000 1.087 143 F HN 0.044 nan 8.300 nan 0.000 0.557 144 A N 1.730 124.613 122.820 0.104 0.000 1.903 144 A HA -0.118 4.220 4.320 0.029 0.000 0.219 144 A C 2.440 180.271 177.584 0.411 0.000 1.191 144 A CA 2.660 54.815 52.037 0.198 0.000 0.638 144 A CB -1.344 17.575 19.000 -0.134 0.000 0.823 144 A HN 0.576 nan 8.150 nan 0.000 0.451 145 A N -0.948 121.997 122.820 0.207 0.000 2.015 145 A HA -0.108 4.229 4.320 0.029 0.000 0.219 145 A C 2.178 179.828 177.584 0.109 0.000 1.163 145 A CA 1.257 53.380 52.037 0.144 0.000 0.646 145 A CB -0.433 18.608 19.000 0.068 0.000 0.806 145 A HN 0.555 nan 8.150 nan 0.000 0.448 146 R N -1.430 119.139 120.500 0.115 0.000 2.148 146 R HA -0.018 4.339 4.340 0.029 0.000 0.227 146 R C 1.602 177.730 176.300 -0.287 0.000 1.103 146 R CA 0.781 56.858 56.100 -0.039 0.000 0.983 146 R CB -0.345 29.955 30.300 0.000 0.000 0.874 146 R HN 0.741 nan 8.270 nan 0.000 0.451 147 G N 1.681 110.128 108.800 -0.587 0.000 2.162 147 G HA2 -0.317 3.661 3.960 0.029 0.000 0.260 147 G HA3 -0.317 3.661 3.960 0.029 0.000 0.260 147 G C -0.192 173.689 174.900 -1.697 0.000 0.976 147 G CA 0.803 45.056 45.100 -1.412 0.000 0.655 147 G HN 0.548 nan 8.290 nan 0.000 0.533 148 E N -1.429 117.959 120.200 -1.352 0.000 2.375 148 E HA 0.619 4.986 4.350 0.029 0.000 0.280 148 E C -0.247 176.166 176.600 -0.311 0.000 0.972 148 E CA -0.713 55.203 56.400 -0.807 0.000 0.782 148 E CB 1.554 31.009 29.700 -0.407 0.000 1.229 148 E HN 1.138 nan 8.360 nan 0.000 0.439 149 C N -0.032 119.215 119.300 -0.089 0.000 3.321 149 C HA 0.610 5.087 4.460 0.029 0.000 0.329 149 C C -1.165 173.761 174.990 -0.107 0.000 1.394 149 C CA -0.960 57.969 59.018 -0.148 0.000 1.291 149 C CB 1.332 28.760 27.740 -0.520 0.000 1.606 149 C HN 0.872 nan 8.230 nan 0.000 0.463 150 D N 0.497 120.815 120.400 -0.137 0.000 2.365 150 D HA 0.207 4.864 4.640 0.029 0.000 0.237 150 D C 0.487 176.734 176.300 -0.088 0.000 1.190 150 D CA -0.631 53.311 54.000 -0.097 0.000 0.867 150 D CB 0.319 41.066 40.800 -0.089 0.000 1.050 150 D HN 0.549 nan 8.370 nan 0.000 0.491 151 F N 4.322 124.177 119.950 -0.159 0.000 2.134 151 F HA -0.154 4.390 4.527 0.029 0.000 0.299 151 F C 1.989 177.737 175.800 -0.086 0.000 1.097 151 F CA 1.725 59.633 58.000 -0.154 0.000 1.264 151 F CB 0.103 38.951 39.000 -0.252 0.000 1.001 151 F HN 0.470 nan 8.300 nan 0.000 0.479 152 A N 0.533 123.403 122.820 0.083 0.000 1.859 152 A HA -0.171 4.167 4.320 0.029 0.000 0.217 152 A C 2.359 179.899 177.584 -0.073 0.000 1.198 152 A CA 2.254 54.294 52.037 0.006 0.000 0.629 152 A CB -1.635 17.363 19.000 -0.003 0.000 0.830 152 A HN 0.513 nan 8.150 nan 0.000 0.446 153 A N -1.050 121.728 122.820 -0.070 0.000 2.016 153 A HA 0.027 4.364 4.320 0.029 0.000 0.217 153 A C 1.797 179.345 177.584 -0.060 0.000 1.162 153 A CA 1.323 53.325 52.037 -0.057 0.000 0.662 153 A CB -0.259 18.714 19.000 -0.044 0.000 0.812 153 A HN 0.628 nan 8.150 nan 0.000 0.450 154 E N -3.178 116.961 120.200 -0.102 0.000 2.452 154 E HA 0.109 4.476 4.350 0.029 0.000 0.197 154 E C 0.968 177.606 176.600 0.063 0.000 1.022 154 E CA 0.345 56.721 56.400 -0.038 0.000 0.890 154 E CB 0.171 29.790 29.700 -0.136 0.000 0.918 154 E HN 0.786 nan 8.360 nan 0.000 0.496 155 Y N -0.301 119.825 120.300 -0.290 0.000 3.011 155 Y HA 0.285 4.852 4.550 0.029 0.000 0.231 155 Y C 2.115 177.832 175.900 -0.305 0.000 0.983 155 Y CA 0.731 58.636 58.100 -0.326 0.000 1.429 155 Y CB -0.274 37.739 38.460 -0.746 0.000 1.491 155 Y HN -0.053 nan 8.280 nan 0.000 0.444 156 A N 0.763 123.415 122.820 -0.279 0.000 1.892 156 A HA -0.259 4.079 4.320 0.029 0.000 0.218 156 A C 1.878 179.490 177.584 0.048 0.000 1.188 156 A CA 2.410 54.429 52.037 -0.030 0.000 0.631 156 A CB -0.827 18.185 19.000 0.020 0.000 0.822 156 A HN 0.664 nan 8.150 nan 0.000 0.447 157 E N -1.354 118.845 120.200 -0.002 0.000 2.274 157 E HA -0.064 4.304 4.350 0.029 0.000 0.194 157 E C 1.470 178.094 176.600 0.040 0.000 0.996 157 E CA 0.472 56.886 56.400 0.024 0.000 0.840 157 E CB 0.002 29.701 29.700 -0.001 0.000 0.772 157 E HN 0.425 nan 8.360 nan 0.000 0.491 158 L N -0.828 120.413 121.223 0.030 0.000 2.298 158 L HA 0.031 4.388 4.340 0.029 0.000 0.209 158 L C 1.725 178.667 176.870 0.121 0.000 1.084 158 L CA 0.903 55.788 54.840 0.075 0.000 0.816 158 L CB -0.621 41.464 42.059 0.043 0.000 0.967 158 L HN 0.132 nan 8.230 nan 0.000 0.460 159 F N 2.083 121.935 119.950 -0.164 0.000 2.069 159 F HA -0.155 4.389 4.527 0.029 0.000 0.298 159 F C -0.544 175.272 175.800 0.026 0.000 1.113 159 F CA 1.701 59.592 58.000 -0.182 0.000 1.214 159 F CB -1.308 37.493 39.000 -0.332 0.000 0.978 159 F HN 0.123 nan 8.300 nan 0.000 0.474 160 P HA -0.162 nan 4.420 nan 0.000 0.216 160 P C 2.155 179.463 177.300 0.013 0.000 1.153 160 P CA 1.560 64.702 63.100 0.069 0.000 0.848 160 P CB -0.207 31.590 31.700 0.162 0.000 0.787 161 V N -0.522 119.408 119.914 0.026 0.000 2.295 161 V HA -0.286 3.851 4.120 0.029 0.000 0.246 161 V C 2.147 178.251 176.094 0.018 0.000 1.049 161 V CA 2.151 64.462 62.300 0.019 0.000 1.024 161 V CB -1.201 30.599 31.823 -0.039 0.000 0.648 161 V HN 0.091 nan 8.190 nan 0.000 0.447 162 H N -1.056 117.964 119.070 -0.083 0.000 2.422 162 H HA -0.129 4.444 4.556 0.029 0.000 0.298 162 H C 2.151 177.390 175.328 -0.148 0.000 1.098 162 H CA 2.167 58.146 56.048 -0.115 0.000 1.315 162 H CB -0.060 29.599 29.762 -0.171 0.000 1.382 162 H HN 0.366 nan 8.280 nan 0.000 0.523 163 V N -0.156 119.688 119.914 -0.116 0.000 2.488 163 V HA -0.194 3.944 4.120 0.029 0.000 0.246 163 V C 1.987 178.082 176.094 0.003 0.000 1.046 163 V CA 1.439 63.650 62.300 -0.148 0.000 1.053 163 V CB -0.539 31.095 31.823 -0.316 0.000 0.679 163 V HN 0.364 nan 8.190 nan 0.000 0.458 164 F N 0.589 120.492 119.950 -0.078 0.000 2.095 164 F HA -0.238 4.306 4.527 0.029 0.000 0.298 164 F C 2.390 178.185 175.800 -0.009 0.000 1.104 164 F CA 1.827 59.810 58.000 -0.028 0.000 1.232 164 F CB -0.225 38.762 39.000 -0.022 0.000 0.987 164 F HN 0.058 nan 8.300 nan 0.000 0.475 165 M N 0.577 120.152 119.600 -0.042 0.000 2.080 165 M HA -0.196 4.302 4.480 0.029 0.000 0.260 165 M C 2.530 178.745 176.300 -0.141 0.000 1.068 165 M CA 1.844 57.076 55.300 -0.113 0.000 1.109 165 M CB -2.292 30.274 32.600 -0.057 0.000 1.342 165 M HN 0.312 nan 8.290 nan 0.000 0.405 166 A N 0.333 123.096 122.820 -0.095 0.000 1.898 166 A HA -0.065 4.273 4.320 0.029 0.000 0.216 166 A C 2.345 179.865 177.584 -0.106 0.000 1.181 166 A CA 1.170 53.161 52.037 -0.076 0.000 0.620 166 A CB -0.760 18.214 19.000 -0.044 0.000 0.819 166 A HN 0.476 nan 8.150 nan 0.000 0.442 167 L N -1.370 119.767 121.223 -0.142 0.000 2.179 167 L HA -0.055 4.303 4.340 0.029 0.000 0.208 167 L C 2.581 179.318 176.870 -0.222 0.000 1.096 167 L CA 1.117 55.872 54.840 -0.142 0.000 0.779 167 L CB -0.455 41.551 42.059 -0.089 0.000 0.922 167 L HN 0.444 nan 8.230 nan 0.000 0.443 168 A N -1.092 121.482 122.820 -0.410 0.000 2.345 168 A HA 0.008 4.345 4.320 0.029 0.000 0.225 168 A C 0.363 177.810 177.584 -0.229 0.000 1.243 168 A CA 0.013 51.799 52.037 -0.418 0.000 0.875 168 A CB -0.203 18.281 19.000 -0.859 0.000 0.929 168 A HN 0.441 nan 8.150 nan 0.000 0.502 169 D N -0.909 119.388 120.400 -0.170 0.000 3.038 169 D HA -0.127 4.530 4.640 0.029 0.000 0.229 169 D C -1.005 175.254 176.300 -0.069 0.000 1.182 169 D CA 0.540 54.483 54.000 -0.095 0.000 0.852 169 D CB -1.160 39.598 40.800 -0.070 0.000 0.932 169 D HN 0.121 nan 8.370 nan 0.000 0.406 170 L N 2.601 123.790 121.223 -0.057 0.000 2.370 170 L HA 0.645 5.002 4.340 0.029 0.000 0.266 170 L C -1.883 174.998 176.870 0.018 0.000 1.002 170 L CA -2.104 52.743 54.840 0.011 0.000 0.818 170 L CB 1.472 43.569 42.059 0.063 0.000 1.325 170 L HN 0.039 nan 8.230 nan 0.000 0.418 171 P HA 0.177 nan 4.420 nan 0.000 0.267 171 P C 1.152 178.462 177.300 0.016 0.000 1.209 171 P CA -0.121 62.998 63.100 0.031 0.000 0.763 171 P CB 0.523 32.251 31.700 0.047 0.000 0.816 172 L N 2.346 123.564 121.223 -0.008 0.000 2.349 172 L HA -0.175 4.182 4.340 0.029 0.000 0.220 172 L C 1.862 178.703 176.870 -0.048 0.000 1.130 172 L CA 1.373 56.186 54.840 -0.044 0.000 0.791 172 L CB -0.466 41.582 42.059 -0.018 0.000 0.918 172 L HN 0.499 nan 8.230 nan 0.000 0.444 173 E N -1.279 118.914 120.200 -0.012 0.000 2.494 173 E HA -0.091 4.276 4.350 0.029 0.000 0.193 173 E C 0.267 176.861 176.600 -0.009 0.000 1.074 173 E CA 0.337 56.732 56.400 -0.009 0.000 0.867 173 E CB -0.052 29.651 29.700 0.006 0.000 0.924 173 E HN 0.395 nan 8.360 nan 0.000 0.502 174 D N 0.626 121.023 120.400 -0.006 0.000 2.369 174 D HA 0.201 4.859 4.640 0.029 0.000 0.211 174 D C 1.732 177.967 176.300 -0.108 0.000 1.077 174 D CA -0.158 53.832 54.000 -0.017 0.000 0.842 174 D CB 0.081 40.932 40.800 0.085 0.000 0.947 174 D HN 0.176 nan 8.370 nan 0.000 0.509 175 I N 1.594 122.094 120.570 -0.116 0.000 2.145 175 I HA -0.244 3.943 4.170 0.029 0.000 0.244 175 I C -0.623 175.405 176.117 -0.149 0.000 1.075 175 I CA 1.413 62.619 61.300 -0.157 0.000 1.332 175 I CB -1.176 36.688 38.000 -0.227 0.000 1.033 175 I HN 0.037 nan 8.210 nan 0.000 0.410 176 P HA -0.163 nan 4.420 nan 0.000 0.215 176 P C 1.998 179.178 177.300 -0.201 0.000 1.157 176 P CA 1.170 64.194 63.100 -0.128 0.000 0.868 176 P CB 0.001 31.647 31.700 -0.089 0.000 0.788 177 V N -0.567 119.201 119.914 -0.243 0.000 2.427 177 V HA -0.183 3.954 4.120 0.029 0.000 0.248 177 V C 2.113 177.842 176.094 -0.610 0.000 1.051 177 V CA 1.635 63.679 62.300 -0.427 0.000 1.048 177 V CB -1.045 30.579 31.823 -0.332 0.000 0.666 177 V HN -0.029 nan 8.190 nan 0.000 0.456 178 L N -0.309 120.679 121.223 -0.392 0.000 2.156 178 L HA -0.075 4.282 4.340 0.029 0.000 0.208 178 L C 2.634 179.386 176.870 -0.197 0.000 1.095 178 L CA 1.532 56.221 54.840 -0.252 0.000 0.770 178 L CB -0.733 41.237 42.059 -0.148 0.000 0.914 178 L HN 0.294 nan 8.230 nan 0.000 0.439 179 S N -0.158 115.427 115.700 -0.190 0.000 2.356 179 S HA -0.250 4.237 4.470 0.029 0.000 0.223 179 S C 1.843 176.364 174.600 -0.133 0.000 1.032 179 S CA 1.634 59.750 58.200 -0.140 0.000 1.005 179 S CB -0.245 62.889 63.200 -0.111 0.000 0.867 179 S HN 0.474 nan 8.310 nan 0.000 0.449 180 E N 0.635 120.725 120.200 -0.183 0.000 2.033 180 E HA -0.226 4.142 4.350 0.029 0.000 0.199 180 E C 1.756 178.323 176.600 -0.056 0.000 1.011 180 E CA 1.550 57.858 56.400 -0.153 0.000 0.815 180 E CB -0.379 29.187 29.700 -0.223 0.000 0.755 180 E HN 0.739 nan 8.360 nan 0.000 0.451 181 Y N 0.116 120.385 120.300 -0.050 0.000 2.207 181 Y HA -0.227 4.341 4.550 0.030 0.000 0.287 181 Y C 2.559 178.387 175.900 -0.121 0.000 1.156 181 Y CA 0.217 58.289 58.100 -0.046 0.000 1.182 181 Y CB -0.248 38.230 38.460 0.029 0.000 0.979 181 Y HN 0.233 nan 8.280 nan 0.000 0.521 182 A N 0.509 123.313 122.820 -0.025 0.000 1.877 182 A HA -0.218 4.119 4.320 0.029 0.000 0.216 182 A C 2.273 179.804 177.584 -0.089 0.000 1.186 182 A CA 1.460 53.422 52.037 -0.127 0.000 0.620 182 A CB -0.603 18.295 19.000 -0.169 0.000 0.822 182 A HN 0.248 nan 8.150 nan 0.000 0.443 183 R N 0.092 120.555 120.500 -0.062 0.000 2.094 183 R HA -0.196 4.161 4.340 0.029 0.000 0.239 183 R C 2.199 178.471 176.300 -0.048 0.000 1.137 183 R CA 2.391 58.460 56.100 -0.052 0.000 0.943 183 R CB -0.792 29.482 30.300 -0.044 0.000 0.850 183 R HN 0.765 nan 8.270 nan 0.000 0.433 184 Q N -0.704 119.083 119.800 -0.022 0.000 2.124 184 Q HA -0.069 4.288 4.340 0.029 0.000 0.202 184 Q C 2.251 178.206 176.000 -0.075 0.000 0.977 184 Q CA 1.753 57.541 55.803 -0.025 0.000 0.850 184 Q CB -0.084 28.670 28.738 0.027 0.000 0.901 184 Q HN 0.344 nan 8.270 nan 0.000 0.429 185 M N -0.120 119.424 119.600 -0.095 0.000 2.254 185 M HA -0.096 4.402 4.480 0.029 0.000 0.265 185 M C 2.106 178.309 176.300 -0.162 0.000 1.066 185 M CA 1.654 56.857 55.300 -0.162 0.000 1.123 185 M CB -0.021 32.467 32.600 -0.187 0.000 1.388 185 M HN 0.372 nan 8.290 nan 0.000 0.425 186 T N -1.854 112.625 114.554 -0.125 0.000 3.046 186 T HA 0.112 4.479 4.350 0.029 0.000 0.242 186 T C 0.928 175.572 174.700 -0.093 0.000 1.018 186 T CA -0.177 61.857 62.100 -0.109 0.000 1.131 186 T CB 0.048 68.864 68.868 -0.087 0.000 0.904 186 T HN 0.335 nan 8.240 nan 0.000 0.459 187 R N 2.454 122.905 120.500 -0.082 0.000 2.651 187 R HA 0.406 4.764 4.340 0.029 0.000 0.282 187 R C -2.939 173.316 176.300 -0.076 0.000 1.565 187 R CA -1.925 54.130 56.100 -0.076 0.000 1.661 187 R CB 0.694 30.955 30.300 -0.066 0.000 1.189 187 R HN 0.344 nan 8.270 nan 0.000 0.621 188 P HA 0.033 nan 4.420 nan 0.000 0.270 188 P C -0.397 176.866 177.300 -0.063 0.000 1.227 188 P CA 0.141 63.198 63.100 -0.071 0.000 0.788 188 P CB 1.055 32.706 31.700 -0.081 0.000 0.926 194 E N 1.198 121.396 120.200 -0.004 0.000 2.663 194 E HA 0.191 4.559 4.350 0.029 0.000 0.240 194 E C -0.668 175.931 176.600 -0.003 0.000 1.227 194 E CA -0.016 56.380 56.400 -0.007 0.000 1.528 194 E CB 0.311 30.008 29.700 -0.004 0.000 1.472 194 E HN 0.487 nan 8.360 nan 0.000 0.433 195 E N 1.050 121.248 120.200 -0.003 0.000 2.593 195 E HA 0.179 4.547 4.350 0.029 0.000 0.232 195 E C 0.737 177.336 176.600 -0.001 0.000 1.026 195 E CA 0.051 56.453 56.400 0.003 0.000 0.772 195 E CB 0.382 30.086 29.700 0.007 0.000 1.310 195 E HN 0.154 nan 8.360 nan 0.000 0.413 196 M N 1.159 120.757 119.600 -0.004 0.000 2.371 196 M HA 0.334 4.832 4.480 0.029 0.000 0.246 196 M C 1.649 177.956 176.300 0.011 0.000 1.103 196 M CA 0.013 55.307 55.300 -0.009 0.000 1.010 196 M CB 0.472 33.054 32.600 -0.030 0.000 1.457 196 M HN 0.342 nan 8.290 nan 0.000 0.486 197 A N 1.702 124.539 122.820 0.029 0.000 1.892 197 A HA -0.155 4.182 4.320 0.029 0.000 0.218 197 A C 2.285 179.905 177.584 0.061 0.000 1.188 197 A CA 2.669 54.742 52.037 0.061 0.000 0.631 197 A CB -1.231 17.799 19.000 0.048 0.000 0.822 197 A HN 0.487 nan 8.150 nan 0.000 0.447 198 T N -0.727 113.848 114.554 0.036 0.000 2.821 198 T HA -0.100 4.268 4.350 0.029 0.000 0.267 198 T C 1.688 176.405 174.700 0.028 0.000 1.046 198 T CA 1.495 63.615 62.100 0.033 0.000 1.139 198 T CB -0.326 68.555 68.868 0.022 0.000 0.871 198 T HN 0.552 nan 8.240 nan 0.000 0.454 199 D N 0.837 121.245 120.400 0.015 0.000 2.103 199 D HA 0.036 4.693 4.640 0.029 0.000 0.199 199 D C 2.118 178.411 176.300 -0.011 0.000 0.978 199 D CA 0.651 54.653 54.000 0.003 0.000 0.829 199 D CB -0.326 40.468 40.800 -0.011 0.000 0.981 199 D HN 0.238 nan 8.370 nan 0.000 0.464 200 L N 0.677 121.883 121.223 -0.029 0.000 1.990 200 L HA -0.202 4.155 4.340 0.029 0.000 0.213 200 L C 2.542 179.368 176.870 -0.073 0.000 1.072 200 L CA 1.740 56.522 54.840 -0.096 0.000 0.755 200 L CB -0.495 41.503 42.059 -0.101 0.000 0.889 200 L HN 0.202 nan 8.230 nan 0.000 0.432 201 E N -0.014 120.219 120.200 0.054 0.000 2.110 201 E HA -0.262 4.106 4.350 0.029 0.000 0.193 201 E C 2.120 178.738 176.600 0.030 0.000 0.988 201 E CA 1.158 57.618 56.400 0.101 0.000 0.804 201 E CB 0.023 29.797 29.700 0.123 0.000 0.745 201 E HN 0.492 nan 8.360 nan 0.000 0.458 202 A N 1.050 123.884 122.820 0.022 0.000 1.883 202 A HA -0.139 4.198 4.320 0.029 0.000 0.217 202 A C 2.446 180.020 177.584 -0.017 0.000 1.186 202 A CA 1.994 54.046 52.037 0.025 0.000 0.624 202 A CB -1.418 17.620 19.000 0.063 0.000 0.822 202 A HN 0.467 nan 8.150 nan 0.000 0.444 203 G N -0.091 108.710 108.800 0.002 0.000 2.480 203 G HA2 -0.309 3.669 3.960 0.029 0.000 0.216 203 G HA3 -0.309 3.669 3.960 0.029 0.000 0.216 203 G C 1.496 176.338 174.900 -0.097 0.000 1.200 203 G CA 1.105 46.203 45.100 -0.003 0.000 0.782 203 G HN 0.532 nan 8.290 nan 0.000 0.554 204 N N 1.322 119.975 118.700 -0.079 0.000 2.058 204 N HA -0.103 4.655 4.740 0.029 0.000 0.191 204 N C 2.097 177.643 175.510 0.060 0.000 1.037 204 N CA 1.354 54.400 53.050 -0.007 0.000 0.848 204 N CB -0.511 37.949 38.487 -0.046 0.000 1.021 204 N HN 0.181 nan 8.380 nan 0.000 0.422 205 N N 0.431 119.136 118.700 0.008 0.000 2.166 205 N HA -0.067 4.691 4.740 0.029 0.000 0.186 205 N C 1.774 177.238 175.510 -0.076 0.000 1.019 205 N CA 1.145 54.188 53.050 -0.012 0.000 0.856 205 N CB -0.749 37.721 38.487 -0.029 0.000 0.993 205 N HN 0.310 nan 8.380 nan 0.000 0.426 206 G N -0.480 108.117 108.800 -0.339 0.000 2.402 206 G HA2 -0.223 3.754 3.960 0.029 0.000 0.216 206 G HA3 -0.223 3.754 3.960 0.029 0.000 0.216 206 G C 1.431 175.873 174.900 -0.764 0.000 1.162 206 G CA 0.175 44.782 45.100 -0.822 0.000 0.777 206 G HN 0.327 nan 8.290 nan 0.000 0.539 207 F N -0.120 119.416 119.950 -0.690 0.000 2.113 207 F HA -0.023 4.521 4.527 0.028 0.000 0.297 207 F C 2.370 178.227 175.800 0.095 0.000 1.103 207 F CA 1.369 59.292 58.000 -0.128 0.000 1.248 207 F CB -0.156 38.826 39.000 -0.031 0.000 0.999 207 F HN 0.178 nan 8.300 nan 0.000 0.475 208 Y N 1.039 121.301 120.300 -0.064 0.000 2.081 208 Y HA -0.333 4.234 4.550 0.029 0.000 0.280 208 Y C 2.386 178.236 175.900 -0.084 0.000 1.163 208 Y CA 1.890 59.948 58.100 -0.071 0.000 1.135 208 Y CB -1.106 37.366 38.460 0.020 0.000 0.970 208 Y HN 0.104 nan 8.280 nan 0.000 0.498 209 A N -0.661 122.313 122.820 0.256 0.000 1.908 209 A HA -0.281 4.057 4.320 0.029 0.000 0.218 209 A C 2.207 179.817 177.584 0.043 0.000 1.181 209 A CA 1.807 53.942 52.037 0.163 0.000 0.627 209 A CB -1.705 17.381 19.000 0.143 0.000 0.818 209 A HN 0.754 nan 8.150 nan 0.000 0.445 210 Y N 1.097 121.356 120.300 -0.069 0.000 2.128 210 Y HA -0.245 4.322 4.550 0.029 0.000 0.284 210 Y C 2.387 178.173 175.900 -0.190 0.000 1.154 210 Y CA 2.601 60.662 58.100 -0.065 0.000 1.149 210 Y CB -0.173 38.322 38.460 0.057 0.000 0.976 210 Y HN 0.199 nan 8.280 nan 0.000 0.505 211 V N -2.478 117.241 119.914 -0.325 0.000 2.788 211 V HA -0.092 4.046 4.120 0.029 0.000 0.251 211 V C 1.850 177.759 176.094 -0.308 0.000 1.068 211 V CA 1.605 63.682 62.300 -0.372 0.000 1.090 211 V CB -0.968 30.604 31.823 -0.420 0.000 0.710 211 V HN 0.357 nan 8.190 nan 0.000 0.467 212 D N 2.140 122.355 120.400 -0.307 0.000 2.204 212 D HA -0.186 4.472 4.640 0.029 0.000 0.189 212 D C 0.022 176.268 176.300 -0.090 0.000 1.006 212 D CA 2.990 56.879 54.000 -0.185 0.000 0.855 212 D CB -0.799 39.924 40.800 -0.129 0.000 0.946 212 D HN 0.450 nan 8.370 nan 0.000 0.448 213 P HA -0.063 nan 4.420 nan 0.000 0.219 213 P C 1.576 178.812 177.300 -0.106 0.000 1.150 213 P CA 1.045 64.086 63.100 -0.099 0.000 0.814 213 P CB -0.159 31.475 31.700 -0.110 0.000 0.787 214 I N -0.721 119.754 120.570 -0.158 0.000 2.286 214 I HA -0.205 3.982 4.170 0.029 0.000 0.248 214 I C 2.616 178.682 176.117 -0.085 0.000 1.115 214 I CA 1.155 62.376 61.300 -0.132 0.000 1.392 214 I CB -0.743 37.157 38.000 -0.168 0.000 1.065 214 I HN -0.182 nan 8.210 nan 0.000 0.418 215 I N 0.857 121.377 120.570 -0.083 0.000 2.127 215 I HA -0.306 3.882 4.170 0.029 0.000 0.241 215 I C 2.794 178.913 176.117 0.004 0.000 1.075 215 I CA 1.663 62.935 61.300 -0.046 0.000 1.334 215 I CB -0.358 37.594 38.000 -0.080 0.000 1.040 215 I HN 0.163 nan 8.210 nan 0.000 0.405 216 R N 0.678 121.191 120.500 0.021 0.000 2.092 216 R HA -0.059 4.299 4.340 0.029 0.000 0.231 216 R C 2.248 178.541 176.300 -0.012 0.000 1.119 216 R CA 1.345 57.453 56.100 0.013 0.000 0.970 216 R CB -0.481 29.815 30.300 -0.007 0.000 0.864 216 R HN 0.348 nan 8.270 nan 0.000 0.440 217 A N 1.070 123.873 122.820 -0.028 0.000 2.167 217 A HA -0.025 4.312 4.320 0.029 0.000 0.214 217 A C 1.796 179.363 177.584 -0.027 0.000 1.151 217 A CA 0.655 52.673 52.037 -0.031 0.000 0.735 217 A CB -0.042 18.932 19.000 -0.043 0.000 0.802 217 A HN 0.168 nan 8.150 nan 0.000 0.467 218 R N -0.952 119.532 120.500 -0.026 0.000 2.282 218 R HA 0.175 4.532 4.340 0.029 0.000 0.195 218 R C -0.076 176.215 176.300 -0.014 0.000 0.909 218 R CA -0.102 55.983 56.100 -0.024 0.000 1.039 218 R CB 0.058 30.339 30.300 -0.032 0.000 1.015 218 R HN 0.278 nan 8.270 nan 0.000 0.513 219 V N 1.606 121.516 119.914 -0.006 0.000 2.726 219 V HA -0.099 4.039 4.120 0.029 0.000 0.304 219 V C 1.464 177.555 176.094 -0.005 0.000 1.115 219 V CA 1.918 64.218 62.300 -0.000 0.000 1.264 219 V CB 0.447 32.276 31.823 0.010 0.000 0.867 219 V HN 0.812 nan 8.190 nan 0.000 0.498 220 G N 3.393 112.190 108.800 -0.006 0.000 2.184 220 G HA2 -0.174 3.803 3.960 0.029 0.000 0.264 220 G HA3 -0.174 3.803 3.960 0.029 0.000 0.264 220 G C 0.558 175.452 174.900 -0.010 0.000 0.975 220 G CA 0.206 45.302 45.100 -0.007 0.000 0.642 220 G HN 1.436 nan 8.290 nan 0.000 0.536 221 G N -0.158 108.634 108.800 -0.012 0.000 2.562 221 G HA2 0.501 4.478 3.960 0.029 0.000 0.275 221 G HA3 0.501 4.478 3.960 0.029 0.000 0.275 221 G C 0.579 175.471 174.900 -0.014 0.000 1.196 221 G CA 0.570 45.661 45.100 -0.014 0.000 0.908 221 G HN 0.517 nan 8.290 nan 0.000 0.524 222 D N -0.966 119.425 120.400 -0.015 0.000 2.469 222 D HA 0.134 4.792 4.640 0.029 0.000 0.213 222 D C 1.132 177.422 176.300 -0.016 0.000 1.135 222 D CA -0.085 53.906 54.000 -0.014 0.000 0.834 222 D CB -0.090 40.703 40.800 -0.013 0.000 1.009 222 D HN 0.508 nan 8.370 nan 0.000 0.507 223 G N 1.279 110.068 108.800 -0.019 0.000 2.527 223 G HA2 0.285 4.263 3.960 0.029 0.000 0.248 223 G HA3 0.285 4.263 3.960 0.029 0.000 0.248 223 G C 0.230 175.118 174.900 -0.021 0.000 1.231 223 G CA -0.335 44.752 45.100 -0.021 0.000 0.838 223 G HN 0.141 nan 8.290 nan 0.000 0.570 224 D N -0.245 120.142 120.400 -0.022 0.000 2.615 224 D HA 0.078 4.735 4.640 0.029 0.000 0.236 224 D C 0.103 176.387 176.300 -0.025 0.000 1.233 224 D CA -0.593 53.395 54.000 -0.020 0.000 0.829 224 D CB -0.214 40.577 40.800 -0.016 0.000 1.024 224 D HN 0.496 nan 8.370 nan 0.000 0.490 225 D N -0.951 119.428 120.400 -0.035 0.000 2.354 225 D HA 0.110 4.767 4.640 0.029 0.000 0.247 225 D C 1.548 177.822 176.300 -0.043 0.000 1.138 225 D CA -0.781 53.187 54.000 -0.052 0.000 0.958 225 D CB 1.389 42.146 40.800 -0.071 0.000 1.144 225 D HN -0.059 nan 8.370 nan 0.000 0.458 226 L N 0.165 121.354 121.223 -0.056 0.000 2.079 226 L HA -0.141 4.216 4.340 0.029 0.000 0.210 226 L C 2.224 179.095 176.870 0.002 0.000 1.081 226 L CA 0.958 55.788 54.840 -0.016 0.000 0.752 226 L CB -0.498 41.557 42.059 -0.006 0.000 0.896 226 L HN 0.568 nan 8.230 nan 0.000 0.433 227 I N -0.418 120.140 120.570 -0.020 0.000 2.163 227 I HA -0.285 3.903 4.170 0.029 0.000 0.240 227 I C 2.858 178.968 176.117 -0.012 0.000 1.081 227 I CA 1.896 63.194 61.300 -0.005 0.000 1.353 227 I CB -0.472 37.515 38.000 -0.021 0.000 1.054 227 I HN 0.348 nan 8.210 nan 0.000 0.407 228 T N 0.425 114.966 114.554 -0.022 0.000 2.720 228 T HA -0.183 4.185 4.350 0.029 0.000 0.268 228 T C 1.968 176.662 174.700 -0.011 0.000 1.037 228 T CA 1.192 63.281 62.100 -0.018 0.000 1.144 228 T CB -0.305 68.550 68.868 -0.021 0.000 0.864 228 T HN 0.047 nan 8.240 nan 0.000 0.444 229 L N 0.656 121.874 121.223 -0.008 0.000 2.013 229 L HA -0.008 4.350 4.340 0.029 0.000 0.212 229 L C 2.743 179.615 176.870 0.004 0.000 1.073 229 L CA 1.903 56.742 54.840 -0.003 0.000 0.753 229 L CB -1.009 41.050 42.059 -0.000 0.000 0.890 229 L HN 0.348 nan 8.230 nan 0.000 0.432 230 M N -1.029 118.580 119.600 0.015 0.000 2.099 230 M HA -0.089 4.409 4.480 0.029 0.000 0.262 230 M C 2.402 178.709 176.300 0.012 0.000 1.067 230 M CA 1.783 57.098 55.300 0.025 0.000 1.124 230 M CB -1.533 31.096 32.600 0.048 0.000 1.353 230 M HN 0.319 nan 8.290 nan 0.000 0.410 231 V N -0.639 119.275 119.914 0.001 0.000 2.490 231 V HA -0.180 3.957 4.120 0.029 0.000 0.250 231 V C 0.906 177.001 176.094 0.001 0.000 1.061 231 V CA 1.936 64.233 62.300 -0.004 0.000 1.064 231 V CB -1.411 30.404 31.823 -0.013 0.000 0.670 231 V HN 0.461 nan 8.190 nan 0.000 0.461 232 N N 0.990 119.689 118.700 -0.003 0.000 2.466 232 N HA 0.245 5.002 4.740 0.029 0.000 0.251 232 N C -0.193 175.310 175.510 -0.012 0.000 1.164 232 N CA -0.016 53.030 53.050 -0.006 0.000 0.888 232 N CB 0.264 38.746 38.487 -0.008 0.000 1.177 232 N HN 0.433 nan 8.380 nan 0.000 0.498 233 S N 0.231 115.923 115.700 -0.014 0.000 2.593 233 S HA 0.313 4.801 4.470 0.029 0.000 0.297 233 S C -0.065 174.510 174.600 -0.042 0.000 1.112 233 S CA -0.763 57.419 58.200 -0.029 0.000 1.043 233 S CB 1.755 64.937 63.200 -0.031 0.000 1.054 233 S HN 0.181 nan 8.310 nan 0.000 0.516 234 E N 1.273 121.436 120.200 -0.061 0.000 2.191 234 E HA 0.451 4.818 4.350 0.029 0.000 0.274 234 E C -0.999 175.524 176.600 -0.129 0.000 0.948 234 E CA -0.619 55.736 56.400 -0.074 0.000 0.802 234 E CB 1.149 30.815 29.700 -0.056 0.000 1.137 234 E HN 0.285 nan 8.360 nan 0.000 0.397 235 I N 2.780 123.266 120.570 -0.141 0.000 2.476 235 I HA 0.150 4.338 4.170 0.029 0.000 0.281 235 I C -0.031 176.010 176.117 -0.126 0.000 1.040 235 I CA -0.438 60.731 61.300 -0.219 0.000 1.094 235 I CB 0.732 38.543 38.000 -0.316 0.000 1.219 235 I HN 0.713 nan 8.210 nan 0.000 0.450 236 N N 4.937 123.572 118.700 -0.108 0.000 2.714 236 N HA -0.231 4.527 4.740 0.029 0.000 0.253 236 N C 1.146 176.631 175.510 -0.041 0.000 1.024 236 N CA 0.710 53.724 53.050 -0.060 0.000 0.726 236 N CB -0.439 38.025 38.487 -0.039 0.000 0.908 236 N HN 1.152 nan 8.380 nan 0.000 0.542 237 G N -0.616 108.158 108.800 -0.043 0.000 2.267 237 G HA2 -0.326 3.651 3.960 0.029 0.000 0.257 237 G HA3 -0.326 3.651 3.960 0.029 0.000 0.257 237 G C -0.061 174.824 174.900 -0.025 0.000 0.998 237 G CA 0.988 46.070 45.100 -0.030 0.000 0.620 237 G HN 0.583 nan 8.290 nan 0.000 0.529 238 E N -0.099 120.085 120.200 -0.027 0.000 2.212 238 E HA 0.594 4.961 4.350 0.029 0.000 0.270 238 E C 0.362 176.949 176.600 -0.022 0.000 0.956 238 E CA -0.999 55.391 56.400 -0.017 0.000 0.825 238 E CB 1.369 31.066 29.700 -0.005 0.000 1.167 238 E HN 0.288 nan 8.360 nan 0.000 0.400 239 R N 1.964 122.459 120.500 -0.010 0.000 2.590 239 R HA 0.156 4.513 4.340 0.029 0.000 0.274 239 R C 0.049 176.352 176.300 0.005 0.000 1.061 239 R CA -0.251 55.845 56.100 -0.006 0.000 1.081 239 R CB 0.410 30.712 30.300 0.003 0.000 0.984 239 R HN 0.596 nan 8.270 nan 0.000 0.448 240 I N 3.437 124.009 120.570 0.002 0.000 2.775 240 I HA -0.055 4.132 4.170 0.029 0.000 0.290 240 I C 0.192 176.347 176.117 0.063 0.000 1.203 240 I CA 0.276 61.591 61.300 0.025 0.000 1.433 240 I CB 0.598 38.614 38.000 0.027 0.000 1.354 240 I HN 0.815 nan 8.210 nan 0.000 0.579 241 A N 5.943 128.819 122.820 0.093 0.000 2.587 241 A HA -0.136 4.202 4.320 0.029 0.000 0.235 241 A C 1.196 178.854 177.584 0.124 0.000 1.044 241 A CA 0.708 52.816 52.037 0.118 0.000 0.754 241 A CB -0.105 18.974 19.000 0.132 0.000 0.968 241 A HN 1.031 nan 8.150 nan 0.000 0.509 242 H N 1.492 120.596 119.070 0.057 0.000 2.292 242 H HA -0.242 4.331 4.556 0.029 0.000 0.292 242 H C 1.738 177.103 175.328 0.062 0.000 1.100 242 H CA 3.024 59.098 56.048 0.043 0.000 1.238 242 H CB 0.162 29.947 29.762 0.037 0.000 1.355 242 H HN 0.859 nan 8.280 nan 0.000 0.484 243 D N -0.595 119.876 120.400 0.118 0.000 2.234 243 D HA -0.117 4.540 4.640 0.029 0.000 0.205 243 D C 1.643 177.992 176.300 0.082 0.000 0.962 243 D CA 0.639 54.715 54.000 0.126 0.000 0.855 243 D CB -0.024 40.932 40.800 0.259 0.000 0.951 243 D HN 0.240 nan 8.370 nan 0.000 0.500 244 K N 1.100 121.557 120.400 0.097 0.000 2.097 244 K HA 0.051 4.389 4.320 0.029 0.000 0.205 244 K C 2.258 178.921 176.600 0.105 0.000 1.050 244 K CA 1.189 57.551 56.287 0.125 0.000 0.938 244 K CB -0.693 31.953 32.500 0.242 0.000 0.718 244 K HN 0.260 nan 8.250 nan 0.000 0.442 245 A N 0.845 123.692 122.820 0.046 0.000 1.933 245 A HA -0.213 4.125 4.320 0.029 0.000 0.218 245 A C 2.239 179.801 177.584 -0.037 0.000 1.175 245 A CA 1.624 53.661 52.037 0.000 0.000 0.628 245 A CB -0.384 18.580 19.000 -0.060 0.000 0.814 245 A HN 0.322 nan 8.150 nan 0.000 0.444 246 Q N -0.627 119.104 119.800 -0.114 0.000 2.046 246 Q HA -0.042 4.315 4.340 0.029 0.000 0.200 246 Q C 2.112 178.165 176.000 0.089 0.000 0.975 246 Q CA 1.815 57.565 55.803 -0.088 0.000 0.836 246 Q CB -0.639 28.007 28.738 -0.153 0.000 0.896 246 Q HN 0.595 nan 8.270 nan 0.000 0.428 247 G N 0.203 109.069 108.800 0.111 0.000 2.440 247 G HA2 -0.256 3.721 3.960 0.029 0.000 0.218 247 G HA3 -0.256 3.721 3.960 0.029 0.000 0.218 247 G C 1.191 176.165 174.900 0.123 0.000 1.154 247 G CA 0.842 46.020 45.100 0.130 0.000 0.767 247 G HN 0.267 nan 8.290 nan 0.000 0.552 248 L N 0.401 121.694 121.223 0.116 0.000 2.056 248 L HA 0.134 4.491 4.340 0.029 0.000 0.207 248 L C 2.806 179.766 176.870 0.149 0.000 1.078 248 L CA 1.034 55.950 54.840 0.127 0.000 0.749 248 L CB -0.577 41.563 42.059 0.135 0.000 0.901 248 L HN 0.220 nan 8.230 nan 0.000 0.433 249 I N -1.634 119.042 120.570 0.176 0.000 2.315 249 I HA -0.286 3.901 4.170 0.029 0.000 0.248 249 I C 2.664 178.974 176.117 0.322 0.000 1.117 249 I CA 1.339 62.802 61.300 0.272 0.000 1.404 249 I CB -0.306 37.855 38.000 0.267 0.000 1.071 249 I HN 0.303 nan 8.210 nan 0.000 0.419 250 S N 1.195 117.077 115.700 0.303 0.000 2.356 250 S HA -0.209 4.278 4.470 0.029 0.000 0.223 250 S C 2.144 176.724 174.600 -0.034 0.000 1.032 250 S CA 1.288 59.574 58.200 0.144 0.000 1.005 250 S CB -0.503 62.840 63.200 0.237 0.000 0.867 250 S HN 0.329 nan 8.310 nan 0.000 0.449 251 L N 1.805 123.057 121.223 0.049 0.000 2.021 251 L HA -0.064 4.294 4.340 0.029 0.000 0.215 251 L C 2.294 179.180 176.870 0.026 0.000 1.074 251 L CA 1.889 56.753 54.840 0.040 0.000 0.760 251 L CB -0.896 41.212 42.059 0.083 0.000 0.889 251 L HN 0.471 nan 8.230 nan 0.000 0.433 252 L N -1.450 119.820 121.223 0.079 0.000 2.081 252 L HA -0.249 4.108 4.340 0.029 0.000 0.212 252 L C 2.476 179.340 176.870 -0.009 0.000 1.080 252 L CA 1.286 56.197 54.840 0.118 0.000 0.754 252 L CB -0.706 41.514 42.059 0.268 0.000 0.893 252 L HN 0.403 nan 8.230 nan 0.000 0.433 253 L N -0.801 120.249 121.223 -0.287 0.000 1.988 253 L HA -0.180 4.177 4.340 0.029 0.000 0.207 253 L C 2.287 178.912 176.870 -0.408 0.000 1.071 253 L CA 1.693 56.075 54.840 -0.763 0.000 0.744 253 L CB -0.415 40.925 42.059 -1.199 0.000 0.893 253 L HN -0.003 nan 8.230 nan 0.000 0.433 254 L N 0.313 121.362 121.223 -0.290 0.000 1.976 254 L HA -0.068 4.289 4.340 0.029 0.000 0.209 254 L C 2.652 179.481 176.870 -0.068 0.000 1.071 254 L CA 2.107 56.844 54.840 -0.172 0.000 0.746 254 L CB -2.107 39.874 42.059 -0.129 0.000 0.890 254 L HN 0.414 nan 8.230 nan 0.000 0.432 255 G N -1.092 107.696 108.800 -0.020 0.000 2.507 255 G HA2 -0.245 3.732 3.960 0.029 0.000 0.221 255 G HA3 -0.245 3.732 3.960 0.029 0.000 0.221 255 G C 1.375 176.306 174.900 0.053 0.000 1.119 255 G CA 0.919 46.042 45.100 0.038 0.000 0.751 255 G HN 0.548 nan 8.290 nan 0.000 0.574 256 G N -0.830 107.993 108.800 0.038 0.000 3.284 256 G HA2 0.429 4.406 3.960 0.029 0.000 0.236 256 G HA3 0.429 4.406 3.960 0.029 0.000 0.236 256 G C 1.049 176.002 174.900 0.088 0.000 1.158 256 G CA -0.066 45.084 45.100 0.084 0.000 0.774 256 G HN 0.396 nan 8.290 nan 0.000 0.545 257 L N -1.123 120.125 121.223 0.040 0.000 2.864 257 L HA 0.336 4.694 4.340 0.029 0.000 0.177 257 L C 2.209 179.126 176.870 0.078 0.000 1.341 257 L CA 0.303 55.163 54.840 0.033 0.000 0.892 257 L CB 0.209 42.232 42.059 -0.060 0.000 1.290 257 L HN -0.022 nan 8.230 nan 0.000 0.545 258 D N -0.535 119.896 120.400 0.052 0.000 2.149 258 D HA -0.189 4.468 4.640 0.029 0.000 0.198 258 D C 2.022 178.401 176.300 0.132 0.000 0.990 258 D CA 1.842 55.887 54.000 0.075 0.000 0.839 258 D CB 0.069 40.895 40.800 0.044 0.000 0.948 258 D HN 0.511 nan 8.370 nan 0.000 0.460 259 T N -2.134 112.508 114.554 0.147 0.000 2.746 259 T HA -0.104 4.263 4.350 0.029 0.000 0.267 259 T C 2.156 177.025 174.700 0.283 0.000 1.039 259 T CA 1.235 63.453 62.100 0.196 0.000 1.142 259 T CB -0.682 68.284 68.868 0.163 0.000 0.866 259 T HN -0.024 nan 8.240 nan 0.000 0.444 260 V N 1.216 121.292 119.914 0.270 0.000 2.407 260 V HA -0.060 4.078 4.120 0.029 0.000 0.245 260 V C 2.922 179.219 176.094 0.338 0.000 1.041 260 V CA 0.823 63.336 62.300 0.355 0.000 1.040 260 V CB -0.594 31.446 31.823 0.360 0.000 0.671 260 V HN 0.344 nan 8.190 nan 0.000 0.455 261 V N 1.113 121.175 119.914 0.245 0.000 2.250 261 V HA -0.316 3.821 4.120 0.029 0.000 0.250 261 V C 2.278 178.473 176.094 0.169 0.000 1.060 261 V CA 2.516 64.926 62.300 0.183 0.000 1.030 261 V CB -0.776 31.115 31.823 0.114 0.000 0.643 261 V HN 0.599 nan 8.190 nan 0.000 0.445 262 N N -1.012 117.805 118.700 0.194 0.000 2.251 262 N HA -0.055 4.702 4.740 0.029 0.000 0.181 262 N C 1.776 177.467 175.510 0.301 0.000 1.019 262 N CA 1.245 54.392 53.050 0.162 0.000 0.862 262 N CB -0.290 38.321 38.487 0.206 0.000 0.992 262 N HN 0.508 nan 8.380 nan 0.000 0.429 263 F N 2.474 122.609 119.950 0.309 0.000 2.126 263 F HA -0.099 4.445 4.527 0.029 0.000 0.299 263 F C 2.150 178.044 175.800 0.156 0.000 1.096 263 F CA 1.120 59.336 58.000 0.360 0.000 1.255 263 F CB -0.286 38.935 39.000 0.369 0.000 0.997 263 F HN -0.085 nan 8.300 nan 0.000 0.479 264 L N -0.740 120.591 121.223 0.179 0.000 2.012 264 L HA -0.268 4.089 4.340 0.029 0.000 0.210 264 L C 2.592 178.986 176.870 -0.794 0.000 1.073 264 L CA 1.597 56.243 54.840 -0.323 0.000 0.748 264 L CB -1.029 41.088 42.059 0.097 0.000 0.891 264 L HN 0.078 nan 8.230 nan 0.000 0.431 265 S N -0.423 115.091 115.700 -0.310 0.000 2.359 265 S HA -0.168 4.320 4.470 0.029 0.000 0.224 265 S C 1.797 176.070 174.600 -0.546 0.000 1.035 265 S CA 1.401 59.363 58.200 -0.396 0.000 1.018 265 S CB -0.405 62.665 63.200 -0.217 0.000 0.876 265 S HN 0.204 nan 8.310 nan 0.000 0.448 266 F N 1.689 121.366 119.950 -0.456 0.000 2.091 266 F HA -0.137 4.407 4.527 0.029 0.000 0.299 266 F C 2.053 177.264 175.800 -0.982 0.000 1.103 266 F CA 1.390 59.087 58.000 -0.504 0.000 1.228 266 F CB -0.923 37.865 39.000 -0.354 0.000 0.984 266 F HN 0.392 nan 8.300 nan 0.000 0.477 267 F N -1.971 117.323 119.950 -1.093 0.000 2.293 267 F HA -0.054 4.490 4.527 0.029 0.000 0.297 267 F C 1.985 177.457 175.800 -0.548 0.000 1.089 267 F CA 0.673 57.976 58.000 -1.161 0.000 1.377 267 F CB -1.158 37.243 39.000 -0.997 0.000 1.051 267 F HN -0.180 nan 8.300 nan 0.000 0.511 268 M N 1.132 120.158 119.600 -0.957 0.000 2.117 268 M HA -0.106 4.391 4.480 0.029 0.000 0.262 268 M C 2.371 178.498 176.300 -0.288 0.000 1.065 268 M CA 1.404 56.237 55.300 -0.778 0.000 1.114 268 M CB -1.181 30.432 32.600 -1.644 0.000 1.361 268 M HN 0.333 nan 8.290 nan 0.000 0.408 269 I N -0.884 119.535 120.570 -0.251 0.000 2.091 269 I HA -0.386 3.801 4.170 0.029 0.000 0.239 269 I C 2.527 178.672 176.117 0.046 0.000 1.061 269 I CA 1.803 63.083 61.300 -0.034 0.000 1.317 269 I CB -0.648 37.326 38.000 -0.043 0.000 1.031 269 I HN 0.322 nan 8.210 nan 0.000 0.401 270 H N 0.798 119.852 119.070 -0.026 0.000 2.319 270 H HA -0.195 4.378 4.556 0.029 0.000 0.297 270 H C 2.167 177.588 175.328 0.155 0.000 1.097 270 H CA 1.989 58.101 56.048 0.107 0.000 1.285 270 H CB -0.069 29.778 29.762 0.142 0.000 1.368 270 H HN 0.196 nan 8.280 nan 0.000 0.495 271 L N -0.616 120.736 121.223 0.215 0.000 2.093 271 L HA -0.119 4.239 4.340 0.029 0.000 0.208 271 L C 2.851 179.662 176.870 -0.098 0.000 1.085 271 L CA 0.773 55.709 54.840 0.160 0.000 0.755 271 L CB -0.596 41.630 42.059 0.279 0.000 0.904 271 L HN 0.408 nan 8.230 nan 0.000 0.435 272 A N 0.494 123.290 122.820 -0.040 0.000 1.948 272 A HA -0.219 4.119 4.320 0.029 0.000 0.220 272 A C 2.265 179.781 177.584 -0.113 0.000 1.177 272 A CA 1.668 53.612 52.037 -0.155 0.000 0.636 272 A CB -0.454 18.709 19.000 0.271 0.000 0.815 272 A HN 0.401 nan 8.150 nan 0.000 0.449 273 R N -1.483 118.995 120.500 -0.037 0.000 2.317 273 R HA 0.102 4.459 4.340 0.029 0.000 0.208 273 R C -0.443 175.690 176.300 -0.277 0.000 0.914 273 R CA 0.287 56.312 56.100 -0.124 0.000 1.060 273 R CB 0.048 30.262 30.300 -0.143 0.000 1.015 273 R HN 0.606 nan 8.270 nan 0.000 0.498 274 H N -0.093 118.872 119.070 -0.174 0.000 2.380 274 H HA 0.158 4.731 4.556 0.029 0.000 0.231 274 H C -1.822 173.446 175.328 -0.100 0.000 1.415 274 H CA -1.972 54.007 56.048 -0.116 0.000 1.433 274 H CB 0.962 30.679 29.762 -0.074 0.000 1.544 274 H HN -0.045 nan 8.280 nan 0.000 0.503 275 P HA -0.198 nan 4.420 nan 0.000 0.219 275 P C 1.320 178.615 177.300 -0.008 0.000 1.146 275 P CA 1.099 64.152 63.100 -0.079 0.000 0.808 275 P CB 0.857 32.511 31.700 -0.077 0.000 0.779 276 E N -0.101 120.114 120.200 0.024 0.000 2.072 276 E HA -0.055 4.312 4.350 0.029 0.000 0.190 276 E C 2.109 178.751 176.600 0.070 0.000 0.982 276 E CA 0.444 56.870 56.400 0.043 0.000 0.803 276 E CB -1.096 28.630 29.700 0.045 0.000 0.755 276 E HN 0.098 nan 8.360 nan 0.000 0.453 277 L N -0.333 120.962 121.223 0.119 0.000 2.131 277 L HA -0.164 4.193 4.340 0.029 0.000 0.210 277 L C 1.991 178.914 176.870 0.088 0.000 1.092 277 L CA 0.755 55.681 54.840 0.143 0.000 0.759 277 L CB -0.042 42.152 42.059 0.225 0.000 0.903 277 L HN 0.104 nan 8.230 nan 0.000 0.435 278 V N -0.249 119.708 119.914 0.071 0.000 2.358 278 V HA -0.282 3.856 4.120 0.029 0.000 0.246 278 V C 2.722 178.843 176.094 0.045 0.000 1.047 278 V CA 1.660 63.998 62.300 0.063 0.000 1.035 278 V CB -0.799 31.046 31.823 0.036 0.000 0.658 278 V HN 0.573 nan 8.190 nan 0.000 0.452 279 A N -0.748 122.093 122.820 0.034 0.000 1.908 279 A HA -0.287 4.050 4.320 0.029 0.000 0.218 279 A C 2.257 179.845 177.584 0.006 0.000 1.181 279 A CA 2.084 54.137 52.037 0.026 0.000 0.627 279 A CB -0.528 18.487 19.000 0.024 0.000 0.818 279 A HN 0.603 nan 8.150 nan 0.000 0.445 280 E N -0.304 119.896 120.200 0.000 0.000 2.038 280 E HA -0.194 4.174 4.350 0.029 0.000 0.195 280 E C 2.001 178.547 176.600 -0.090 0.000 1.000 280 E CA 1.407 57.791 56.400 -0.026 0.000 0.803 280 E CB -0.224 29.474 29.700 -0.003 0.000 0.750 280 E HN 0.656 nan 8.360 nan 0.000 0.448 281 L N 0.085 121.217 121.223 -0.153 0.000 2.017 281 L HA -0.176 4.181 4.340 0.029 0.000 0.208 281 L C 2.851 179.658 176.870 -0.105 0.000 1.073 281 L CA 1.174 55.878 54.840 -0.226 0.000 0.745 281 L CB -0.415 41.477 42.059 -0.279 0.000 0.894 281 L HN 0.088 nan 8.230 nan 0.000 0.432 282 R N 0.071 120.548 120.500 -0.038 0.000 2.127 282 R HA -0.170 4.188 4.340 0.029 0.000 0.238 282 R C 2.466 178.759 176.300 -0.011 0.000 1.134 282 R CA 1.699 57.798 56.100 -0.001 0.000 0.975 282 R CB -0.059 30.261 30.300 0.033 0.000 0.865 282 R HN 0.485 nan 8.270 nan 0.000 0.447 283 S N -1.421 114.267 115.700 -0.020 0.000 2.486 283 S HA -0.025 4.462 4.470 0.029 0.000 0.220 283 S C 0.399 174.985 174.600 -0.023 0.000 1.011 283 S CA 0.182 58.373 58.200 -0.014 0.000 0.921 283 S CB 0.506 63.701 63.200 -0.008 0.000 0.785 283 S HN 0.148 nan 8.310 nan 0.000 0.517 284 D N 1.761 122.134 120.400 -0.045 0.000 2.441 284 D HA 0.439 5.097 4.640 0.029 0.000 0.287 284 D C -2.123 174.139 176.300 -0.063 0.000 1.198 284 D CA -2.395 51.577 54.000 -0.047 0.000 0.894 284 D CB 1.395 42.168 40.800 -0.045 0.000 1.070 284 D HN -0.054 nan 8.370 nan 0.000 0.499 285 P HA -0.223 nan 4.420 nan 0.000 0.219 285 P C 1.659 178.940 177.300 -0.031 0.000 1.158 285 P CA 0.844 63.924 63.100 -0.033 0.000 0.895 285 P CB 0.358 32.051 31.700 -0.012 0.000 0.792 286 L N -0.586 120.626 121.223 -0.019 0.000 2.093 286 L HA -0.110 4.247 4.340 0.029 0.000 0.208 286 L C 2.413 179.278 176.870 -0.009 0.000 1.085 286 L CA 1.839 56.676 54.840 -0.005 0.000 0.755 286 L CB -0.679 41.382 42.059 0.005 0.000 0.904 286 L HN -0.193 nan 8.230 nan 0.000 0.435 287 K N -0.358 120.023 120.400 -0.032 0.000 2.057 287 K HA -0.221 4.116 4.320 0.029 0.000 0.207 287 K C 2.190 178.721 176.600 -0.116 0.000 1.049 287 K CA 1.830 58.093 56.287 -0.040 0.000 0.931 287 K CB -0.305 32.158 32.500 -0.062 0.000 0.714 287 K HN 0.441 nan 8.250 nan 0.000 0.440 288 L N 0.874 121.973 121.223 -0.206 0.000 1.971 288 L HA -0.246 4.111 4.340 0.029 0.000 0.215 288 L C 2.627 179.456 176.870 -0.067 0.000 1.072 288 L CA 1.704 56.394 54.840 -0.250 0.000 0.758 288 L CB -0.303 41.648 42.059 -0.180 0.000 0.889 288 L HN 0.389 nan 8.230 nan 0.000 0.433 289 M N -0.704 118.883 119.600 -0.022 0.000 2.159 289 M HA -0.189 4.308 4.480 0.029 0.000 0.263 289 M C 2.053 178.390 176.300 0.061 0.000 1.063 289 M CA 1.647 56.963 55.300 0.026 0.000 1.110 289 M CB -0.570 32.046 32.600 0.027 0.000 1.374 289 M HN 0.286 nan 8.290 nan 0.000 0.411 290 R N -0.610 119.930 120.500 0.067 0.000 2.299 290 R HA 0.121 4.478 4.340 0.029 0.000 0.197 290 R C 1.490 177.872 176.300 0.137 0.000 0.971 290 R CA 0.791 56.947 56.100 0.093 0.000 1.030 290 R CB -0.622 29.724 30.300 0.076 0.000 0.932 290 R HN 0.458 nan 8.270 nan 0.000 0.477 291 G N -0.275 108.653 108.800 0.213 0.000 3.707 291 G HA2 0.245 4.222 3.960 0.029 0.000 0.286 291 G HA3 0.245 4.222 3.960 0.029 0.000 0.286 291 G C 1.117 176.108 174.900 0.151 0.000 1.112 291 G CA 0.344 45.626 45.100 0.303 0.000 0.861 291 G HN 0.207 nan 8.290 nan 0.000 0.534 292 A N 0.643 123.513 122.820 0.083 0.000 1.898 292 A HA 0.001 4.339 4.320 0.029 0.000 0.216 292 A C 2.161 179.692 177.584 -0.089 0.000 1.181 292 A CA 1.366 53.368 52.037 -0.058 0.000 0.620 292 A CB -0.150 18.900 19.000 0.084 0.000 0.819 292 A HN 0.269 nan 8.150 nan 0.000 0.442 293 E N -0.258 120.025 120.200 0.138 0.000 2.130 293 E HA -0.234 4.133 4.350 0.029 0.000 0.196 293 E C 1.934 178.535 176.600 0.003 0.000 0.998 293 E CA 1.669 58.204 56.400 0.224 0.000 0.806 293 E CB -0.204 29.622 29.700 0.211 0.000 0.738 293 E HN 0.753 nan 8.360 nan 0.000 0.459 294 E N 0.319 120.432 120.200 -0.145 0.000 2.150 294 E HA -0.077 4.291 4.350 0.029 0.000 0.193 294 E C 2.051 178.400 176.600 -0.418 0.000 0.985 294 E CA 0.922 57.134 56.400 -0.314 0.000 0.814 294 E CB -0.139 29.271 29.700 -0.483 0.000 0.752 294 E HN 0.198 nan 8.360 nan 0.000 0.466 295 M N -0.826 118.544 119.600 -0.384 0.000 2.099 295 M HA -0.062 4.436 4.480 0.029 0.000 0.262 295 M C 1.832 178.092 176.300 -0.067 0.000 1.067 295 M CA 1.401 56.540 55.300 -0.269 0.000 1.124 295 M CB -0.353 32.062 32.600 -0.308 0.000 1.353 295 M HN 0.146 nan 8.290 nan 0.000 0.410 296 F N -0.292 119.651 119.950 -0.012 0.000 2.216 296 F HA -0.201 4.344 4.527 0.029 0.000 0.300 296 F C 2.679 178.124 175.800 -0.592 0.000 1.085 296 F CA 0.977 58.781 58.000 -0.326 0.000 1.326 296 F CB -0.457 38.104 39.000 -0.731 0.000 1.027 296 F HN 0.146 nan 8.300 nan 0.000 0.497 297 R N 0.716 120.951 120.500 -0.442 0.000 2.081 297 R HA -0.182 4.176 4.340 0.029 0.000 0.235 297 R C 2.355 178.363 176.300 -0.488 0.000 1.131 297 R CA 1.422 57.254 56.100 -0.447 0.000 0.960 297 R CB -0.171 29.958 30.300 -0.285 0.000 0.856 297 R HN 0.047 nan 8.270 nan 0.000 0.436 298 R N -0.072 120.033 120.500 -0.659 0.000 2.153 298 R HA -0.000 4.357 4.340 0.029 0.000 0.218 298 R C 0.033 175.537 176.300 -1.327 0.000 1.072 298 R CA 1.205 56.657 56.100 -1.079 0.000 0.990 298 R CB 0.081 29.522 30.300 -1.431 0.000 0.889 298 R HN 0.230 nan 8.270 nan 0.000 0.452 299 F N 0.751 120.461 119.950 -0.400 0.000 2.679 299 F HA 0.456 5.000 4.527 0.029 0.000 0.354 299 F C -2.125 173.695 175.800 0.033 0.000 1.423 299 F CA -2.577 55.147 58.000 -0.460 0.000 1.141 299 F CB 1.101 39.819 39.000 -0.470 0.000 1.168 299 F HN -0.153 nan 8.300 nan 0.000 0.530 300 P HA 0.041 nan 4.420 nan 0.000 0.272 300 P C 0.790 178.254 177.300 0.273 0.000 1.223 300 P CA 0.149 63.343 63.100 0.157 0.000 0.784 300 P CB 1.493 33.199 31.700 0.010 0.000 0.923 301 V N -0.604 119.406 119.914 0.161 0.000 3.562 301 V HA 0.193 4.331 4.120 0.029 0.000 0.270 301 V C 0.378 176.502 176.094 0.049 0.000 1.418 301 V CA 0.227 62.550 62.300 0.040 0.000 1.033 301 V CB 0.025 31.938 31.823 0.149 0.000 0.820 301 V HN 0.116 nan 8.190 nan 0.000 0.441 302 V N 2.657 122.628 119.914 0.094 0.000 2.539 302 V HA 0.705 4.842 4.120 0.029 0.000 0.292 302 V C 0.196 176.358 176.094 0.113 0.000 1.045 302 V CA 0.489 62.858 62.300 0.114 0.000 0.945 302 V CB 1.394 33.288 31.823 0.118 0.000 0.993 302 V HN 0.615 nan 8.190 nan 0.000 0.464 303 S N 2.156 117.929 115.700 0.123 0.000 2.312 303 S HA 0.478 4.965 4.470 0.029 0.000 0.173 303 S C -0.534 174.107 174.600 0.070 0.000 1.488 303 S CA -0.869 57.365 58.200 0.057 0.000 1.239 303 S CB 0.492 63.709 63.200 0.030 0.000 1.215 303 S HN 0.723 nan 8.310 nan 0.000 0.438 304 E N 1.419 121.659 120.200 0.066 0.000 3.188 304 E HA 0.806 5.173 4.350 0.029 0.000 0.262 304 E C 0.080 176.612 176.600 -0.114 0.000 1.341 304 E CA -0.841 55.576 56.400 0.028 0.000 1.140 304 E CB 0.971 30.675 29.700 0.008 0.000 1.306 304 E HN 0.744 nan 8.360 nan 0.000 0.694 305 A N 0.151 122.858 122.820 -0.189 0.000 2.527 305 A HA 0.686 5.024 4.320 0.029 0.000 0.293 305 A C -1.083 176.340 177.584 -0.267 0.000 1.117 305 A CA -0.735 51.173 52.037 -0.215 0.000 0.723 305 A CB 1.582 20.496 19.000 -0.142 0.000 1.313 305 A HN 0.303 nan 8.150 nan 0.000 0.411 306 R N 0.359 120.721 120.500 -0.229 0.000 2.778 306 R HA 0.487 4.845 4.340 0.029 0.000 0.277 306 R C -0.936 175.335 176.300 -0.048 0.000 0.977 306 R CA -0.744 55.257 56.100 -0.166 0.000 0.950 306 R CB 1.678 31.875 30.300 -0.172 0.000 1.165 306 R HN 0.868 nan 8.270 nan 0.000 0.474 307 M N 2.774 122.367 119.600 -0.012 0.000 2.113 307 M HA 0.193 4.690 4.480 0.029 0.000 0.352 307 M C -0.529 175.815 176.300 0.074 0.000 1.170 307 M CA -0.770 54.553 55.300 0.038 0.000 1.053 307 M CB 1.108 33.716 32.600 0.014 0.000 1.601 307 M HN 0.198 nan 8.290 nan 0.000 0.459 308 V N 6.011 125.995 119.914 0.116 0.000 2.555 308 V HA -0.111 4.027 4.120 0.029 0.000 0.299 308 V C 1.211 177.288 176.094 -0.029 0.000 1.012 308 V CA 0.918 63.258 62.300 0.067 0.000 1.180 308 V CB -0.072 31.788 31.823 0.061 0.000 0.887 308 V HN 1.062 nan 8.190 nan 0.000 0.476 309 A N 5.386 128.134 122.820 -0.120 0.000 2.072 309 A HA 0.144 4.482 4.320 0.029 0.000 0.216 309 A C 0.839 178.359 177.584 -0.106 0.000 1.156 309 A CA 0.900 52.872 52.037 -0.108 0.000 0.701 309 A CB 0.035 18.950 19.000 -0.142 0.000 0.816 309 A HN 0.900 nan 8.150 nan 0.000 0.458 310 K N -0.439 119.873 120.400 -0.147 0.000 2.578 310 K HA 0.352 4.689 4.320 0.029 0.000 0.269 310 K C -2.214 174.284 176.600 -0.170 0.000 0.941 310 K CA -0.942 55.269 56.287 -0.126 0.000 0.847 310 K CB 0.660 33.083 32.500 -0.129 0.000 1.397 310 K HN -0.142 nan 8.250 nan 0.000 0.422 311 D N 2.599 122.915 120.400 -0.139 0.000 2.506 311 D HA 0.007 4.665 4.640 0.029 0.000 0.234 311 D C -0.374 175.720 176.300 -0.342 0.000 1.143 311 D CA 1.124 54.962 54.000 -0.269 0.000 0.871 311 D CB 0.567 41.325 40.800 -0.070 0.000 1.190 311 D HN 0.541 nan 8.370 nan 0.000 0.459 312 Q N -0.481 118.964 119.800 -0.592 0.000 2.666 312 Q HA 0.307 4.664 4.340 0.029 0.000 0.276 312 Q C -1.265 174.497 176.000 -0.396 0.000 0.952 312 Q CA -0.980 54.603 55.803 -0.367 0.000 0.850 312 Q CB 1.229 29.797 28.738 -0.282 0.000 1.512 312 Q HN 0.330 nan 8.270 nan 0.000 0.395 313 E N 1.072 121.207 120.200 -0.108 0.000 2.301 313 E HA 0.442 4.809 4.350 0.029 0.000 0.275 313 E C -1.827 174.830 176.600 0.094 0.000 1.030 313 E CA -0.483 55.932 56.400 0.024 0.000 0.852 313 E CB 0.931 30.701 29.700 0.117 0.000 1.060 313 E HN 0.550 nan 8.360 nan 0.000 0.401 314 Y N 3.191 123.437 120.300 -0.091 0.000 2.424 314 Y HA 0.151 4.718 4.550 0.029 0.000 0.323 314 Y C -0.893 174.951 175.900 -0.094 0.000 1.174 314 Y CA -1.109 56.948 58.100 -0.071 0.000 1.060 314 Y CB 1.036 39.472 38.460 -0.040 0.000 1.314 314 Y HN 0.570 nan 8.280 nan 0.000 0.439 315 K N 4.082 124.084 120.400 -0.665 0.000 3.016 315 K HA -0.217 4.121 4.320 0.029 0.000 0.262 315 K C 0.867 177.321 176.600 -0.244 0.000 1.043 315 K CA 1.489 57.442 56.287 -0.558 0.000 0.761 315 K CB -1.677 30.365 32.500 -0.762 0.000 1.230 315 K HN 1.745 nan 8.250 nan 0.000 0.485 316 G N -2.071 106.648 108.800 -0.134 0.000 2.232 316 G HA2 -0.320 3.657 3.960 0.029 0.000 0.226 316 G HA3 -0.320 3.657 3.960 0.029 0.000 0.226 316 G C 0.188 175.093 174.900 0.009 0.000 0.996 316 G CA 0.404 45.479 45.100 -0.042 0.000 0.626 316 G HN 0.851 nan 8.290 nan 0.000 0.509 317 V N -2.447 117.455 119.914 -0.020 0.000 3.166 317 V HA 0.908 5.045 4.120 0.029 0.000 0.317 317 V C -0.141 176.008 176.094 0.092 0.000 1.136 317 V CA -1.525 60.803 62.300 0.046 0.000 1.035 317 V CB 1.980 33.798 31.823 -0.008 0.000 1.110 317 V HN 0.781 nan 8.190 nan 0.000 0.450 318 F N 1.729 121.690 119.950 0.018 0.000 2.402 318 F HA 0.740 5.280 4.527 0.021 0.000 0.355 318 F C -0.514 175.317 175.800 0.052 0.000 1.123 318 F CA -0.733 57.286 58.000 0.032 0.000 1.021 318 F CB 0.884 39.914 39.000 0.050 0.000 1.160 318 F HN 0.477 nan 8.300 nan 0.000 0.451 319 L N 6.023 126.991 121.223 -0.426 0.000 2.343 319 L HA 0.496 4.853 4.340 0.029 0.000 0.275 319 L C -0.362 176.301 176.870 -0.345 0.000 1.056 319 L CA -0.909 53.781 54.840 -0.249 0.000 0.804 319 L CB 1.444 43.354 42.059 -0.248 0.000 1.203 319 L HN 0.519 nan 8.230 nan 0.000 0.440 320 K N 1.585 121.978 120.400 -0.012 0.000 2.207 320 K HA 0.396 4.733 4.320 0.029 0.000 0.255 320 K C -0.498 176.122 176.600 0.033 0.000 0.941 320 K CA -0.976 55.329 56.287 0.030 0.000 0.825 320 K CB 2.093 34.703 32.500 0.182 0.000 1.119 320 K HN 0.421 nan 8.250 nan 0.000 0.430 321 R N 0.629 121.131 120.500 0.005 0.000 2.523 321 R HA -0.086 4.271 4.340 0.029 0.000 0.281 321 R C 0.686 177.025 176.300 0.064 0.000 0.969 321 R CA 1.923 58.030 56.100 0.012 0.000 1.093 321 R CB -0.235 30.067 30.300 0.005 0.000 0.917 321 R HN 0.915 nan 8.270 nan 0.000 0.408 322 G N 2.679 111.522 108.800 0.072 0.000 2.254 322 G HA2 -0.244 3.734 3.960 0.029 0.000 0.225 322 G HA3 -0.244 3.734 3.960 0.029 0.000 0.225 322 G C -0.321 174.670 174.900 0.152 0.000 1.003 322 G CA 0.089 45.248 45.100 0.098 0.000 0.622 322 G HN 0.689 nan 8.290 nan 0.000 0.507 323 D N 1.384 121.908 120.400 0.208 0.000 2.419 323 D HA 0.473 5.130 4.640 0.029 0.000 0.236 323 D C 1.011 177.490 176.300 0.297 0.000 1.165 323 D CA 0.602 54.805 54.000 0.338 0.000 0.882 323 D CB 0.321 41.436 40.800 0.526 0.000 1.201 323 D HN 0.154 nan 8.370 nan 0.000 0.443 324 M N 1.396 121.213 119.600 0.361 0.000 2.383 324 M HA 0.441 4.938 4.480 0.029 0.000 0.325 324 M C -0.440 176.067 176.300 0.345 0.000 1.092 324 M CA -0.504 54.945 55.300 0.249 0.000 0.961 324 M CB 1.415 34.103 32.600 0.148 0.000 1.672 324 M HN 0.198 nan 8.290 nan 0.000 0.438 325 I N 3.633 124.305 120.570 0.170 0.000 2.382 325 I HA 0.294 4.481 4.170 0.029 0.000 0.285 325 I C -0.508 175.600 176.117 -0.014 0.000 1.007 325 I CA -0.952 60.426 61.300 0.129 0.000 1.142 325 I CB 1.767 39.745 38.000 -0.037 0.000 1.289 325 I HN 0.475 nan 8.210 nan 0.000 0.453 326 L N 7.973 129.214 121.223 0.030 0.000 2.416 326 L HA 0.304 4.661 4.340 0.029 0.000 0.272 326 L C -0.586 176.210 176.870 -0.123 0.000 1.161 326 L CA 0.422 55.220 54.840 -0.070 0.000 0.845 326 L CB 0.528 42.579 42.059 -0.013 0.000 1.119 326 L HN 0.475 nan 8.230 nan 0.000 0.464 327 L N 7.274 128.385 121.223 -0.186 0.000 2.435 327 L HA 0.393 4.751 4.340 0.029 0.000 0.253 327 L C -2.167 174.593 176.870 -0.183 0.000 1.087 327 L CA -1.664 53.052 54.840 -0.206 0.000 0.950 327 L CB 0.763 42.624 42.059 -0.330 0.000 1.304 327 L HN 0.504 nan 8.230 nan 0.000 0.453 328 P HA 0.068 nan 4.420 nan 0.000 0.273 328 P C 1.214 178.300 177.300 -0.357 0.000 1.319 328 P CA -0.207 62.550 63.100 -0.572 0.000 0.885 328 P CB 0.756 31.588 31.700 -1.445 0.000 1.015 329 T N 0.577 115.047 114.554 -0.140 0.000 2.897 329 T HA -0.208 4.159 4.350 0.029 0.000 0.271 329 T C 1.721 176.366 174.700 -0.091 0.000 1.084 329 T CA 1.163 63.235 62.100 -0.046 0.000 1.123 329 T CB -0.653 68.217 68.868 0.004 0.000 0.865 329 T HN 0.244 nan 8.240 nan 0.000 0.496 330 A N 1.577 124.305 122.820 -0.153 0.000 2.019 330 A HA 0.191 4.528 4.320 0.029 0.000 0.219 330 A C 2.317 179.797 177.584 -0.174 0.000 1.164 330 A CA 1.039 53.012 52.037 -0.107 0.000 0.644 330 A CB -0.758 18.209 19.000 -0.055 0.000 0.805 330 A HN 0.598 nan 8.150 nan 0.000 0.449 331 L N -1.698 119.378 121.223 -0.246 0.000 2.610 331 L HA -0.037 4.320 4.340 0.029 0.000 0.232 331 L C 2.115 178.935 176.870 -0.083 0.000 1.149 331 L CA 0.881 55.610 54.840 -0.184 0.000 0.872 331 L CB -0.538 41.369 42.059 -0.254 0.000 0.992 331 L HN 0.690 nan 8.230 nan 0.000 0.447 332 H N -0.319 118.656 119.070 -0.159 0.000 2.297 332 H HA 0.003 4.576 4.556 0.029 0.000 0.317 332 H C 2.201 177.447 175.328 -0.136 0.000 1.062 332 H CA 0.770 56.746 56.048 -0.120 0.000 1.431 332 H CB 0.170 29.886 29.762 -0.076 0.000 1.452 332 H HN 0.161 nan 8.280 nan 0.000 0.565 333 G N 1.153 109.919 108.800 -0.057 0.000 2.547 333 G HA2 -0.277 3.700 3.960 0.029 0.000 0.221 333 G HA3 -0.277 3.700 3.960 0.029 0.000 0.221 333 G C 1.399 176.142 174.900 -0.261 0.000 1.140 333 G CA 1.379 46.357 45.100 -0.202 0.000 0.760 333 G HN 0.369 nan 8.290 nan 0.000 0.583 334 L N 0.256 121.305 121.223 -0.290 0.000 2.607 334 L HA 0.205 4.562 4.340 0.029 0.000 0.228 334 L C 0.431 177.131 176.870 -0.283 0.000 1.123 334 L CA -0.416 54.161 54.840 -0.439 0.000 0.890 334 L CB 0.146 41.858 42.059 -0.579 0.000 1.103 334 L HN 0.023 nan 8.230 nan 0.000 0.468 335 D N 1.386 121.697 120.400 -0.148 0.000 2.363 335 D HA -0.068 4.590 4.640 0.029 0.000 0.263 335 D C 0.910 177.163 176.300 -0.079 0.000 1.258 335 D CA -0.005 53.940 54.000 -0.091 0.000 0.907 335 D CB 0.945 41.706 40.800 -0.064 0.000 1.107 335 D HN 0.192 nan 8.370 nan 0.000 0.495 336 D N 2.786 123.148 120.400 -0.064 0.000 2.371 336 D HA -0.101 4.557 4.640 0.029 0.000 0.221 336 D C 1.411 177.694 176.300 -0.029 0.000 0.986 336 D CA 0.555 54.530 54.000 -0.041 0.000 0.899 336 D CB -0.189 40.608 40.800 -0.005 0.000 0.902 336 D HN 0.283 nan 8.370 nan 0.000 0.530 337 A N 0.122 122.921 122.820 -0.035 0.000 2.119 337 A HA 0.387 4.725 4.320 0.029 0.000 0.216 337 A C 2.248 179.812 177.584 -0.034 0.000 1.152 337 A CA 1.200 53.216 52.037 -0.034 0.000 0.708 337 A CB -0.271 18.701 19.000 -0.046 0.000 0.805 337 A HN 0.360 nan 8.150 nan 0.000 0.460 338 A N -0.649 122.154 122.820 -0.028 0.000 1.942 338 A HA 0.214 4.552 4.320 0.029 0.000 0.209 338 A C 0.588 178.170 177.584 -0.003 0.000 1.214 338 A CA 0.235 52.274 52.037 0.003 0.000 0.686 338 A CB 0.190 19.237 19.000 0.078 0.000 0.871 338 A HN 0.399 nan 8.150 nan 0.000 0.460 339 N N 0.948 119.629 118.700 -0.032 0.000 2.577 339 N HA 0.329 5.086 4.740 0.029 0.000 0.275 339 N C -3.277 172.196 175.510 -0.062 0.000 1.091 339 N CA -1.091 51.925 53.050 -0.057 0.000 0.843 339 N CB 1.695 40.123 38.487 -0.097 0.000 1.295 339 N HN 0.022 nan 8.380 nan 0.000 0.530 340 P HA 0.007 nan 4.420 nan 0.000 0.267 340 P C -0.227 177.057 177.300 -0.028 0.000 1.200 340 P CA 0.330 63.416 63.100 -0.024 0.000 0.772 340 P CB 0.400 32.092 31.700 -0.013 0.000 0.855 341 E N 1.037 121.236 120.200 -0.001 0.000 2.210 341 E HA -0.180 4.187 4.350 0.029 0.000 0.201 341 E C -1.400 175.182 176.600 -0.030 0.000 1.339 341 E CA -0.048 56.365 56.400 0.022 0.000 0.699 341 E CB -1.180 28.537 29.700 0.028 0.000 1.126 341 E HN 0.519 nan 8.360 nan 0.000 0.355 342 P HA -0.162 nan 4.420 nan 0.000 0.225 342 P C 0.820 177.875 177.300 -0.409 0.000 1.148 342 P CA 1.101 64.032 63.100 -0.281 0.000 0.779 342 P CB -0.047 31.435 31.700 -0.363 0.000 0.780 343 W N 0.730 121.963 121.300 -0.112 0.000 2.584 343 W HA 0.128 4.806 4.660 0.029 0.000 0.264 343 W C 1.269 177.711 176.519 -0.128 0.000 1.264 343 W CA 0.091 57.367 57.345 -0.114 0.000 1.306 343 W CB -0.231 29.209 29.460 -0.033 0.000 1.110 343 W HN -0.170 nan 8.180 nan 0.000 0.606 344 K N 1.848 122.284 120.400 0.060 0.000 2.349 344 K HA 0.112 4.449 4.320 0.029 0.000 0.288 344 K C -0.441 176.053 176.600 -0.176 0.000 1.058 344 K CA -0.618 55.668 56.287 -0.001 0.000 0.953 344 K CB 0.448 32.960 32.500 0.020 0.000 0.997 344 K HN -0.214 nan 8.250 nan 0.000 0.477 345 L N 5.277 126.360 121.223 -0.233 0.000 2.515 345 L HA 0.059 4.416 4.340 0.029 0.000 0.281 345 L C -0.692 176.002 176.870 -0.294 0.000 1.131 345 L CA 0.659 55.261 54.840 -0.397 0.000 0.905 345 L CB 0.022 41.831 42.059 -0.416 0.000 1.246 345 L HN 0.502 nan 8.230 nan 0.000 0.463 346 D N 3.677 123.869 120.400 -0.346 0.000 2.461 346 D HA 0.137 4.794 4.640 0.029 0.000 0.240 346 D C 0.581 176.724 176.300 -0.262 0.000 1.094 346 D CA -0.268 53.613 54.000 -0.198 0.000 0.868 346 D CB 0.481 41.211 40.800 -0.118 0.000 1.062 346 D HN 0.381 nan 8.370 nan 0.000 0.530 347 F N 1.175 121.100 119.950 -0.042 0.000 2.661 347 F HA -0.005 4.540 4.527 0.029 0.000 0.298 347 F C 2.152 177.938 175.800 -0.023 0.000 1.137 347 F CA 0.352 58.330 58.000 -0.037 0.000 1.454 347 F CB 0.325 39.307 39.000 -0.030 0.000 1.103 347 F HN 0.264 nan 8.300 nan 0.000 0.577 348 S N -0.760 115.007 115.700 0.112 0.000 2.556 348 S HA 0.068 4.556 4.470 0.029 0.000 0.216 348 S C 0.828 175.438 174.600 0.017 0.000 0.970 348 S CA -0.484 57.754 58.200 0.064 0.000 0.912 348 S CB -0.246 62.989 63.200 0.059 0.000 0.790 348 S HN 0.170 nan 8.310 nan 0.000 0.504 349 R N 2.393 122.879 120.500 -0.023 0.000 2.486 349 R HA 0.052 4.409 4.340 0.029 0.000 0.303 349 R C 1.509 177.796 176.300 -0.023 0.000 0.958 349 R CA 0.142 56.215 56.100 -0.044 0.000 1.077 349 R CB 0.227 30.469 30.300 -0.097 0.000 0.921 349 R HN 0.257 nan 8.270 nan 0.000 0.406 350 R N 1.927 122.418 120.500 -0.015 0.000 2.075 350 R HA -0.045 4.313 4.340 0.029 0.000 0.226 350 R C 0.121 176.416 176.300 -0.009 0.000 1.114 350 R CA 1.386 57.483 56.100 -0.005 0.000 0.972 350 R CB 0.187 30.485 30.300 -0.002 0.000 0.869 350 R HN 0.459 nan 8.270 nan 0.000 0.437 351 S N 0.456 116.145 115.700 -0.018 0.000 2.653 351 S HA 0.372 4.860 4.470 0.029 0.000 0.272 351 S C -0.634 173.949 174.600 -0.030 0.000 1.221 351 S CA -0.810 57.378 58.200 -0.019 0.000 1.149 351 S CB 0.577 63.768 63.200 -0.015 0.000 1.029 351 S HN 0.233 nan 8.310 nan 0.000 0.481 352 I N 3.950 124.504 120.570 -0.027 0.000 2.276 352 I HA 0.256 4.443 4.170 0.029 0.000 0.290 352 I C 0.454 176.543 176.117 -0.046 0.000 1.109 352 I CA -0.263 61.021 61.300 -0.027 0.000 1.229 352 I CB 1.064 39.069 38.000 0.008 0.000 1.452 352 I HN 0.476 nan 8.210 nan 0.000 0.497 353 S N 6.111 121.770 115.700 -0.067 0.000 2.457 353 S HA 0.571 5.058 4.470 0.029 0.000 0.289 353 S C -0.606 173.789 174.600 -0.343 0.000 1.163 353 S CA -0.259 57.871 58.200 -0.116 0.000 1.078 353 S CB 0.142 63.383 63.200 0.069 0.000 0.987 353 S HN 0.760 nan 8.310 nan 0.000 0.482 354 H N 0.347 118.974 119.070 -0.739 0.000 2.950 354 H HA 0.537 5.110 4.556 0.029 0.000 0.307 354 H C -0.908 173.918 175.328 -0.837 0.000 1.403 354 H CA -0.822 54.554 56.048 -1.120 0.000 1.145 354 H CB 0.581 30.029 29.762 -0.524 0.000 1.844 354 H HN 0.192 nan 8.280 nan 0.000 0.515 355 S N 0.216 115.739 115.700 -0.295 0.000 2.843 355 S HA 0.088 4.576 4.470 0.029 0.000 0.249 355 S C 0.644 175.211 174.600 -0.055 0.000 1.047 355 S CA 0.216 58.377 58.200 -0.063 0.000 1.042 355 S CB 0.085 63.333 63.200 0.081 0.000 0.936 355 S HN 0.719 nan 8.310 nan 0.000 0.531 356 T N 1.317 115.871 114.554 0.000 0.000 2.849 356 T HA -0.041 4.327 4.350 0.029 0.000 0.270 356 T C 0.527 174.935 174.700 -0.486 0.000 1.066 356 T CA 1.401 63.266 62.100 -0.392 0.000 1.130 356 T CB -0.269 68.128 68.868 -0.786 0.000 0.864 356 T HN 0.441 nan 8.240 nan 0.000 0.481 357 F N 0.526 120.378 119.950 -0.163 0.000 2.639 357 F HA 0.465 5.009 4.527 0.028 0.000 0.302 357 F C 1.663 177.268 175.800 -0.325 0.000 1.097 357 F CA -0.316 57.540 58.000 -0.241 0.000 1.294 357 F CB -0.325 38.519 39.000 -0.260 0.000 1.027 357 F HN 0.267 nan 8.300 nan 0.000 0.550 358 G N 0.344 108.919 108.800 -0.376 0.000 2.512 358 G HA2 0.228 4.206 3.960 0.029 0.000 0.240 358 G HA3 0.228 4.206 3.960 0.029 0.000 0.240 358 G C 0.059 174.490 174.900 -0.782 0.000 1.246 358 G CA -0.364 44.042 45.100 -1.156 0.000 0.919 358 G HN 0.928 nan 8.290 nan 0.000 0.577 359 G N -2.751 105.644 108.800 -0.675 0.000 2.488 359 G HA2 0.791 4.769 3.960 0.029 0.000 0.301 359 G HA3 0.791 4.769 3.960 0.029 0.000 0.301 359 G C 0.935 175.837 174.900 0.002 0.000 1.339 359 G CA 1.291 46.277 45.100 -0.190 0.000 0.803 359 G HN 2.883 nan 8.290 nan 0.000 0.482 360 G N -0.188 108.636 108.800 0.040 0.000 2.641 360 G HA2 -0.032 3.946 3.960 0.029 0.000 0.254 360 G HA3 -0.032 3.946 3.960 0.029 0.000 0.254 360 G C -0.727 174.190 174.900 0.029 0.000 1.315 360 G CA 0.531 45.669 45.100 0.063 0.000 0.907 360 G HN 0.943 nan 8.290 nan 0.000 0.572 361 P HA -0.038 nan 4.420 nan 0.000 0.222 361 P C 1.003 178.230 177.300 -0.121 0.000 1.147 361 P CA 1.658 64.700 63.100 -0.095 0.000 0.790 361 P CB -0.115 31.439 31.700 -0.244 0.000 0.780 362 H N -1.376 117.683 119.070 -0.019 0.000 2.539 362 H HA 0.143 4.716 4.556 0.029 0.000 0.269 362 H C 0.911 176.257 175.328 0.030 0.000 0.980 362 H CA -0.278 55.784 56.048 0.023 0.000 1.152 362 H CB 0.075 29.833 29.762 -0.006 0.000 1.407 362 H HN 0.113 nan 8.280 nan 0.000 0.564 363 R N 1.530 122.069 120.500 0.065 0.000 2.489 363 R HA -0.118 4.239 4.340 0.029 0.000 0.287 363 R C 0.041 176.318 176.300 -0.038 0.000 0.902 363 R CA 0.039 56.120 56.100 -0.031 0.000 1.136 363 R CB -0.044 30.219 30.300 -0.060 0.000 0.872 363 R HN 0.283 nan 8.270 nan 0.000 0.421 364 C N 5.058 124.322 119.300 -0.058 0.000 2.298 364 C HA -0.047 4.430 4.460 0.029 0.000 0.395 364 C C 1.876 176.755 174.990 -0.185 0.000 1.526 364 C CA 0.313 59.278 59.018 -0.088 0.000 1.458 364 C CB -1.286 26.411 27.740 -0.072 0.000 2.506 364 C HN 0.877 nan 8.230 nan 0.000 0.604 365 A N 4.672 127.446 122.820 -0.078 0.000 2.067 365 A HA 0.132 4.469 4.320 0.029 0.000 0.219 365 A C 2.088 179.595 177.584 -0.129 0.000 1.158 365 A CA 1.602 53.593 52.037 -0.076 0.000 0.661 365 A CB -0.578 18.427 19.000 0.008 0.000 0.801 365 A HN 1.396 nan 8.150 nan 0.000 0.452 366 G N -0.059 108.652 108.800 -0.149 0.000 3.141 366 G HA2 0.175 4.152 3.960 0.029 0.000 0.218 366 G HA3 0.175 4.152 3.960 0.029 0.000 0.218 366 G C 1.309 176.017 174.900 -0.321 0.000 1.170 366 G CA 0.520 45.536 45.100 -0.139 0.000 0.769 366 G HN 0.671 nan 8.290 nan 0.000 0.546 367 M N -0.864 118.325 119.600 -0.686 0.000 2.149 367 M HA -0.090 4.407 4.480 0.029 0.000 0.261 367 M C 2.080 177.925 176.300 -0.758 0.000 1.064 367 M CA 1.405 55.957 55.300 -1.246 0.000 1.102 367 M CB -0.778 30.672 32.600 -1.917 0.000 1.369 367 M HN 0.104 nan 8.290 nan 0.000 0.408 368 H N 0.652 119.552 119.070 -0.284 0.000 2.395 368 H HA 0.002 4.576 4.556 0.029 0.000 0.299 368 H C 2.265 177.578 175.328 -0.026 0.000 1.070 368 H CA 1.585 57.562 56.048 -0.119 0.000 1.356 368 H CB -0.560 29.155 29.762 -0.077 0.000 1.401 368 H HN 0.385 nan 8.280 nan 0.000 0.524 369 L N 1.443 122.706 121.223 0.066 0.000 2.017 369 L HA -0.070 4.287 4.340 0.029 0.000 0.208 369 L C 2.594 179.562 176.870 0.162 0.000 1.073 369 L CA 1.810 56.718 54.840 0.113 0.000 0.745 369 L CB -1.021 41.097 42.059 0.099 0.000 0.894 369 L HN 0.183 nan 8.230 nan 0.000 0.432 370 A N -0.073 122.807 122.820 0.100 0.000 1.873 370 A HA -0.307 4.030 4.320 0.029 0.000 0.218 370 A C 2.554 180.390 177.584 0.419 0.000 1.193 370 A CA 2.187 54.360 52.037 0.228 0.000 0.629 370 A CB -0.804 18.259 19.000 0.105 0.000 0.826 370 A HN 0.559 nan 8.150 nan 0.000 0.447 371 R N -1.021 119.705 120.500 0.377 0.000 2.083 371 R HA -0.214 4.143 4.340 0.029 0.000 0.237 371 R C 2.165 178.657 176.300 0.319 0.000 1.137 371 R CA 2.229 58.627 56.100 0.496 0.000 0.951 371 R CB -0.409 30.123 30.300 0.386 0.000 0.851 371 R HN 0.490 nan 8.270 nan 0.000 0.434 372 M N 1.319 121.071 119.600 0.254 0.000 2.080 372 M HA -0.155 4.343 4.480 0.029 0.000 0.260 372 M C 1.644 178.112 176.300 0.281 0.000 1.068 372 M CA 1.985 57.420 55.300 0.226 0.000 1.109 372 M CB -0.037 32.675 32.600 0.188 0.000 1.342 372 M HN 0.232 nan 8.290 nan 0.000 0.405 373 E N -0.906 119.508 120.200 0.356 0.000 2.051 373 E HA -0.188 4.180 4.350 0.029 0.000 0.192 373 E C 1.988 178.795 176.600 0.346 0.000 0.991 373 E CA 1.721 58.415 56.400 0.490 0.000 0.799 373 E CB -0.413 29.682 29.700 0.658 0.000 0.748 373 E HN 0.402 nan 8.360 nan 0.000 0.449 374 V N 1.469 121.581 119.914 0.331 0.000 2.343 374 V HA -0.246 3.892 4.120 0.029 0.000 0.247 374 V C 2.208 178.377 176.094 0.125 0.000 1.051 374 V CA 1.504 63.960 62.300 0.259 0.000 1.036 374 V CB -0.368 31.579 31.823 0.207 0.000 0.654 374 V HN 0.263 nan 8.190 nan 0.000 0.451 375 I N -0.686 119.961 120.570 0.129 0.000 2.202 375 I HA -0.167 4.020 4.170 0.029 0.000 0.242 375 I C 2.373 178.558 176.117 0.114 0.000 1.091 375 I CA 1.088 62.439 61.300 0.085 0.000 1.368 375 I CB -0.406 37.653 38.000 0.098 0.000 1.058 375 I HN 0.129 nan 8.210 nan 0.000 0.410 376 V N 0.586 120.601 119.914 0.168 0.000 2.358 376 V HA -0.265 3.872 4.120 0.029 0.000 0.246 376 V C 2.536 178.754 176.094 0.207 0.000 1.047 376 V CA 2.360 64.773 62.300 0.188 0.000 1.035 376 V CB -0.845 31.118 31.823 0.232 0.000 0.658 376 V HN 0.460 nan 8.190 nan 0.000 0.452 377 T N 0.216 114.901 114.554 0.218 0.000 2.665 377 T HA -0.248 4.119 4.350 0.029 0.000 0.268 377 T C 1.876 176.672 174.700 0.161 0.000 1.035 377 T CA 1.868 64.077 62.100 0.182 0.000 1.151 377 T CB -0.334 68.581 68.868 0.078 0.000 0.862 377 T HN 0.293 nan 8.240 nan 0.000 0.438 378 L N 0.130 121.436 121.223 0.139 0.000 2.141 378 L HA -0.062 4.296 4.340 0.029 0.000 0.209 378 L C 2.620 179.569 176.870 0.132 0.000 1.094 378 L CA 1.347 56.257 54.840 0.117 0.000 0.763 378 L CB -0.223 41.849 42.059 0.023 0.000 0.908 378 L HN 0.341 nan 8.230 nan 0.000 0.437 379 E N -0.733 119.532 120.200 0.107 0.000 2.072 379 E HA -0.183 4.185 4.350 0.029 0.000 0.190 379 E C 2.027 178.680 176.600 0.088 0.000 0.982 379 E CA 0.772 57.222 56.400 0.083 0.000 0.803 379 E CB 0.161 29.903 29.700 0.071 0.000 0.755 379 E HN 0.321 nan 8.360 nan 0.000 0.453 380 E N 0.294 120.564 120.200 0.116 0.000 2.150 380 E HA -0.163 4.205 4.350 0.029 0.000 0.193 380 E C 1.597 178.227 176.600 0.050 0.000 0.985 380 E CA 0.487 56.939 56.400 0.087 0.000 0.814 380 E CB -0.301 29.483 29.700 0.139 0.000 0.752 380 E HN 0.447 nan 8.360 nan 0.000 0.466 381 W N 1.435 122.681 121.300 -0.090 0.000 2.353 381 W HA -0.168 4.509 4.660 0.029 0.000 0.319 381 W C 1.728 178.142 176.519 -0.175 0.000 1.207 381 W CA 1.158 58.393 57.345 -0.183 0.000 1.291 381 W CB -0.370 28.945 29.460 -0.241 0.000 1.159 381 W HN 0.029 nan 8.180 nan 0.000 0.478 382 L N 0.698 121.989 121.223 0.113 0.000 2.291 382 L HA -0.150 4.207 4.340 0.029 0.000 0.214 382 L C 2.456 179.295 176.870 -0.052 0.000 1.120 382 L CA 0.948 55.819 54.840 0.051 0.000 0.799 382 L CB -0.760 41.380 42.059 0.134 0.000 0.925 382 L HN -0.114 nan 8.230 nan 0.000 0.446 383 K N -0.195 120.170 120.400 -0.058 0.000 2.103 383 K HA -0.144 4.193 4.320 0.029 0.000 0.207 383 K C 2.190 178.708 176.600 -0.137 0.000 1.048 383 K CA 1.200 57.443 56.287 -0.073 0.000 0.930 383 K CB 0.056 32.526 32.500 -0.050 0.000 0.716 383 K HN 0.164 nan 8.250 nan 0.000 0.444 384 R N -0.299 120.049 120.500 -0.252 0.000 2.195 384 R HA 0.226 4.583 4.340 0.029 0.000 0.197 384 R C 0.701 176.727 176.300 -0.457 0.000 0.990 384 R CA 0.612 56.516 56.100 -0.328 0.000 1.048 384 R CB 0.524 30.582 30.300 -0.403 0.000 0.997 384 R HN 0.134 nan 8.270 nan 0.000 0.502 385 I N 3.076 123.244 120.570 -0.669 0.000 2.862 385 I HA 0.181 4.368 4.170 0.029 0.000 0.285 385 I C -1.757 174.186 176.117 -0.290 0.000 1.339 385 I CA -1.453 59.370 61.300 -0.797 0.000 1.002 385 I CB 2.028 38.954 38.000 -1.790 0.000 1.618 385 I HN -0.189 nan 8.210 nan 0.000 0.593 386 P HA -0.070 nan 4.420 nan 0.000 0.222 386 P C 0.126 177.559 177.300 0.222 0.000 1.147 386 P CA 1.296 64.447 63.100 0.085 0.000 0.790 386 P CB 0.500 32.227 31.700 0.045 0.000 0.780 387 E N -0.550 119.807 120.200 0.261 0.000 2.275 387 E HA 0.540 4.908 4.350 0.029 0.000 0.270 387 E C -0.815 176.081 176.600 0.493 0.000 0.882 387 E CA -0.762 55.815 56.400 0.295 0.000 0.758 387 E CB 1.904 31.711 29.700 0.179 0.000 1.195 387 E HN 0.028 nan 8.360 nan 0.000 0.419 388 F N -0.394 119.702 119.950 0.243 0.000 2.741 388 F HA 0.759 5.303 4.527 0.029 0.000 0.313 388 F C -1.023 174.926 175.800 0.249 0.000 1.153 388 F CA -0.838 57.362 58.000 0.334 0.000 0.931 388 F CB 1.206 40.488 39.000 0.469 0.000 1.335 388 F HN 0.368 nan 8.300 nan 0.000 0.460 389 S N 0.293 116.185 115.700 0.320 0.000 2.656 389 S HA 0.659 5.146 4.470 0.029 0.000 0.273 389 S C -1.694 173.087 174.600 0.302 0.000 1.168 389 S CA -0.841 57.460 58.200 0.168 0.000 0.817 389 S CB 1.895 65.159 63.200 0.106 0.000 1.146 389 S HN 0.865 nan 8.310 nan 0.000 0.475 390 F N 2.394 122.398 119.950 0.089 0.000 2.427 390 F HA 0.427 4.971 4.527 0.029 0.000 0.352 390 F C 0.816 176.650 175.800 0.058 0.000 1.100 390 F CA -0.338 57.711 58.000 0.083 0.000 1.191 390 F CB 0.828 39.849 39.000 0.035 0.000 1.128 390 F HN 0.697 nan 8.300 nan 0.000 0.533 391 K N 5.147 125.406 120.400 -0.234 0.000 2.472 391 K HA -0.058 4.280 4.320 0.029 0.000 0.280 391 K C 0.146 176.768 176.600 0.038 0.000 1.028 391 K CA 0.034 56.253 56.287 -0.113 0.000 1.045 391 K CB 0.303 32.671 32.500 -0.220 0.000 0.902 391 K HN 0.751 nan 8.250 nan 0.000 0.478 392 E N 1.918 122.149 120.200 0.052 0.000 2.437 392 E HA -0.054 4.314 4.350 0.029 0.000 0.263 392 E C 0.620 177.257 176.600 0.062 0.000 1.030 392 E CA 1.139 57.582 56.400 0.072 0.000 0.934 392 E CB 0.230 29.952 29.700 0.037 0.000 0.943 392 E HN 0.840 nan 8.360 nan 0.000 0.444 393 G N 2.713 111.558 108.800 0.075 0.000 2.203 393 G HA2 -0.253 3.725 3.960 0.029 0.000 0.263 393 G HA3 -0.253 3.725 3.960 0.029 0.000 0.263 393 G C -0.148 174.799 174.900 0.078 0.000 1.012 393 G CA 0.480 45.616 45.100 0.060 0.000 0.749 393 G HN 0.461 nan 8.290 nan 0.000 0.512 394 E N -0.766 119.525 120.200 0.152 0.000 2.299 394 E HA 0.760 5.128 4.350 0.029 0.000 0.265 394 E C -0.414 176.402 176.600 0.360 0.000 0.911 394 E CA -0.311 56.207 56.400 0.197 0.000 0.789 394 E CB 2.086 31.843 29.700 0.095 0.000 1.246 394 E HN 0.166 nan 8.360 nan 0.000 0.427 395 T N 1.401 116.116 114.554 0.269 0.000 2.993 395 T HA 0.501 4.868 4.350 0.029 0.000 0.312 395 T C -2.780 171.979 174.700 0.098 0.000 1.115 395 T CA -1.824 60.371 62.100 0.157 0.000 1.027 395 T CB 1.480 70.386 68.868 0.062 0.000 1.116 395 T HN 0.053 nan 8.240 nan 0.000 0.464 396 P HA 0.527 nan 4.420 nan 0.000 0.274 396 P C -0.861 176.150 177.300 -0.482 0.000 1.246 396 P CA -0.410 62.544 63.100 -0.243 0.000 0.795 396 P CB 0.549 31.981 31.700 -0.446 0.000 1.006 397 I N 1.351 121.607 120.570 -0.523 0.000 2.406 397 I HA 0.334 4.522 4.170 0.029 0.000 0.290 397 I C -0.505 175.282 176.117 -0.550 0.000 0.999 397 I CA -0.619 60.430 61.300 -0.418 0.000 1.124 397 I CB 0.891 38.785 38.000 -0.176 0.000 1.289 397 I HN 0.278 nan 8.210 nan 0.000 0.441 398 Y N 4.394 124.566 120.300 -0.214 0.000 2.487 398 Y HA 0.597 5.165 4.550 0.029 0.000 0.337 398 Y C 0.073 175.693 175.900 -0.468 0.000 1.076 398 Y CA -0.746 57.249 58.100 -0.175 0.000 1.115 398 Y CB 1.453 39.917 38.460 0.007 0.000 1.235 398 Y HN 0.408 nan 8.280 nan 0.000 0.468 399 H N -0.241 118.997 119.070 0.280 0.000 2.851 399 H HA 0.458 5.031 4.556 0.029 0.000 0.372 399 H C -0.901 174.592 175.328 0.275 0.000 1.158 399 H CA -0.861 55.318 56.048 0.218 0.000 1.159 399 H CB 2.306 32.155 29.762 0.144 0.000 1.757 399 H HN 0.704 nan 8.280 nan 0.000 0.546 400 S N 0.700 116.622 115.700 0.371 0.000 2.747 400 S HA 0.911 5.399 4.470 0.029 0.000 0.300 400 S C 0.580 175.335 174.600 0.259 0.000 1.121 400 S CA 0.160 58.591 58.200 0.385 0.000 0.995 400 S CB 2.562 65.911 63.200 0.249 0.000 1.113 400 S HN 1.063 nan 8.310 nan 0.000 0.547 401 G N -0.026 108.870 108.800 0.159 0.000 2.366 401 G HA2 0.103 4.081 3.960 0.029 0.000 0.190 401 G HA3 0.103 4.081 3.960 0.029 0.000 0.190 401 G C 0.058 174.974 174.900 0.026 0.000 1.299 401 G CA -0.134 44.923 45.100 -0.072 0.000 1.056 401 G HN 0.616 nan 8.290 nan 0.000 0.468 402 I N 0.535 121.169 120.570 0.107 0.000 2.277 402 I HA 0.135 4.323 4.170 0.029 0.000 0.243 402 I C 1.094 177.292 176.117 0.136 0.000 1.094 402 I CA 1.386 62.766 61.300 0.132 0.000 1.393 402 I CB -0.731 37.350 38.000 0.134 0.000 1.078 402 I HN 0.121 nan 8.210 nan 0.000 0.417 403 V N 1.652 121.633 119.914 0.113 0.000 2.444 403 V HA 0.552 4.689 4.120 0.029 0.000 0.294 403 V C 0.334 176.453 176.094 0.041 0.000 1.022 403 V CA -1.431 60.918 62.300 0.083 0.000 0.850 403 V CB 1.190 33.069 31.823 0.092 0.000 0.992 403 V HN 0.295 nan 8.190 nan 0.000 0.426 404 A N 3.938 126.674 122.820 -0.139 0.000 2.598 404 A HA 0.479 4.817 4.320 0.029 0.000 0.239 404 A C 0.629 178.262 177.584 0.082 0.000 1.032 404 A CA 0.870 52.715 52.037 -0.320 0.000 0.760 404 A CB -0.051 18.305 19.000 -1.074 0.000 0.946 404 A HN 1.572 nan 8.150 nan 0.000 0.512 405 A N 2.642 125.560 122.820 0.163 0.000 2.342 405 A HA 0.694 5.031 4.320 0.029 0.000 0.323 405 A C -0.421 177.209 177.584 0.076 0.000 1.125 405 A CA -0.412 51.711 52.037 0.144 0.000 0.785 405 A CB 1.237 20.342 19.000 0.175 0.000 1.221 405 A HN 1.636 nan 8.150 nan 0.000 0.463 406 V N 1.427 121.257 119.914 -0.139 0.000 2.789 406 V HA 0.775 4.912 4.120 0.029 0.000 0.311 406 V C -0.394 175.568 176.094 -0.221 0.000 1.073 406 V CA -0.746 61.356 62.300 -0.329 0.000 0.921 406 V CB 1.429 32.843 31.823 -0.680 0.000 1.009 406 V HN 1.106 nan 8.190 nan 0.000 0.426 407 E N 2.091 122.161 120.200 -0.216 0.000 2.459 407 E HA 0.571 4.939 4.350 0.029 0.000 0.275 407 E C -0.750 175.775 176.600 -0.126 0.000 0.987 407 E CA -1.205 55.118 56.400 -0.128 0.000 0.828 407 E CB 1.785 31.452 29.700 -0.056 0.000 1.428 407 E HN 0.637 nan 8.360 nan 0.000 0.457 408 N N -0.665 117.995 118.700 -0.067 0.000 2.522 408 N HA -0.144 4.613 4.740 0.029 0.000 0.281 408 N C -1.770 173.744 175.510 0.007 0.000 1.267 408 N CA 0.622 53.646 53.050 -0.042 0.000 0.675 408 N CB -0.765 37.702 38.487 -0.034 0.000 0.890 408 N HN 0.422 nan 8.380 nan 0.000 0.542 409 V N 3.762 123.662 119.914 -0.023 0.000 2.361 409 V HA 0.379 4.516 4.120 0.029 0.000 0.252 409 V C -2.019 173.961 176.094 -0.189 0.000 0.986 409 V CA -0.924 61.382 62.300 0.011 0.000 1.033 409 V CB 1.063 32.940 31.823 0.089 0.000 1.282 409 V HN 0.420 nan 8.190 nan 0.000 0.514 410 P HA 0.406 nan 4.420 nan 0.000 0.282 410 P C -0.779 176.255 177.300 -0.443 0.000 1.262 410 P CA 0.020 62.899 63.100 -0.368 0.000 0.773 410 P CB 1.581 33.073 31.700 -0.346 0.000 0.879 411 L N 3.690 124.856 121.223 -0.096 0.000 2.354 411 L HA 0.717 5.074 4.340 0.029 0.000 0.269 411 L C 0.364 177.366 176.870 0.219 0.000 1.005 411 L CA -1.280 53.647 54.840 0.143 0.000 0.819 411 L CB 2.259 44.564 42.059 0.411 0.000 1.311 411 L HN 0.197 nan 8.230 nan 0.000 0.423 412 V N -1.282 118.807 119.914 0.291 0.000 2.962 412 V HA 0.809 4.946 4.120 0.029 0.000 0.313 412 V C -1.574 174.767 176.094 0.412 0.000 1.099 412 V CA -0.602 61.761 62.300 0.104 0.000 0.971 412 V CB 1.727 33.529 31.823 -0.035 0.000 1.028 412 V HN 0.941 nan 8.190 nan 0.000 0.430 413 W N 2.426 123.802 121.300 0.126 0.000 3.213 413 W HA 0.919 5.596 4.660 0.029 0.000 0.318 413 W C -2.980 173.580 176.519 0.069 0.000 1.248 413 W CA -1.495 55.927 57.345 0.129 0.000 1.187 413 W CB 0.286 29.840 29.460 0.156 0.000 1.403 413 W HN 0.615 nan 8.180 nan 0.000 0.556 414 P HA 0.000 nan 4.420 nan 0.000 0.216 414 P CA 0.000 63.180 63.100 0.133 0.000 0.800 414 P CB 0.000 31.773 31.700 0.122 0.000 0.726