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 2g9u_1_A DATA FIRST_RESID 14 DATA SEQUENCE SVRGLAGVEN VTELKKNFNR HLHFTLVKDR NVATPRDYYF ALAHTVRDHL DATA SEQUENCE VGRWIRTQQH YYEKDPKRIY YLSLEFYMGR TLQNTMVNLA LENACDEATY DATA SEQUENCE QLGLDMEELE EIEEDAGLGN GGLGRLAACF LDSMATLGLA AYGYGIRYEF DATA SEQUENCE GIFNQKICGG WQMEEADDWL RYGNPWEKAR PEFTLPVHFY GRVEHTSQGA DATA SEQUENCE KWVDTQVVLA MPYDTPVPGY RNNVVNTMRL WSAKAPNDFN LXXXXXXGYI DATA SEQUENCE QAVLDRNLAE NISRVLYPNX XXXXGKELRL KQEYFVVAAT LQDIIRRFKS DATA SEQUENCE SXXXXXXXXX TNFDAFPDKV AIQLNDTHPS LAIPELMRVL VDLERLDWDK DATA SEQUENCE AWEVTVKTCA YTNHTVLPEA LERWPVHLLE TLLPRHLQII YEINQRFLNR DATA SEQUENCE VAAAFPGDVD RLRRMSLVEE GAVKRINMAH LCIAGSHAVN GVARIHSEIL DATA SEQUENCE KKTIFKDFYE LEPHKFQNKT NGITPRRWLV LCNPGLAEII AERIGEEYIS DATA SEQUENCE DLDQLRKLLS YVDDEAFIRD VAKVKQENKL KFAAYLEREY KVHINPNSLF DATA SEQUENCE DVQVKRIHEY KRQLLNCLHV ITLYNRIKKE PNKFVVPRTV MIGGKAAPGY DATA SEQUENCE HMAKMIIKLI TAIGDVVNHD PVVGDRLRVI FLENYRVSLA EKVIPAADLS DATA SEQUENCE EQISTAGTEA SGTGNMXFML NGALTIGTMD GANVEMAEEA GEENFFIFGM DATA SEQUENCE RVEDVDRLDQ RGYNAQEYYD RIPELRQIIE QLSSGFFSPK QPDLFKDIVN DATA SEQUENCE MLMHHDRFKV FADYEEYVKC QERVSALYKN PREWTRMVIR NIATSGKFSS DATA SEQUENCE DRTIAQYARE IWGVEPSRQR LPA 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.607 174.600 0.012 0.000 1.055 14 S CA 0.000 58.203 58.200 0.005 0.000 1.107 14 S CB 0.000 63.207 63.200 0.012 0.000 0.593 15 V N 1.739 121.667 119.914 0.023 0.000 3.078 15 V HA 0.279 4.391 4.120 -0.014 0.000 0.265 15 V C 1.724 177.830 176.094 0.021 0.000 1.122 15 V CA 1.729 64.046 62.300 0.029 0.000 1.141 15 V CB -1.157 30.691 31.823 0.041 0.000 0.735 15 V HN 0.448 nan 8.190 nan 0.000 0.498 16 R N 1.279 121.782 120.500 0.006 0.000 2.356 16 R HA 0.456 4.788 4.340 -0.014 0.000 0.234 16 R C 1.134 177.424 176.300 -0.018 0.000 0.929 16 R CA 0.518 56.614 56.100 -0.005 0.000 1.084 16 R CB 0.008 30.301 30.300 -0.012 0.000 1.105 16 R HN 0.750 nan 8.270 nan 0.000 0.515 17 G N 0.752 109.541 108.800 -0.018 0.000 2.760 17 G HA2 -0.227 3.725 3.960 -0.014 0.000 0.246 17 G HA3 -0.227 3.725 3.960 -0.014 0.000 0.246 17 G C -0.822 174.061 174.900 -0.028 0.000 1.359 17 G CA -1.064 44.018 45.100 -0.030 0.000 0.861 17 G HN -0.008 nan 8.290 nan 0.000 0.541 18 L N 0.263 121.468 121.223 -0.031 0.000 2.375 18 L HA 0.672 5.004 4.340 -0.014 0.000 0.271 18 L C 1.208 178.062 176.870 -0.027 0.000 1.107 18 L CA 0.278 55.103 54.840 -0.026 0.000 0.806 18 L CB 0.888 42.934 42.059 -0.022 0.000 1.146 18 L HN 1.561 nan 8.230 nan 0.000 0.447 19 A N 2.144 124.951 122.820 -0.023 0.000 3.056 19 A HA 0.591 4.903 4.320 -0.014 0.000 0.328 19 A C 0.719 178.295 177.584 -0.013 0.000 1.233 19 A CA -0.330 51.695 52.037 -0.020 0.000 0.965 19 A CB -0.371 18.614 19.000 -0.024 0.000 1.123 19 A HN 0.803 nan 8.150 nan 0.000 0.502 20 G N -0.304 108.490 108.800 -0.009 0.000 2.544 20 G HA2 0.345 4.297 3.960 -0.014 0.000 0.242 20 G HA3 0.345 4.297 3.960 -0.014 0.000 0.242 20 G C 0.994 175.896 174.900 0.003 0.000 1.247 20 G CA -0.013 45.086 45.100 -0.003 0.000 0.840 20 G HN 0.422 nan 8.290 nan 0.000 0.578 21 V N 1.424 121.341 119.914 0.005 0.000 2.295 21 V HA -0.151 3.960 4.120 -0.014 0.000 0.246 21 V C 2.702 178.805 176.094 0.015 0.000 1.049 21 V CA 2.339 64.645 62.300 0.009 0.000 1.024 21 V CB -0.670 31.158 31.823 0.008 0.000 0.648 21 V HN 0.782 nan 8.190 nan 0.000 0.447 22 E N 0.461 120.671 120.200 0.016 0.000 2.051 22 E HA -0.186 4.156 4.350 -0.014 0.000 0.192 22 E C 2.093 178.713 176.600 0.033 0.000 0.991 22 E CA 1.720 58.134 56.400 0.022 0.000 0.799 22 E CB -0.318 29.394 29.700 0.021 0.000 0.748 22 E HN 0.687 nan 8.360 nan 0.000 0.449 23 N N -0.805 117.913 118.700 0.030 0.000 2.084 23 N HA -0.147 4.585 4.740 -0.014 0.000 0.190 23 N C 1.704 177.237 175.510 0.040 0.000 1.030 23 N CA 1.130 54.204 53.050 0.040 0.000 0.849 23 N CB 0.104 38.602 38.487 0.020 0.000 1.012 23 N HN -0.044 nan 8.380 nan 0.000 0.423 24 V N 0.831 120.760 119.914 0.024 0.000 2.343 24 V HA -0.236 3.876 4.120 -0.014 0.000 0.247 24 V C 2.110 178.223 176.094 0.032 0.000 1.051 24 V CA 1.788 64.101 62.300 0.022 0.000 1.036 24 V CB -0.796 31.035 31.823 0.013 0.000 0.654 24 V HN 0.427 nan 8.190 nan 0.000 0.451 25 T N -0.621 113.953 114.554 0.033 0.000 2.746 25 T HA -0.217 4.125 4.350 -0.014 0.000 0.267 25 T C 1.916 176.648 174.700 0.054 0.000 1.039 25 T CA 1.762 63.883 62.100 0.036 0.000 1.142 25 T CB -0.182 68.703 68.868 0.028 0.000 0.866 25 T HN 0.496 nan 8.240 nan 0.000 0.444 26 E N 0.880 121.119 120.200 0.065 0.000 2.106 26 E HA 0.008 4.350 4.350 -0.014 0.000 0.192 26 E C 2.023 178.700 176.600 0.129 0.000 0.984 26 E CA 0.767 57.219 56.400 0.088 0.000 0.806 26 E CB -0.442 29.314 29.700 0.093 0.000 0.750 26 E HN 0.429 nan 8.360 nan 0.000 0.458 27 L N 0.098 121.402 121.223 0.135 0.000 2.056 27 L HA -0.158 4.174 4.340 -0.014 0.000 0.207 27 L C 2.421 179.399 176.870 0.180 0.000 1.078 27 L CA 1.329 56.272 54.840 0.172 0.000 0.749 27 L CB -0.290 41.837 42.059 0.114 0.000 0.901 27 L HN 0.067 nan 8.230 nan 0.000 0.433 28 K N 0.512 120.978 120.400 0.110 0.000 2.057 28 K HA -0.208 4.103 4.320 -0.014 0.000 0.207 28 K C 2.125 178.827 176.600 0.170 0.000 1.049 28 K CA 1.747 58.091 56.287 0.095 0.000 0.931 28 K CB -0.037 32.479 32.500 0.026 0.000 0.714 28 K HN 0.376 nan 8.250 nan 0.000 0.440 29 K N 0.006 120.488 120.400 0.137 0.000 2.167 29 K HA -0.017 4.295 4.320 -0.014 0.000 0.203 29 K C 1.524 178.215 176.600 0.151 0.000 1.052 29 K CA 1.191 57.554 56.287 0.127 0.000 0.956 29 K CB -0.052 32.495 32.500 0.079 0.000 0.735 29 K HN -0.005 nan 8.250 nan 0.000 0.451 30 N N 0.590 119.393 118.700 0.173 0.000 2.270 30 N HA -0.104 4.628 4.740 -0.014 0.000 0.181 30 N C 1.569 177.246 175.510 0.278 0.000 1.016 30 N CA 0.883 54.036 53.050 0.171 0.000 0.870 30 N CB -0.254 38.345 38.487 0.187 0.000 0.979 30 N HN 0.199 nan 8.380 nan 0.000 0.431 31 F N 2.671 122.730 119.950 0.182 0.000 2.069 31 F HA -0.149 4.370 4.527 -0.014 0.000 0.298 31 F C 2.050 177.963 175.800 0.188 0.000 1.113 31 F CA 1.389 59.507 58.000 0.197 0.000 1.214 31 F CB -0.174 38.909 39.000 0.139 0.000 0.978 31 F HN -0.026 nan 8.300 nan 0.000 0.474 32 N N 0.441 119.378 118.700 0.395 0.000 2.166 32 N HA -0.192 4.540 4.740 -0.014 0.000 0.186 32 N C 2.034 177.637 175.510 0.154 0.000 1.019 32 N CA 1.216 54.422 53.050 0.259 0.000 0.856 32 N CB -0.562 38.056 38.487 0.220 0.000 0.993 32 N HN 0.374 nan 8.380 nan 0.000 0.426 33 R N 0.339 120.929 120.500 0.151 0.000 2.083 33 R HA -0.128 4.204 4.340 -0.014 0.000 0.237 33 R C 1.867 178.266 176.300 0.164 0.000 1.137 33 R CA 1.606 57.824 56.100 0.196 0.000 0.951 33 R CB -0.275 30.062 30.300 0.061 0.000 0.851 33 R HN 0.388 nan 8.270 nan 0.000 0.434 34 H N -0.417 118.698 119.070 0.076 0.000 2.387 34 H HA -0.133 4.415 4.556 -0.014 0.000 0.299 34 H C 1.911 177.176 175.328 -0.105 0.000 1.090 34 H CA 1.510 57.533 56.048 -0.042 0.000 1.332 34 H CB 0.043 29.741 29.762 -0.106 0.000 1.386 34 H HN 0.145 nan 8.280 nan 0.000 0.516 35 L N -0.137 121.070 121.223 -0.026 0.000 2.046 35 L HA -0.195 4.137 4.340 -0.014 0.000 0.208 35 L C 2.236 179.082 176.870 -0.039 0.000 1.077 35 L CA 1.911 56.706 54.840 -0.075 0.000 0.747 35 L CB -0.438 41.586 42.059 -0.058 0.000 0.896 35 L HN 0.306 nan 8.230 nan 0.000 0.432 36 H N -1.736 117.261 119.070 -0.123 0.000 2.276 36 H HA -0.084 4.464 4.556 -0.014 0.000 0.307 36 H C 1.818 176.954 175.328 -0.320 0.000 1.061 36 H CA 2.352 58.233 56.048 -0.279 0.000 1.336 36 H CB -0.264 29.234 29.762 -0.441 0.000 1.396 36 H HN 0.294 nan 8.280 nan 0.000 0.503 37 F N -0.410 119.552 119.950 0.020 0.000 2.234 37 F HA -0.024 4.494 4.527 -0.014 0.000 0.296 37 F C 2.611 178.345 175.800 -0.109 0.000 1.089 37 F CA 1.393 59.359 58.000 -0.056 0.000 1.343 37 F CB -0.374 38.617 39.000 -0.014 0.000 1.040 37 F HN 0.184 nan 8.300 nan 0.000 0.498 38 T N -0.043 114.549 114.554 0.064 0.000 2.939 38 T HA 0.068 4.410 4.350 -0.014 0.000 0.254 38 T C 1.976 176.592 174.700 -0.141 0.000 1.041 38 T CA 0.855 62.921 62.100 -0.058 0.000 1.142 38 T CB -0.263 68.550 68.868 -0.093 0.000 0.874 38 T HN 0.116 nan 8.240 nan 0.000 0.452 39 L N 1.068 122.207 121.223 -0.139 0.000 2.477 39 L HA 0.206 4.538 4.340 -0.014 0.000 0.220 39 L C 0.321 177.095 176.870 -0.159 0.000 1.106 39 L CA -0.081 54.663 54.840 -0.161 0.000 0.851 39 L CB -0.051 41.919 42.059 -0.148 0.000 0.994 39 L HN -0.021 nan 8.230 nan 0.000 0.462 40 V N 0.842 120.646 119.914 -0.183 0.000 6.125 40 V HA -0.257 3.855 4.120 -0.014 0.000 0.281 40 V C -0.215 175.759 176.094 -0.199 0.000 0.591 40 V CA 1.026 63.187 62.300 -0.231 0.000 0.617 40 V CB -2.146 29.568 31.823 -0.181 0.000 0.336 40 V HN 0.414 nan 8.190 nan 0.000 0.650 41 K N 0.952 121.235 120.400 -0.194 0.000 2.482 41 K HA 0.675 4.987 4.320 -0.014 0.000 0.257 41 K C -0.396 176.150 176.600 -0.090 0.000 0.969 41 K CA -0.519 55.688 56.287 -0.133 0.000 0.842 41 K CB 2.798 35.223 32.500 -0.125 0.000 1.359 41 K HN 0.579 nan 8.250 nan 0.000 0.441 42 D N -0.536 119.836 120.400 -0.045 0.000 2.326 42 D HA 0.318 4.950 4.640 -0.014 0.000 0.248 42 D C 0.807 177.133 176.300 0.044 0.000 1.001 42 D CA -0.739 53.272 54.000 0.019 0.000 0.961 42 D CB 1.043 41.853 40.800 0.017 0.000 1.183 42 D HN 0.086 nan 8.370 nan 0.000 0.502 43 R N 0.454 121.014 120.500 0.099 0.000 2.200 43 R HA -0.064 4.267 4.340 -0.014 0.000 0.234 43 R C 0.668 177.043 176.300 0.125 0.000 1.127 43 R CA 0.735 56.934 56.100 0.164 0.000 0.989 43 R CB -0.723 29.677 30.300 0.167 0.000 0.869 43 R HN 0.556 nan 8.270 nan 0.000 0.459 44 N N 0.254 118.994 118.700 0.068 0.000 2.422 44 N HA -0.059 4.673 4.740 -0.014 0.000 0.181 44 N C 1.554 177.079 175.510 0.025 0.000 1.080 44 N CA 0.944 54.023 53.050 0.049 0.000 0.893 44 N CB 0.424 38.931 38.487 0.032 0.000 0.973 44 N HN 0.224 nan 8.380 nan 0.000 0.456 45 V N -3.074 116.841 119.914 0.002 0.000 3.556 45 V HA 0.520 4.631 4.120 -0.014 0.000 0.287 45 V C 0.829 176.883 176.094 -0.067 0.000 1.422 45 V CA -0.482 61.803 62.300 -0.026 0.000 1.038 45 V CB -0.286 31.517 31.823 -0.035 0.000 0.850 45 V HN 0.034 nan 8.190 nan 0.000 0.437 46 A N 2.364 125.119 122.820 -0.108 0.000 2.440 46 A HA 0.587 4.898 4.320 -0.014 0.000 0.251 46 A C 0.756 178.159 177.584 -0.302 0.000 1.089 46 A CA 0.705 52.565 52.037 -0.295 0.000 0.779 46 A CB -0.144 18.530 19.000 -0.543 0.000 1.022 46 A HN 0.799 nan 8.150 nan 0.000 0.492 47 T N 0.554 114.943 114.554 -0.274 0.000 2.912 47 T HA 0.519 4.861 4.350 -0.014 0.000 0.280 47 T C -2.006 172.608 174.700 -0.143 0.000 0.989 47 T CA -1.677 60.342 62.100 -0.135 0.000 0.995 47 T CB 0.906 69.741 68.868 -0.056 0.000 1.077 47 T HN 0.274 nan 8.240 nan 0.000 0.531 48 P HA -0.141 nan 4.420 nan 0.000 0.217 48 P C 1.649 179.059 177.300 0.184 0.000 1.151 48 P CA 1.106 64.339 63.100 0.223 0.000 0.849 48 P CB 0.016 31.809 31.700 0.155 0.000 0.787 49 R N 0.093 120.650 120.500 0.094 0.000 2.091 49 R HA -0.159 4.173 4.340 -0.014 0.000 0.238 49 R C 1.734 178.207 176.300 0.289 0.000 1.136 49 R CA 2.007 58.203 56.100 0.161 0.000 0.959 49 R CB -0.806 29.516 30.300 0.036 0.000 0.856 49 R HN 0.106 nan 8.270 nan 0.000 0.437 50 D N -0.382 120.064 120.400 0.077 0.000 2.123 50 D HA -0.196 4.436 4.640 -0.014 0.000 0.196 50 D C 1.784 178.103 176.300 0.031 0.000 0.992 50 D CA 1.358 55.355 54.000 -0.006 0.000 0.833 50 D CB -0.325 40.332 40.800 -0.238 0.000 0.954 50 D HN 0.325 nan 8.370 nan 0.000 0.455 51 Y N 0.157 120.565 120.300 0.181 0.000 2.200 51 Y HA -0.202 4.339 4.550 -0.014 0.000 0.290 51 Y C 2.341 178.385 175.900 0.239 0.000 1.137 51 Y CA 0.282 58.536 58.100 0.256 0.000 1.163 51 Y CB -1.199 37.468 38.460 0.345 0.000 0.988 51 Y HN 0.073 nan 8.280 nan 0.000 0.518 52 Y N -0.325 120.123 120.300 0.248 0.000 2.081 52 Y HA -0.321 4.221 4.550 -0.014 0.000 0.280 52 Y C 2.029 177.908 175.900 -0.036 0.000 1.163 52 Y CA 1.426 59.566 58.100 0.067 0.000 1.135 52 Y CB -1.191 37.213 38.460 -0.093 0.000 0.970 52 Y HN 0.053 nan 8.280 nan 0.000 0.498 53 F N 0.176 119.914 119.950 -0.353 0.000 2.171 53 F HA -0.159 4.360 4.527 -0.013 0.000 0.300 53 F C 2.660 178.294 175.800 -0.277 0.000 1.090 53 F CA 1.413 59.141 58.000 -0.452 0.000 1.293 53 F CB -0.874 38.037 39.000 -0.148 0.000 1.013 53 F HN 0.209 nan 8.300 nan 0.000 0.486 54 A N -0.218 122.552 122.820 -0.083 0.000 1.902 54 A HA -0.179 4.132 4.320 -0.014 0.000 0.217 54 A C 2.060 179.500 177.584 -0.239 0.000 1.181 54 A CA 1.551 53.402 52.037 -0.309 0.000 0.623 54 A CB -1.004 17.490 19.000 -0.844 0.000 0.818 54 A HN 0.342 nan 8.150 nan 0.000 0.443 55 L N -0.187 121.020 121.223 -0.026 0.000 2.017 55 L HA -0.040 4.292 4.340 -0.014 0.000 0.208 55 L C 2.722 179.562 176.870 -0.049 0.000 1.073 55 L CA 2.213 57.162 54.840 0.182 0.000 0.745 55 L CB -1.015 41.225 42.059 0.302 0.000 0.894 55 L HN 0.351 nan 8.230 nan 0.000 0.432 56 A N -1.172 121.435 122.820 -0.354 0.000 1.892 56 A HA -0.316 3.996 4.320 -0.014 0.000 0.218 56 A C 2.161 179.365 177.584 -0.633 0.000 1.188 56 A CA 2.220 53.907 52.037 -0.583 0.000 0.631 56 A CB -1.189 17.111 19.000 -1.167 0.000 0.822 56 A HN 0.705 nan 8.150 nan 0.000 0.447 57 H N -1.007 117.734 119.070 -0.548 0.000 2.423 57 H HA -0.044 4.504 4.556 -0.014 0.000 0.297 57 H C 2.329 177.368 175.328 -0.481 0.000 1.075 57 H CA 1.827 57.480 56.048 -0.659 0.000 1.342 57 H CB -0.091 29.027 29.762 -1.072 0.000 1.395 57 H HN 0.483 nan 8.280 nan 0.000 0.530 58 T N -0.329 114.163 114.554 -0.104 0.000 2.737 58 T HA -0.123 4.219 4.350 -0.014 0.000 0.265 58 T C 2.256 177.122 174.700 0.277 0.000 1.038 58 T CA 1.297 63.526 62.100 0.215 0.000 1.144 58 T CB -0.351 68.703 68.868 0.310 0.000 0.866 58 T HN 0.096 nan 8.240 nan 0.000 0.434 59 V N 1.603 121.633 119.914 0.193 0.000 2.358 59 V HA -0.129 3.982 4.120 -0.014 0.000 0.246 59 V C 2.629 178.893 176.094 0.284 0.000 1.047 59 V CA 1.577 64.022 62.300 0.242 0.000 1.035 59 V CB -0.652 31.311 31.823 0.234 0.000 0.658 59 V HN 0.368 nan 8.190 nan 0.000 0.452 60 R N 0.300 120.917 120.500 0.195 0.000 2.103 60 R HA -0.243 4.089 4.340 -0.014 0.000 0.242 60 R C 2.024 178.434 176.300 0.183 0.000 1.142 60 R CA 2.306 58.518 56.100 0.187 0.000 0.960 60 R CB -0.513 29.738 30.300 -0.082 0.000 0.858 60 R HN 0.482 nan 8.270 nan 0.000 0.439 61 D N -0.118 120.382 120.400 0.166 0.000 2.149 61 D HA -0.199 4.433 4.640 -0.014 0.000 0.194 61 D C 1.815 178.151 176.300 0.059 0.000 1.001 61 D CA 1.340 55.414 54.000 0.123 0.000 0.849 61 D CB -0.529 40.342 40.800 0.118 0.000 0.939 61 D HN 0.498 nan 8.370 nan 0.000 0.449 62 H N -0.327 118.807 119.070 0.106 0.000 2.491 62 H HA 0.001 4.549 4.556 -0.013 0.000 0.290 62 H C 2.320 177.689 175.328 0.068 0.000 1.050 62 H CA 0.412 56.506 56.048 0.077 0.000 1.309 62 H CB 0.149 29.947 29.762 0.061 0.000 1.392 62 H HN 0.201 nan 8.280 nan 0.000 0.554 63 L N 0.616 121.951 121.223 0.186 0.000 2.109 63 L HA -0.128 4.203 4.340 -0.014 0.000 0.207 63 L C 2.829 179.808 176.870 0.182 0.000 1.086 63 L CA 0.671 55.585 54.840 0.124 0.000 0.760 63 L CB -0.210 41.891 42.059 0.069 0.000 0.910 63 L HN 0.137 nan 8.230 nan 0.000 0.437 64 V N -2.546 117.498 119.914 0.218 0.000 2.343 64 V HA -0.112 3.999 4.120 -0.014 0.000 0.247 64 V C 2.305 178.512 176.094 0.190 0.000 1.051 64 V CA 1.906 64.376 62.300 0.284 0.000 1.036 64 V CB -1.718 30.237 31.823 0.220 0.000 0.654 64 V HN 0.378 nan 8.190 nan 0.000 0.451 65 G N 0.398 109.263 108.800 0.108 0.000 2.446 65 G HA2 -0.245 3.706 3.960 -0.014 0.000 0.217 65 G HA3 -0.245 3.706 3.960 -0.014 0.000 0.217 65 G C 1.757 176.698 174.900 0.067 0.000 1.168 65 G CA 1.029 46.165 45.100 0.060 0.000 0.771 65 G HN 0.542 nan 8.290 nan 0.000 0.551 66 R N -1.436 119.113 120.500 0.083 0.000 2.075 66 R HA -0.069 4.262 4.340 -0.014 0.000 0.232 66 R C 2.266 178.640 176.300 0.124 0.000 1.126 66 R CA 1.169 57.306 56.100 0.062 0.000 0.963 66 R CB -0.385 29.937 30.300 0.036 0.000 0.858 66 R HN 0.475 nan 8.270 nan 0.000 0.435 67 W N 1.617 122.892 121.300 -0.042 0.000 2.333 67 W HA -0.100 4.552 4.660 -0.013 0.000 0.316 67 W C 1.730 178.214 176.519 -0.059 0.000 1.215 67 W CA 1.023 58.339 57.345 -0.048 0.000 1.278 67 W CB -0.648 28.804 29.460 -0.014 0.000 1.154 67 W HN -0.032 nan 8.180 nan 0.000 0.486 68 I N 0.986 121.599 120.570 0.071 0.000 2.226 68 I HA -0.351 3.811 4.170 -0.014 0.000 0.245 68 I C 2.702 178.792 176.117 -0.045 0.000 1.100 68 I CA 2.110 63.369 61.300 -0.068 0.000 1.374 68 I CB -0.675 37.291 38.000 -0.057 0.000 1.057 68 I HN -0.009 nan 8.210 nan 0.000 0.413 69 R N 0.366 120.857 120.500 -0.015 0.000 2.148 69 R HA -0.063 4.269 4.340 -0.014 0.000 0.223 69 R C 1.913 178.172 176.300 -0.069 0.000 1.088 69 R CA 1.571 57.654 56.100 -0.028 0.000 0.985 69 R CB -1.130 29.156 30.300 -0.024 0.000 0.880 69 R HN 0.179 nan 8.270 nan 0.000 0.451 70 T N 1.561 116.051 114.554 -0.107 0.000 2.674 70 T HA -0.095 4.247 4.350 -0.014 0.000 0.265 70 T C 1.795 176.215 174.700 -0.466 0.000 1.039 70 T CA 1.321 63.246 62.100 -0.292 0.000 1.150 70 T CB -0.114 68.620 68.868 -0.224 0.000 0.864 70 T HN 0.245 nan 8.240 nan 0.000 0.427 71 Q N 0.816 120.485 119.800 -0.218 0.000 2.167 71 Q HA -0.065 4.267 4.340 -0.014 0.000 0.202 71 Q C 2.316 178.307 176.000 -0.014 0.000 0.970 71 Q CA 1.192 56.938 55.803 -0.095 0.000 0.855 71 Q CB -0.481 28.227 28.738 -0.049 0.000 0.911 71 Q HN 0.521 nan 8.270 nan 0.000 0.438 72 Q N 0.215 119.999 119.800 -0.027 0.000 2.050 72 Q HA -0.197 4.134 4.340 -0.014 0.000 0.202 72 Q C 1.934 178.002 176.000 0.113 0.000 0.980 72 Q CA 1.939 57.770 55.803 0.047 0.000 0.840 72 Q CB -0.379 28.373 28.738 0.024 0.000 0.898 72 Q HN 0.546 nan 8.270 nan 0.000 0.424 73 H N -1.075 117.958 119.070 -0.063 0.000 2.352 73 H HA -0.181 4.367 4.556 -0.014 0.000 0.299 73 H C 1.138 176.521 175.328 0.091 0.000 1.097 73 H CA 2.236 58.260 56.048 -0.040 0.000 1.311 73 H CB -0.226 29.449 29.762 -0.146 0.000 1.377 73 H HN 0.378 nan 8.280 nan 0.000 0.504 74 Y N -1.284 119.063 120.300 0.077 0.000 2.293 74 Y HA -0.157 4.384 4.550 -0.014 0.000 0.291 74 Y C 2.317 178.257 175.900 0.067 0.000 1.137 74 Y CA 0.896 59.016 58.100 0.034 0.000 1.202 74 Y CB -1.211 37.317 38.460 0.114 0.000 0.990 74 Y HN 0.329 nan 8.280 nan 0.000 0.537 75 Y N 1.409 121.782 120.300 0.121 0.000 2.181 75 Y HA -0.191 4.350 4.550 -0.014 0.000 0.288 75 Y C 2.123 178.026 175.900 0.004 0.000 1.146 75 Y CA 1.633 59.766 58.100 0.055 0.000 1.164 75 Y CB -0.093 38.389 38.460 0.037 0.000 0.982 75 Y HN 0.102 nan 8.280 nan 0.000 0.515 76 E N 0.016 120.223 120.200 0.011 0.000 2.015 76 E HA -0.160 4.182 4.350 -0.014 0.000 0.191 76 E C 1.978 178.499 176.600 -0.133 0.000 0.991 76 E CA 1.112 57.458 56.400 -0.091 0.000 0.802 76 E CB -0.305 29.372 29.700 -0.039 0.000 0.759 76 E HN 0.338 nan 8.360 nan 0.000 0.447 77 K N 0.945 121.247 120.400 -0.164 0.000 2.288 77 K HA -0.089 4.223 4.320 -0.014 0.000 0.201 77 K C 0.065 176.610 176.600 -0.092 0.000 1.048 77 K CA 0.514 56.708 56.287 -0.155 0.000 0.956 77 K CB -0.451 31.891 32.500 -0.264 0.000 0.746 77 K HN 0.125 nan 8.250 nan 0.000 0.461 78 D N 0.819 121.178 120.400 -0.068 0.000 2.740 78 D HA -0.113 4.518 4.640 -0.014 0.000 0.231 78 D C -2.321 173.956 176.300 -0.039 0.000 1.194 78 D CA 0.092 54.061 54.000 -0.050 0.000 0.673 78 D CB -0.107 40.634 40.800 -0.098 0.000 0.995 78 D HN 0.175 nan 8.370 nan 0.000 0.411 79 P HA 0.117 nan 4.420 nan 0.000 0.277 79 P C -0.222 177.041 177.300 -0.062 0.000 1.271 79 P CA -0.645 62.423 63.100 -0.053 0.000 0.795 79 P CB 0.622 32.275 31.700 -0.079 0.000 1.101 80 K N 1.021 121.387 120.400 -0.057 0.000 2.412 80 K HA 0.066 4.378 4.320 -0.014 0.000 0.281 80 K C -0.094 176.430 176.600 -0.128 0.000 1.027 80 K CA 0.021 56.269 56.287 -0.064 0.000 0.989 80 K CB 0.186 32.665 32.500 -0.035 0.000 0.935 80 K HN 0.261 nan 8.250 nan 0.000 0.475 81 R N 3.777 124.192 120.500 -0.143 0.000 2.407 81 R HA 0.333 4.665 4.340 -0.014 0.000 0.303 81 R C -0.567 175.487 176.300 -0.410 0.000 0.981 81 R CA -0.590 55.351 56.100 -0.266 0.000 0.905 81 R CB 0.880 31.044 30.300 -0.226 0.000 1.099 81 R HN 0.495 nan 8.270 nan 0.000 0.459 82 I N 4.470 124.740 120.570 -0.500 0.000 2.321 82 I HA 0.191 4.352 4.170 -0.014 0.000 0.291 82 I C -0.579 175.227 176.117 -0.518 0.000 0.998 82 I CA -0.817 60.140 61.300 -0.570 0.000 1.227 82 I CB 0.590 38.150 38.000 -0.733 0.000 1.368 82 I HN 0.531 nan 8.210 nan 0.000 0.466 83 Y N 6.090 126.342 120.300 -0.079 0.000 2.356 83 Y HA 0.291 4.833 4.550 -0.013 0.000 0.334 83 Y C -0.278 175.706 175.900 0.139 0.000 0.958 83 Y CA -0.686 57.478 58.100 0.107 0.000 1.196 83 Y CB 1.076 39.550 38.460 0.022 0.000 1.137 83 Y HN 0.412 nan 8.280 nan 0.000 0.485 84 Y N 4.612 125.073 120.300 0.268 0.000 2.504 84 Y HA 0.493 5.035 4.550 -0.013 0.000 0.339 84 Y C -1.322 174.831 175.900 0.421 0.000 0.974 84 Y CA -0.973 57.297 58.100 0.283 0.000 1.232 84 Y CB 0.316 38.940 38.460 0.274 0.000 1.108 84 Y HN 0.513 nan 8.280 nan 0.000 0.509 85 L N 5.129 126.402 121.223 0.084 0.000 2.264 85 L HA 0.481 4.812 4.340 -0.014 0.000 0.289 85 L C -0.224 176.664 176.870 0.030 0.000 1.044 85 L CA 0.104 55.053 54.840 0.181 0.000 0.807 85 L CB 1.316 43.453 42.059 0.131 0.000 1.192 85 L HN 0.567 nan 8.230 nan 0.000 0.425 86 S N 2.421 118.211 115.700 0.150 0.000 2.540 86 S HA 0.525 4.987 4.470 -0.014 0.000 0.275 86 S C 0.305 174.967 174.600 0.103 0.000 1.123 86 S CA -0.502 57.673 58.200 -0.041 0.000 0.907 86 S CB 1.079 64.013 63.200 -0.443 0.000 1.081 86 S HN 0.478 nan 8.310 nan 0.000 0.476 87 L N 2.790 124.112 121.223 0.166 0.000 2.591 87 L HA 0.429 4.761 4.340 -0.014 0.000 0.228 87 L C 0.317 177.359 176.870 0.286 0.000 1.133 87 L CA 0.934 55.939 54.840 0.275 0.000 0.880 87 L CB -0.047 42.183 42.059 0.285 0.000 1.033 87 L HN 0.638 nan 8.230 nan 0.000 0.450 88 E N -1.155 119.078 120.200 0.055 0.000 2.275 88 E HA 0.414 4.756 4.350 -0.014 0.000 0.270 88 E C -1.387 175.063 176.600 -0.250 0.000 0.882 88 E CA -0.442 55.977 56.400 0.032 0.000 0.758 88 E CB 1.860 31.563 29.700 0.005 0.000 1.195 88 E HN -0.159 nan 8.360 nan 0.000 0.419 89 F N 2.198 122.239 119.950 0.153 0.000 2.716 89 F HA 0.178 4.696 4.527 -0.014 0.000 0.354 89 F C -0.859 175.014 175.800 0.121 0.000 1.168 89 F CA -0.792 57.289 58.000 0.134 0.000 1.045 89 F CB 0.995 40.064 39.000 0.115 0.000 1.311 89 F HN 0.483 nan 8.300 nan 0.000 0.477 90 Y N 5.293 125.661 120.300 0.112 0.000 2.714 90 Y HA 0.237 4.779 4.550 -0.013 0.000 0.333 90 Y C 0.910 176.821 175.900 0.019 0.000 1.220 90 Y CA -1.101 57.015 58.100 0.027 0.000 1.513 90 Y CB 0.373 38.830 38.460 -0.006 0.000 1.435 90 Y HN 0.553 nan 8.280 nan 0.000 0.489 91 M N 1.617 121.362 119.600 0.242 0.000 2.288 91 M HA 0.105 4.577 4.480 -0.014 0.000 0.266 91 M C 1.601 177.881 176.300 -0.033 0.000 1.072 91 M CA 1.053 56.392 55.300 0.066 0.000 1.132 91 M CB -1.242 31.365 32.600 0.012 0.000 1.386 91 M HN 0.708 nan 8.290 nan 0.000 0.432 92 G N 1.285 110.085 108.800 0.000 0.000 2.564 92 G HA2 -0.290 3.662 3.960 -0.014 0.000 0.273 92 G HA3 -0.290 3.662 3.960 -0.014 0.000 0.273 92 G C -0.189 174.666 174.900 -0.075 0.000 1.242 92 G CA -0.188 44.865 45.100 -0.078 0.000 0.951 92 G HN 0.450 nan 8.290 nan 0.000 0.564 93 R N -0.684 119.749 120.500 -0.112 0.000 2.531 93 R HA 0.557 4.889 4.340 -0.014 0.000 0.273 93 R C 1.097 177.277 176.300 -0.201 0.000 1.070 93 R CA 0.329 56.370 56.100 -0.099 0.000 1.112 93 R CB 0.737 30.985 30.300 -0.088 0.000 1.049 93 R HN 0.518 nan 8.270 nan 0.000 0.508 94 T N 1.237 115.624 114.554 -0.279 0.000 2.978 94 T HA -0.008 4.333 4.350 -0.014 0.000 0.248 94 T C 1.435 175.768 174.700 -0.613 0.000 1.018 94 T CA -0.120 61.607 62.100 -0.621 0.000 1.026 94 T CB 0.134 68.249 68.868 -1.256 0.000 1.032 94 T HN 0.330 nan 8.240 nan 0.000 0.485 95 L N 1.902 122.987 121.223 -0.230 0.000 1.970 95 L HA -0.035 4.297 4.340 -0.014 0.000 0.212 95 L C 2.456 179.293 176.870 -0.055 0.000 1.071 95 L CA 2.021 56.880 54.840 0.031 0.000 0.751 95 L CB -0.652 41.624 42.059 0.363 0.000 0.889 95 L HN 0.176 nan 8.230 nan 0.000 0.432 96 Q N -0.765 118.998 119.800 -0.062 0.000 2.084 96 Q HA -0.246 4.085 4.340 -0.014 0.000 0.202 96 Q C 2.238 178.164 176.000 -0.122 0.000 0.978 96 Q CA 1.779 57.538 55.803 -0.073 0.000 0.844 96 Q CB -0.308 28.382 28.738 -0.079 0.000 0.898 96 Q HN 0.695 nan 8.270 nan 0.000 0.426 97 N N -0.945 117.643 118.700 -0.186 0.000 2.149 97 N HA -0.153 4.578 4.740 -0.014 0.000 0.188 97 N C 1.348 176.747 175.510 -0.185 0.000 1.019 97 N CA 1.821 54.750 53.050 -0.201 0.000 0.857 97 N CB 0.063 38.395 38.487 -0.258 0.000 0.997 97 N HN 0.231 nan 8.380 nan 0.000 0.426 98 T N 1.295 115.706 114.554 -0.239 0.000 2.777 98 T HA -0.050 4.291 4.350 -0.014 0.000 0.266 98 T C 2.091 176.725 174.700 -0.111 0.000 1.040 98 T CA 1.038 63.014 62.100 -0.207 0.000 1.141 98 T CB -0.071 68.628 68.868 -0.282 0.000 0.868 98 T HN 0.255 nan 8.240 nan 0.000 0.444 99 M N 0.652 120.204 119.600 -0.080 0.000 2.080 99 M HA -0.108 4.363 4.480 -0.014 0.000 0.260 99 M C 2.501 178.764 176.300 -0.062 0.000 1.068 99 M CA 1.361 56.627 55.300 -0.057 0.000 1.109 99 M CB -0.757 31.825 32.600 -0.031 0.000 1.342 99 M HN 0.096 nan 8.290 nan 0.000 0.405 100 V N 1.032 120.916 119.914 -0.051 0.000 2.255 100 V HA -0.294 3.817 4.120 -0.014 0.000 0.247 100 V C 1.829 177.926 176.094 0.005 0.000 1.051 100 V CA 2.080 64.376 62.300 -0.008 0.000 1.018 100 V CB -0.929 30.894 31.823 -0.001 0.000 0.641 100 V HN 0.480 nan 8.190 nan 0.000 0.445 101 N N -0.429 118.262 118.700 -0.016 0.000 2.459 101 N HA -0.044 4.688 4.740 -0.014 0.000 0.181 101 N C 1.103 176.515 175.510 -0.162 0.000 1.046 101 N CA 0.730 53.752 53.050 -0.048 0.000 0.904 101 N CB -0.123 38.347 38.487 -0.028 0.000 0.964 101 N HN 0.294 nan 8.380 nan 0.000 0.444 102 L N -0.286 120.860 121.223 -0.128 0.000 2.640 102 L HA 0.396 4.728 4.340 -0.014 0.000 0.230 102 L C 0.606 177.395 176.870 -0.135 0.000 1.123 102 L CA -0.182 54.584 54.840 -0.124 0.000 0.900 102 L CB -0.674 41.335 42.059 -0.084 0.000 1.146 102 L HN 0.104 nan 8.230 nan 0.000 0.484 103 A N -0.608 122.128 122.820 -0.141 0.000 2.930 103 A HA -0.209 4.102 4.320 -0.014 0.000 0.273 103 A C 1.009 178.536 177.584 -0.095 0.000 1.435 103 A CA 0.904 52.869 52.037 -0.120 0.000 0.780 103 A CB -1.962 16.955 19.000 -0.138 0.000 1.034 103 A HN 0.203 nan 8.150 nan 0.000 0.562 104 L N -0.780 120.387 121.223 -0.094 0.000 2.766 104 L HA 0.269 4.601 4.340 -0.014 0.000 0.242 104 L C 1.804 178.634 176.870 -0.066 0.000 1.136 104 L CA 1.513 56.292 54.840 -0.102 0.000 0.933 104 L CB -0.223 41.746 42.059 -0.150 0.000 1.241 104 L HN 0.628 nan 8.230 nan 0.000 0.522 105 E N -0.206 119.964 120.200 -0.049 0.000 2.051 105 E HA -0.221 4.121 4.350 -0.014 0.000 0.192 105 E C 1.551 178.135 176.600 -0.027 0.000 0.991 105 E CA 1.322 57.704 56.400 -0.031 0.000 0.799 105 E CB 0.297 29.982 29.700 -0.026 0.000 0.748 105 E HN 0.395 nan 8.360 nan 0.000 0.449 106 N N 0.153 118.835 118.700 -0.031 0.000 2.142 106 N HA -0.110 4.622 4.740 -0.014 0.000 0.186 106 N C 1.593 177.085 175.510 -0.030 0.000 1.023 106 N CA 1.231 54.263 53.050 -0.031 0.000 0.852 106 N CB -0.410 38.058 38.487 -0.032 0.000 0.998 106 N HN 0.221 nan 8.380 nan 0.000 0.424 107 A N 0.498 123.298 122.820 -0.033 0.000 1.883 107 A HA -0.165 4.147 4.320 -0.014 0.000 0.217 107 A C 2.659 180.231 177.584 -0.020 0.000 1.186 107 A CA 1.477 53.497 52.037 -0.028 0.000 0.624 107 A CB -1.056 17.920 19.000 -0.041 0.000 0.822 107 A HN 0.449 nan 8.150 nan 0.000 0.444 108 C N -0.903 118.384 119.300 -0.021 0.000 2.440 108 C HA -0.059 4.393 4.460 -0.014 0.000 0.278 108 C C 2.466 177.454 174.990 -0.004 0.000 1.295 108 C CA 1.067 60.083 59.018 -0.004 0.000 1.738 108 C CB -1.140 26.607 27.740 0.012 0.000 1.987 108 C HN 0.713 nan 8.230 nan 0.000 0.492 109 D N 0.781 121.179 120.400 -0.004 0.000 2.117 109 D HA -0.148 4.484 4.640 -0.014 0.000 0.197 109 D C 2.124 178.434 176.300 0.017 0.000 0.987 109 D CA 1.525 55.526 54.000 0.002 0.000 0.829 109 D CB -0.231 40.560 40.800 -0.015 0.000 0.961 109 D HN 0.438 nan 8.370 nan 0.000 0.460 110 E N 0.172 120.373 120.200 0.002 0.000 2.047 110 E HA -0.034 4.307 4.350 -0.014 0.000 0.191 110 E C 1.914 178.544 176.600 0.050 0.000 0.987 110 E CA 1.593 58.008 56.400 0.025 0.000 0.799 110 E CB -0.659 29.039 29.700 -0.003 0.000 0.752 110 E HN 0.219 nan 8.360 nan 0.000 0.449 111 A N -0.129 122.691 122.820 0.001 0.000 1.908 111 A HA -0.222 4.089 4.320 -0.014 0.000 0.218 111 A C 2.463 179.977 177.584 -0.117 0.000 1.181 111 A CA 2.883 54.897 52.037 -0.039 0.000 0.627 111 A CB -1.397 17.583 19.000 -0.033 0.000 0.818 111 A HN 0.518 nan 8.150 nan 0.000 0.445 112 T N -3.805 110.677 114.554 -0.120 0.000 2.857 112 T HA -0.186 4.155 4.350 -0.014 0.000 0.266 112 T C 1.854 176.477 174.700 -0.129 0.000 1.048 112 T CA 1.410 63.385 62.100 -0.209 0.000 1.139 112 T CB -0.615 68.166 68.868 -0.145 0.000 0.874 112 T HN 0.456 nan 8.240 nan 0.000 0.455 113 Y N 2.290 122.512 120.300 -0.130 0.000 2.165 113 Y HA -0.149 4.393 4.550 -0.013 0.000 0.286 113 Y C 2.594 178.432 175.900 -0.102 0.000 1.155 113 Y CA 1.680 59.721 58.100 -0.098 0.000 1.164 113 Y CB -0.466 37.955 38.460 -0.065 0.000 0.978 113 Y HN 0.255 nan 8.280 nan 0.000 0.513 114 Q N -1.010 118.750 119.800 -0.066 0.000 2.369 114 Q HA -0.090 4.242 4.340 -0.014 0.000 0.206 114 Q C 1.403 177.288 176.000 -0.192 0.000 0.963 114 Q CA 0.610 56.336 55.803 -0.129 0.000 0.894 114 Q CB 0.019 28.746 28.738 -0.019 0.000 0.965 114 Q HN 0.359 nan 8.270 nan 0.000 0.475 115 L N -0.981 120.101 121.223 -0.235 0.000 2.591 115 L HA 0.167 4.498 4.340 -0.014 0.000 0.228 115 L C 1.081 177.783 176.870 -0.279 0.000 1.133 115 L CA 1.108 55.788 54.840 -0.267 0.000 0.880 115 L CB -0.265 41.547 42.059 -0.411 0.000 1.033 115 L HN 0.293 nan 8.230 nan 0.000 0.450 116 G N -0.001 108.616 108.800 -0.304 0.000 2.171 116 G HA2 -0.234 3.718 3.960 -0.014 0.000 0.238 116 G HA3 -0.234 3.718 3.960 -0.014 0.000 0.238 116 G C -0.039 174.713 174.900 -0.246 0.000 1.039 116 G CA 0.189 45.118 45.100 -0.285 0.000 0.759 116 G HN 0.265 nan 8.290 nan 0.000 0.501 117 L N -0.294 120.784 121.223 -0.242 0.000 2.370 117 L HA 0.612 4.944 4.340 -0.014 0.000 0.266 117 L C -0.613 176.217 176.870 -0.068 0.000 1.002 117 L CA -1.201 53.531 54.840 -0.180 0.000 0.818 117 L CB 1.966 43.863 42.059 -0.270 0.000 1.325 117 L HN 0.084 nan 8.230 nan 0.000 0.418 118 D N 2.039 122.431 120.400 -0.013 0.000 2.359 118 D HA 0.190 4.821 4.640 -0.014 0.000 0.230 118 D C 0.611 176.937 176.300 0.043 0.000 1.118 118 D CA -0.190 53.831 54.000 0.035 0.000 0.844 118 D CB 1.554 42.380 40.800 0.044 0.000 1.059 118 D HN 0.502 nan 8.370 nan 0.000 0.493 119 M N 3.100 122.727 119.600 0.046 0.000 2.213 119 M HA -0.130 4.342 4.480 -0.014 0.000 0.263 119 M C 1.326 177.663 176.300 0.062 0.000 1.062 119 M CA 1.458 56.793 55.300 0.057 0.000 1.105 119 M CB 0.223 32.850 32.600 0.046 0.000 1.385 119 M HN 0.432 nan 8.290 nan 0.000 0.417 120 E N -0.182 120.046 120.200 0.046 0.000 2.110 120 E HA -0.254 4.088 4.350 -0.014 0.000 0.193 120 E C 1.842 178.466 176.600 0.040 0.000 0.988 120 E CA 1.338 57.760 56.400 0.037 0.000 0.804 120 E CB -0.180 29.539 29.700 0.032 0.000 0.745 120 E HN 0.627 nan 8.360 nan 0.000 0.458 121 E N 0.551 120.781 120.200 0.050 0.000 2.077 121 E HA -0.206 4.135 4.350 -0.014 0.000 0.193 121 E C 1.959 178.593 176.600 0.057 0.000 0.989 121 E CA 0.710 57.142 56.400 0.052 0.000 0.800 121 E CB 0.152 29.887 29.700 0.060 0.000 0.746 121 E HN 0.082 nan 8.360 nan 0.000 0.452 122 L N 1.367 122.646 121.223 0.093 0.000 2.093 122 L HA -0.126 4.206 4.340 -0.014 0.000 0.208 122 L C 2.094 179.007 176.870 0.073 0.000 1.085 122 L CA 1.586 56.512 54.840 0.143 0.000 0.755 122 L CB -0.644 41.557 42.059 0.236 0.000 0.904 122 L HN 0.133 nan 8.230 nan 0.000 0.435 123 E N -0.714 119.520 120.200 0.056 0.000 2.153 123 E HA -0.190 4.152 4.350 -0.014 0.000 0.194 123 E C 1.857 178.400 176.600 -0.094 0.000 0.988 123 E CA 0.769 57.171 56.400 0.002 0.000 0.811 123 E CB 0.054 29.764 29.700 0.017 0.000 0.746 123 E HN 0.407 nan 8.360 nan 0.000 0.466 124 E N 0.186 120.346 120.200 -0.067 0.000 2.347 124 E HA -0.104 4.238 4.350 -0.014 0.000 0.196 124 E C 1.887 178.410 176.600 -0.129 0.000 1.008 124 E CA 0.519 56.880 56.400 -0.066 0.000 0.852 124 E CB 0.059 29.756 29.700 -0.006 0.000 0.783 124 E HN 0.388 nan 8.360 nan 0.000 0.505 125 I N 1.065 121.498 120.570 -0.228 0.000 2.546 125 I HA -0.132 4.030 4.170 -0.014 0.000 0.255 125 I C 1.402 177.211 176.117 -0.514 0.000 1.163 125 I CA 0.356 61.460 61.300 -0.327 0.000 1.457 125 I CB 0.070 37.885 38.000 -0.309 0.000 1.092 125 I HN -0.022 nan 8.210 nan 0.000 0.434 126 E N 2.754 122.519 120.200 -0.725 0.000 2.415 126 E HA -0.038 4.303 4.350 -0.014 0.000 0.263 126 E C -0.249 176.258 176.600 -0.154 0.000 0.995 126 E CA -0.213 55.842 56.400 -0.575 0.000 0.915 126 E CB 0.569 30.037 29.700 -0.388 0.000 0.951 126 E HN 0.130 nan 8.360 nan 0.000 0.449 127 E N 3.671 123.877 120.200 0.010 0.000 2.354 127 E HA 0.045 4.386 4.350 -0.014 0.000 0.269 127 E C -0.740 175.952 176.600 0.152 0.000 1.036 127 E CA -0.187 56.296 56.400 0.139 0.000 0.876 127 E CB 0.612 30.484 29.700 0.287 0.000 1.009 127 E HN 0.500 nan 8.360 nan 0.000 0.416 128 D N 0.928 121.395 120.400 0.112 0.000 2.458 128 D HA 0.130 4.762 4.640 -0.014 0.000 0.243 128 D C -0.306 176.032 176.300 0.063 0.000 1.146 128 D CA 0.278 54.325 54.000 0.078 0.000 0.877 128 D CB 0.522 41.366 40.800 0.073 0.000 1.176 128 D HN 0.401 nan 8.370 nan 0.000 0.461 129 A N 2.843 125.658 122.820 -0.009 0.000 2.544 129 A HA 0.455 4.767 4.320 -0.014 0.000 0.301 129 A C 1.059 178.484 177.584 -0.265 0.000 1.368 129 A CA -0.329 51.502 52.037 -0.344 0.000 1.045 129 A CB -0.132 18.730 19.000 -0.230 0.000 1.129 129 A HN 0.587 nan 8.150 nan 0.000 0.540 130 G N 2.315 110.865 108.800 -0.415 0.000 4.178 130 G HA2 0.421 4.372 3.960 -0.014 0.000 0.287 130 G HA3 0.421 4.372 3.960 -0.014 0.000 0.287 130 G C 0.332 174.910 174.900 -0.536 0.000 1.293 130 G CA -0.309 44.578 45.100 -0.353 0.000 1.393 130 G HN 0.691 nan 8.290 nan 0.000 0.623 131 L N 1.219 122.205 121.223 -0.396 0.000 2.779 131 L HA 0.332 4.663 4.340 -0.014 0.000 0.239 131 L C 1.070 177.859 176.870 -0.135 0.000 1.245 131 L CA -0.089 54.658 54.840 -0.155 0.000 1.064 131 L CB -0.327 41.761 42.059 0.048 0.000 1.350 131 L HN 0.328 nan 8.230 nan 0.000 0.455 132 G N -1.391 107.102 108.800 -0.513 0.000 2.684 132 G HA2 0.218 4.169 3.960 -0.014 0.000 0.290 132 G HA3 0.218 4.169 3.960 -0.014 0.000 0.290 132 G C -0.056 174.464 174.900 -0.633 0.000 1.425 132 G CA -0.454 44.383 45.100 -0.438 0.000 0.822 132 G HN -0.110 nan 8.290 nan 0.000 0.482 133 N N -0.736 117.808 118.700 -0.259 0.000 2.368 133 N HA 0.175 4.907 4.740 -0.014 0.000 0.178 133 N C 1.154 176.692 175.510 0.047 0.000 1.021 133 N CA 1.302 54.268 53.050 -0.140 0.000 0.875 133 N CB 1.061 39.531 38.487 -0.028 0.000 1.020 133 N HN 0.774 nan 8.380 nan 0.000 0.433 134 G N -0.717 108.178 108.800 0.158 0.000 2.818 134 G HA2 0.214 4.166 3.960 -0.014 0.000 0.109 134 G HA3 0.214 4.166 3.960 -0.014 0.000 0.109 134 G C 0.655 175.650 174.900 0.157 0.000 1.206 134 G CA 0.237 45.463 45.100 0.211 0.000 1.243 134 G HN 0.153 nan 8.290 nan 0.000 0.609 135 G N 0.133 108.976 108.800 0.073 0.000 2.422 135 G HA2 0.057 4.008 3.960 -0.014 0.000 0.218 135 G HA3 0.057 4.008 3.960 -0.014 0.000 0.218 135 G C 1.828 176.716 174.900 -0.019 0.000 1.146 135 G CA 1.718 46.828 45.100 0.017 0.000 0.769 135 G HN 0.681 nan 8.290 nan 0.000 0.547 136 L N 1.517 122.711 121.223 -0.047 0.000 2.017 136 L HA 0.149 4.481 4.340 -0.014 0.000 0.208 136 L C 2.757 179.565 176.870 -0.103 0.000 1.073 136 L CA 2.500 57.241 54.840 -0.164 0.000 0.745 136 L CB -1.008 40.911 42.059 -0.233 0.000 0.894 136 L HN 0.146 nan 8.230 nan 0.000 0.432 137 G N -1.166 107.627 108.800 -0.012 0.000 2.408 137 G HA2 -0.249 3.703 3.960 -0.014 0.000 0.217 137 G HA3 -0.249 3.703 3.960 -0.014 0.000 0.217 137 G C 1.759 176.729 174.900 0.118 0.000 1.150 137 G CA 0.485 45.608 45.100 0.039 0.000 0.776 137 G HN 0.240 nan 8.290 nan 0.000 0.542 138 R N 0.142 120.719 120.500 0.127 0.000 2.090 138 R HA 0.120 4.451 4.340 -0.014 0.000 0.228 138 R C 2.429 178.729 176.300 0.001 0.000 1.110 138 R CA 0.675 56.825 56.100 0.083 0.000 0.973 138 R CB -1.058 29.253 30.300 0.018 0.000 0.869 138 R HN 0.379 nan 8.270 nan 0.000 0.440 139 L N 0.718 121.877 121.223 -0.107 0.000 2.012 139 L HA -0.092 4.239 4.340 -0.014 0.000 0.210 139 L C 2.195 178.784 176.870 -0.468 0.000 1.073 139 L CA 2.286 56.923 54.840 -0.339 0.000 0.748 139 L CB -0.842 40.986 42.059 -0.384 0.000 0.891 139 L HN 0.206 nan 8.230 nan 0.000 0.431 140 A N -0.661 122.026 122.820 -0.221 0.000 1.908 140 A HA -0.178 4.133 4.320 -0.014 0.000 0.218 140 A C 2.437 180.093 177.584 0.120 0.000 1.181 140 A CA 2.006 54.003 52.037 -0.068 0.000 0.627 140 A CB -1.180 17.760 19.000 -0.101 0.000 0.818 140 A HN 0.586 nan 8.150 nan 0.000 0.445 141 A N -1.098 121.816 122.820 0.157 0.000 1.873 141 A HA -0.151 4.160 4.320 -0.014 0.000 0.215 141 A C 2.322 179.980 177.584 0.123 0.000 1.186 141 A CA 1.631 53.776 52.037 0.181 0.000 0.616 141 A CB -1.279 17.815 19.000 0.157 0.000 0.823 141 A HN 0.600 nan 8.150 nan 0.000 0.442 142 C N -1.474 117.900 119.300 0.123 0.000 2.429 142 C HA -0.075 4.376 4.460 -0.014 0.000 0.277 142 C C 2.433 177.581 174.990 0.265 0.000 1.262 142 C CA 0.673 59.800 59.018 0.182 0.000 1.733 142 C CB -1.627 26.241 27.740 0.213 0.000 2.010 142 C HN 0.604 nan 8.230 nan 0.000 0.483 143 F N 1.239 121.175 119.950 -0.023 0.000 2.134 143 F HA -0.087 4.432 4.527 -0.014 0.000 0.299 143 F C 2.245 177.978 175.800 -0.112 0.000 1.097 143 F CA 1.058 58.989 58.000 -0.114 0.000 1.264 143 F CB -1.381 37.423 39.000 -0.327 0.000 1.001 143 F HN 0.200 nan 8.300 nan 0.000 0.479 144 L N -0.471 120.818 121.223 0.110 0.000 2.042 144 L HA -0.255 4.077 4.340 -0.014 0.000 0.210 144 L C 2.417 179.291 176.870 0.007 0.000 1.076 144 L CA 1.917 56.775 54.840 0.030 0.000 0.749 144 L CB -0.796 41.279 42.059 0.027 0.000 0.893 144 L HN 0.179 nan 8.230 nan 0.000 0.432 145 D N -0.162 120.254 120.400 0.026 0.000 2.104 145 D HA -0.179 4.453 4.640 -0.014 0.000 0.194 145 D C 2.094 178.406 176.300 0.021 0.000 0.994 145 D CA 1.751 55.754 54.000 0.005 0.000 0.830 145 D CB 0.311 41.114 40.800 0.005 0.000 0.959 145 D HN 0.227 nan 8.370 nan 0.000 0.452 146 S N -0.103 115.625 115.700 0.048 0.000 2.383 146 S HA -0.094 4.367 4.470 -0.014 0.000 0.227 146 S C 2.129 176.737 174.600 0.015 0.000 1.026 146 S CA 0.830 59.050 58.200 0.034 0.000 0.981 146 S CB -0.121 63.105 63.200 0.042 0.000 0.818 146 S HN 0.341 nan 8.310 nan 0.000 0.472 147 M N 0.939 120.540 119.600 0.002 0.000 2.159 147 M HA -0.103 4.369 4.480 -0.014 0.000 0.263 147 M C 2.434 178.735 176.300 0.001 0.000 1.063 147 M CA 1.440 56.740 55.300 -0.000 0.000 1.110 147 M CB -0.498 32.084 32.600 -0.030 0.000 1.374 147 M HN 0.394 nan 8.290 nan 0.000 0.411 148 A N -0.247 122.569 122.820 -0.007 0.000 1.897 148 A HA -0.112 4.200 4.320 -0.014 0.000 0.215 148 A C 2.168 179.764 177.584 0.019 0.000 1.181 148 A CA 1.968 54.004 52.037 -0.001 0.000 0.620 148 A CB -1.083 17.899 19.000 -0.031 0.000 0.821 148 A HN 0.412 nan 8.150 nan 0.000 0.443 149 T N 0.362 114.932 114.554 0.028 0.000 2.833 149 T HA -0.036 4.306 4.350 -0.014 0.000 0.269 149 T C 1.284 176.013 174.700 0.047 0.000 1.054 149 T CA 1.209 63.341 62.100 0.052 0.000 1.135 149 T CB -0.284 68.623 68.868 0.065 0.000 0.869 149 T HN 0.339 nan 8.240 nan 0.000 0.466 150 L N 0.391 121.637 121.223 0.039 0.000 2.653 150 L HA 0.316 4.648 4.340 -0.014 0.000 0.231 150 L C 1.596 178.496 176.870 0.050 0.000 1.153 150 L CA -0.131 54.735 54.840 0.042 0.000 0.933 150 L CB -0.347 41.736 42.059 0.040 0.000 1.175 150 L HN 0.380 nan 8.230 nan 0.000 0.473 151 G N 1.200 110.033 108.800 0.055 0.000 2.283 151 G HA2 -0.290 3.662 3.960 -0.014 0.000 0.280 151 G HA3 -0.290 3.662 3.960 -0.014 0.000 0.280 151 G C 0.101 175.052 174.900 0.085 0.000 1.029 151 G CA 0.115 45.264 45.100 0.083 0.000 0.840 151 G HN 0.297 nan 8.290 nan 0.000 0.505 152 L N -0.229 121.017 121.223 0.038 0.000 2.350 152 L HA 0.617 4.949 4.340 -0.014 0.000 0.275 152 L C 1.208 177.982 176.870 -0.160 0.000 1.099 152 L CA -0.394 54.428 54.840 -0.031 0.000 0.808 152 L CB 1.585 43.639 42.059 -0.009 0.000 1.149 152 L HN 0.246 nan 8.230 nan 0.000 0.442 153 A N 2.982 125.574 122.820 -0.380 0.000 2.981 153 A HA 0.562 4.874 4.320 -0.014 0.000 0.280 153 A C 0.275 177.523 177.584 -0.559 0.000 1.743 153 A CA -0.115 51.411 52.037 -0.851 0.000 1.430 153 A CB -0.715 17.637 19.000 -1.079 0.000 1.085 153 A HN 0.695 nan 8.150 nan 0.000 0.597 154 A N 1.565 124.104 122.820 -0.469 0.000 2.350 154 A HA 0.796 5.108 4.320 -0.014 0.000 0.324 154 A C -1.072 176.265 177.584 -0.413 0.000 1.118 154 A CA -0.474 51.353 52.037 -0.351 0.000 0.783 154 A CB 0.862 19.723 19.000 -0.231 0.000 1.236 154 A HN 0.611 nan 8.150 nan 0.000 0.457 155 Y N 0.345 120.568 120.300 -0.129 0.000 2.361 155 Y HA 0.538 5.080 4.550 -0.013 0.000 0.337 155 Y C 0.853 176.839 175.900 0.143 0.000 0.965 155 Y CA -0.541 57.566 58.100 0.012 0.000 1.091 155 Y CB 2.457 41.022 38.460 0.175 0.000 1.182 155 Y HN 0.835 nan 8.280 nan 0.000 0.450 156 G N 2.357 111.242 108.800 0.141 0.000 2.325 156 G HA2 0.440 4.392 3.960 -0.014 0.000 0.298 156 G HA3 0.440 4.392 3.960 -0.014 0.000 0.298 156 G C -1.712 173.205 174.900 0.028 0.000 1.134 156 G CA -0.218 44.988 45.100 0.177 0.000 0.876 156 G HN 0.528 nan 8.290 nan 0.000 0.452 157 Y N 1.076 121.599 120.300 0.371 0.000 2.376 157 Y HA 0.640 5.182 4.550 -0.014 0.000 0.340 157 Y C 0.770 176.967 175.900 0.494 0.000 0.965 157 Y CA 0.290 58.577 58.100 0.310 0.000 1.078 157 Y CB 2.713 41.380 38.460 0.345 0.000 1.193 157 Y HN 0.883 nan 8.280 nan 0.000 0.452 158 G N 2.254 111.363 108.800 0.515 0.000 2.677 158 G HA2 0.543 4.495 3.960 -0.014 0.000 0.283 158 G HA3 0.543 4.495 3.960 -0.014 0.000 0.283 158 G C -1.812 173.302 174.900 0.357 0.000 1.221 158 G CA -0.819 44.602 45.100 0.534 0.000 0.851 158 G HN 0.425 nan 8.290 nan 0.000 0.504 159 I N 0.621 121.290 120.570 0.166 0.000 2.474 159 I HA 0.437 4.599 4.170 -0.014 0.000 0.294 159 I C 0.296 176.275 176.117 -0.229 0.000 1.005 159 I CA -0.725 60.562 61.300 -0.023 0.000 1.113 159 I CB 2.244 40.073 38.000 -0.286 0.000 1.289 159 I HN 0.368 nan 8.210 nan 0.000 0.436 160 R N 6.058 126.541 120.500 -0.027 0.000 2.612 160 R HA 0.213 4.545 4.340 -0.014 0.000 0.273 160 R C -1.220 175.111 176.300 0.051 0.000 1.376 160 R CA -0.409 55.706 56.100 0.025 0.000 1.171 160 R CB -0.080 30.216 30.300 -0.006 0.000 1.151 160 R HN 0.387 nan 8.270 nan 0.000 0.560 161 Y N 1.488 121.940 120.300 0.253 0.000 2.511 161 Y HA -0.079 4.462 4.550 -0.014 0.000 0.332 161 Y C 1.572 177.642 175.900 0.283 0.000 1.177 161 Y CA 0.010 58.250 58.100 0.233 0.000 1.422 161 Y CB 0.774 39.348 38.460 0.190 0.000 1.271 161 Y HN 0.589 nan 8.280 nan 0.000 0.550 162 E N 2.071 122.445 120.200 0.289 0.000 2.106 162 E HA -0.060 4.282 4.350 -0.014 0.000 0.192 162 E C -0.728 175.729 176.600 -0.238 0.000 0.984 162 E CA 0.719 57.086 56.400 -0.055 0.000 0.806 162 E CB 0.161 29.740 29.700 -0.200 0.000 0.750 162 E HN 0.499 nan 8.360 nan 0.000 0.458 163 F N -0.149 120.007 119.950 0.343 0.000 2.477 163 F HA 0.442 4.961 4.527 -0.014 0.000 0.335 163 F C 0.820 176.713 175.800 0.154 0.000 1.130 163 F CA -0.840 57.326 58.000 0.275 0.000 0.948 163 F CB 1.795 40.886 39.000 0.152 0.000 1.154 163 F HN -0.091 nan 8.300 nan 0.000 0.439 164 G N 1.932 110.848 108.800 0.194 0.000 2.485 164 G HA2 0.298 4.250 3.960 -0.014 0.000 0.260 164 G HA3 0.298 4.250 3.960 -0.014 0.000 0.260 164 G C -0.427 174.426 174.900 -0.079 0.000 1.459 164 G CA -0.630 44.421 45.100 -0.083 0.000 1.060 164 G HN 0.554 nan 8.290 nan 0.000 0.546 165 I N 0.758 121.191 120.570 -0.228 0.000 2.775 165 I HA 0.190 4.352 4.170 -0.014 0.000 0.290 165 I C 0.568 176.581 176.117 -0.172 0.000 1.203 165 I CA -1.025 60.114 61.300 -0.270 0.000 1.433 165 I CB -0.230 37.499 38.000 -0.451 0.000 1.354 165 I HN 0.328 nan 8.210 nan 0.000 0.579 166 F N 6.047 126.003 119.950 0.010 0.000 2.595 166 F HA 0.237 4.756 4.527 -0.013 0.000 0.359 166 F C 0.573 176.421 175.800 0.079 0.000 1.147 166 F CA -0.640 57.390 58.000 0.050 0.000 1.341 166 F CB -0.413 38.608 39.000 0.034 0.000 1.104 166 F HN 0.413 nan 8.300 nan 0.000 0.603 167 N N 2.499 121.365 118.700 0.277 0.000 2.497 167 N HA 0.014 4.746 4.740 -0.014 0.000 0.268 167 N C -0.668 175.064 175.510 0.369 0.000 1.171 167 N CA -0.173 53.021 53.050 0.241 0.000 0.948 167 N CB 1.022 39.636 38.487 0.212 0.000 1.069 167 N HN 0.761 nan 8.380 nan 0.000 0.460 168 Q N 2.596 122.592 119.800 0.327 0.000 2.296 168 Q HA 0.137 4.469 4.340 -0.014 0.000 0.257 168 Q C -0.893 175.266 176.000 0.265 0.000 0.942 168 Q CA -0.342 55.679 55.803 0.364 0.000 0.939 168 Q CB 0.621 29.579 28.738 0.367 0.000 1.198 168 Q HN 0.220 nan 8.270 nan 0.000 0.429 169 K N 4.377 124.911 120.400 0.223 0.000 2.164 169 K HA 0.450 4.761 4.320 -0.014 0.000 0.258 169 K C -0.578 176.117 176.600 0.158 0.000 0.951 169 K CA -0.851 55.544 56.287 0.181 0.000 0.844 169 K CB 1.469 34.057 32.500 0.146 0.000 1.099 169 K HN 0.636 nan 8.250 nan 0.000 0.435 170 I N 2.820 123.474 120.570 0.141 0.000 2.330 170 I HA 0.200 4.362 4.170 -0.014 0.000 0.289 170 I C -0.284 175.886 176.117 0.089 0.000 1.001 170 I CA -0.627 60.729 61.300 0.092 0.000 1.193 170 I CB 0.756 38.789 38.000 0.056 0.000 1.345 170 I HN 0.423 nan 8.210 nan 0.000 0.461 171 C N 4.091 123.456 119.300 0.109 0.000 2.316 171 C HA 0.578 5.030 4.460 -0.014 0.000 0.324 171 C C 1.134 176.221 174.990 0.162 0.000 1.226 171 C CA -0.555 58.533 59.018 0.118 0.000 1.450 171 C CB 0.441 28.249 27.740 0.113 0.000 2.123 171 C HN 1.089 nan 8.230 nan 0.000 0.454 172 G N 2.484 111.350 108.800 0.110 0.000 2.249 172 G HA2 0.124 4.076 3.960 -0.014 0.000 0.273 172 G HA3 0.124 4.076 3.960 -0.014 0.000 0.273 172 G C 1.086 175.980 174.900 -0.010 0.000 1.036 172 G CA 0.924 46.090 45.100 0.111 0.000 0.824 172 G HN 2.377 nan 8.290 nan 0.000 0.504 173 G N -2.842 105.896 108.800 -0.104 0.000 2.179 173 G HA2 -0.302 3.650 3.960 -0.014 0.000 0.260 173 G HA3 -0.302 3.650 3.960 -0.014 0.000 0.260 173 G C 0.343 174.964 174.900 -0.465 0.000 0.977 173 G CA 0.674 45.582 45.100 -0.319 0.000 0.641 173 G HN 1.214 nan 8.290 nan 0.000 0.533 174 W N 0.908 122.161 121.300 -0.078 0.000 2.469 174 W HA 0.638 5.290 4.660 -0.013 0.000 0.320 174 W C 0.634 177.112 176.519 -0.069 0.000 1.086 174 W CA -0.956 56.341 57.345 -0.080 0.000 1.211 174 W CB 0.933 30.363 29.460 -0.051 0.000 1.298 174 W HN 0.262 nan 8.180 nan 0.000 0.525 175 Q N 3.639 123.541 119.800 0.171 0.000 2.311 175 Q HA 0.156 4.488 4.340 -0.014 0.000 0.272 175 Q C -0.494 175.577 176.000 0.117 0.000 1.012 175 Q CA 0.324 56.201 55.803 0.123 0.000 0.891 175 Q CB 0.522 29.326 28.738 0.111 0.000 1.201 175 Q HN 0.331 nan 8.270 nan 0.000 0.391 176 M N 3.263 122.924 119.600 0.103 0.000 2.456 176 M HA 0.374 4.845 4.480 -0.014 0.000 0.324 176 M C -1.036 175.291 176.300 0.044 0.000 1.124 176 M CA -0.690 54.641 55.300 0.052 0.000 0.959 176 M CB 1.779 34.418 32.600 0.064 0.000 1.692 176 M HN 0.603 nan 8.290 nan 0.000 0.444 177 E N 1.850 122.012 120.200 -0.062 0.000 2.191 177 E HA 0.457 4.799 4.350 -0.014 0.000 0.278 177 E C -0.674 175.934 176.600 0.014 0.000 0.972 177 E CA -0.517 55.826 56.400 -0.095 0.000 0.804 177 E CB 1.440 30.849 29.700 -0.485 0.000 1.110 177 E HN 0.523 nan 8.360 nan 0.000 0.394 178 E N 0.796 121.073 120.200 0.128 0.000 2.340 178 E HA 0.713 5.055 4.350 -0.014 0.000 0.273 178 E C -1.097 175.592 176.600 0.149 0.000 0.891 178 E CA -1.523 54.939 56.400 0.103 0.000 0.757 178 E CB 1.397 31.160 29.700 0.105 0.000 1.231 178 E HN 0.452 nan 8.360 nan 0.000 0.439 179 A N 2.070 124.936 122.820 0.077 0.000 2.565 179 A HA 0.037 4.349 4.320 -0.014 0.000 0.237 179 A C -0.123 177.623 177.584 0.270 0.000 1.053 179 A CA 0.331 52.422 52.037 0.090 0.000 0.755 179 A CB -0.057 18.866 19.000 -0.129 0.000 0.980 179 A HN 0.674 nan 8.150 nan 0.000 0.506 180 D N 1.650 122.281 120.400 0.385 0.000 2.494 180 D HA 0.213 4.845 4.640 -0.014 0.000 0.217 180 D C -0.497 176.125 176.300 0.536 0.000 1.153 180 D CA -0.180 54.052 54.000 0.386 0.000 0.954 180 D CB 0.402 41.364 40.800 0.269 0.000 1.034 180 D HN 0.390 nan 8.370 nan 0.000 0.518 181 D N 3.843 124.513 120.400 0.449 0.000 2.801 181 D HA -0.021 4.611 4.640 -0.014 0.000 0.232 181 D C 1.165 177.575 176.300 0.184 0.000 1.128 181 D CA -0.516 53.663 54.000 0.298 0.000 1.003 181 D CB -0.177 40.792 40.800 0.281 0.000 1.110 181 D HN 0.552 nan 8.370 nan 0.000 0.477 182 W N 1.583 122.901 121.300 0.030 0.000 2.611 182 W HA -0.019 4.632 4.660 -0.014 0.000 0.251 182 W C 0.083 176.642 176.519 0.067 0.000 1.265 182 W CA 0.073 57.461 57.345 0.072 0.000 1.295 182 W CB -0.681 28.826 29.460 0.078 0.000 1.129 182 W HN 0.172 nan 8.180 nan 0.000 0.630 183 L N 0.930 121.794 121.223 -0.598 0.000 2.607 183 L HA 0.182 4.513 4.340 -0.014 0.000 0.228 183 L C 2.774 179.466 176.870 -0.296 0.000 1.123 183 L CA -0.050 54.407 54.840 -0.639 0.000 0.890 183 L CB -0.572 40.980 42.059 -0.844 0.000 1.103 183 L HN -0.113 nan 8.230 nan 0.000 0.468 184 R N 0.668 121.042 120.500 -0.210 0.000 2.112 184 R HA -0.237 4.095 4.340 -0.014 0.000 0.242 184 R C 1.469 177.580 176.300 -0.315 0.000 1.137 184 R CA 2.160 58.094 56.100 -0.276 0.000 0.944 184 R CB -0.232 29.859 30.300 -0.347 0.000 0.857 184 R HN 0.301 nan 8.270 nan 0.000 0.435 185 Y N -0.456 119.858 120.300 0.023 0.000 2.466 185 Y HA 0.308 4.850 4.550 -0.014 0.000 0.272 185 Y C 0.939 176.830 175.900 -0.014 0.000 1.169 185 Y CA 0.534 58.655 58.100 0.035 0.000 1.285 185 Y CB 0.674 39.266 38.460 0.220 0.000 1.078 185 Y HN 0.462 nan 8.280 nan 0.000 0.523 186 G N 1.141 109.989 108.800 0.080 0.000 2.662 186 G HA2 -0.206 3.745 3.960 -0.014 0.000 0.686 186 G HA3 -0.206 3.745 3.960 -0.014 0.000 0.686 186 G C -1.308 173.667 174.900 0.124 0.000 1.271 186 G CA -0.833 44.283 45.100 0.026 0.000 0.816 186 G HN 0.238 nan 8.290 nan 0.000 0.608 187 N N 1.111 119.828 118.700 0.028 0.000 2.569 187 N HA 0.579 5.311 4.740 -0.014 0.000 0.254 187 N C -0.670 174.839 175.510 -0.002 0.000 1.004 187 N CA -1.976 51.106 53.050 0.054 0.000 0.904 187 N CB 2.050 40.512 38.487 -0.043 0.000 1.165 187 N HN 0.227 nan 8.380 nan 0.000 0.513 188 P HA -0.004 nan 4.420 nan 0.000 0.226 188 P C 0.686 177.671 177.300 -0.526 0.000 1.153 188 P CA 0.838 63.615 63.100 -0.538 0.000 0.777 188 P CB 0.123 31.160 31.700 -1.105 0.000 0.794 189 W N 1.873 123.173 121.300 0.001 0.000 2.523 189 W HA 0.030 4.682 4.660 -0.013 0.000 0.278 189 W C 1.365 177.918 176.519 0.057 0.000 1.236 189 W CA -0.291 57.053 57.345 -0.002 0.000 1.306 189 W CB -0.342 29.117 29.460 -0.001 0.000 1.101 189 W HN 0.002 nan 8.180 nan 0.000 0.577 190 E N 1.832 122.203 120.200 0.285 0.000 2.349 190 E HA 0.280 4.622 4.350 -0.014 0.000 0.265 190 E C -0.634 176.136 176.600 0.285 0.000 1.064 190 E CA -0.647 55.932 56.400 0.298 0.000 0.886 190 E CB 1.280 31.167 29.700 0.312 0.000 1.036 190 E HN -0.307 nan 8.360 nan 0.000 0.413 191 K N 1.603 122.190 120.400 0.311 0.000 2.535 191 K HA 0.413 4.725 4.320 -0.014 0.000 0.253 191 K C -1.203 175.434 176.600 0.063 0.000 0.953 191 K CA -0.478 55.927 56.287 0.197 0.000 0.863 191 K CB 1.573 34.194 32.500 0.202 0.000 1.111 191 K HN 0.656 nan 8.250 nan 0.000 0.431 192 A N 4.315 127.082 122.820 -0.087 0.000 2.511 192 A HA 0.304 4.616 4.320 -0.014 0.000 0.242 192 A C -0.239 177.172 177.584 -0.288 0.000 1.069 192 A CA -0.095 51.637 52.037 -0.508 0.000 0.763 192 A CB 0.192 18.881 19.000 -0.518 0.000 1.001 192 A HN 0.670 nan 8.150 nan 0.000 0.498 193 R N 3.431 123.756 120.500 -0.291 0.000 2.983 193 R HA 0.200 4.531 4.340 -0.014 0.000 0.300 193 R C -2.289 173.921 176.300 -0.150 0.000 1.367 193 R CA -1.731 54.295 56.100 -0.124 0.000 1.564 193 R CB 0.573 30.949 30.300 0.126 0.000 1.314 193 R HN 0.575 nan 8.270 nan 0.000 0.622 194 P HA -0.178 nan 4.420 nan 0.000 0.222 194 P C 0.973 178.188 177.300 -0.142 0.000 1.147 194 P CA 1.055 64.077 63.100 -0.131 0.000 0.790 194 P CB 0.368 31.996 31.700 -0.119 0.000 0.780 195 E N -0.033 119.988 120.200 -0.299 0.000 2.268 195 E HA -0.152 4.190 4.350 -0.014 0.000 0.195 195 E C 0.572 176.920 176.600 -0.420 0.000 0.995 195 E CA 0.974 57.113 56.400 -0.435 0.000 0.836 195 E CB -0.893 28.403 29.700 -0.674 0.000 0.763 195 E HN 0.272 nan 8.360 nan 0.000 0.491 196 F N 2.052 122.014 119.950 0.021 0.000 2.730 196 F HA 0.272 4.791 4.527 -0.014 0.000 0.295 196 F C 0.357 176.247 175.800 0.150 0.000 1.143 196 F CA -0.503 57.540 58.000 0.071 0.000 1.367 196 F CB 0.028 39.065 39.000 0.062 0.000 0.970 196 F HN -0.301 nan 8.300 nan 0.000 0.514 197 T N 2.653 117.340 114.554 0.222 0.000 2.916 197 T HA 0.308 4.650 4.350 -0.014 0.000 0.303 197 T C -0.191 174.609 174.700 0.167 0.000 1.025 197 T CA 0.278 62.507 62.100 0.215 0.000 1.142 197 T CB 0.741 69.685 68.868 0.126 0.000 0.947 197 T HN -0.140 nan 8.240 nan 0.000 0.544 198 L N 5.548 126.841 121.223 0.117 0.000 2.370 198 L HA 0.558 4.889 4.340 -0.014 0.000 0.266 198 L C -2.240 174.586 176.870 -0.073 0.000 1.002 198 L CA -2.505 52.331 54.840 -0.007 0.000 0.818 198 L CB 1.926 43.910 42.059 -0.125 0.000 1.325 198 L HN 0.385 nan 8.230 nan 0.000 0.418 199 P HA 0.372 nan 4.420 nan 0.000 0.288 199 P C -1.191 175.962 177.300 -0.244 0.000 1.267 199 P CA -0.388 62.621 63.100 -0.152 0.000 0.815 199 P CB 1.646 33.252 31.700 -0.157 0.000 0.989 200 V N 4.048 123.805 119.914 -0.260 0.000 2.540 200 V HA 0.325 4.437 4.120 -0.014 0.000 0.302 200 V C 0.115 175.992 176.094 -0.361 0.000 1.035 200 V CA -0.606 61.531 62.300 -0.272 0.000 0.873 200 V CB 1.459 33.184 31.823 -0.163 0.000 0.992 200 V HN 0.601 nan 8.190 nan 0.000 0.428 201 H N 3.946 122.888 119.070 -0.213 0.000 2.463 201 H HA 0.620 5.168 4.556 -0.014 0.000 0.332 201 H C -1.269 173.807 175.328 -0.420 0.000 1.127 201 H CA -0.157 55.692 56.048 -0.331 0.000 1.238 201 H CB 1.898 31.241 29.762 -0.699 0.000 1.478 201 H HN 0.475 nan 8.280 nan 0.000 0.499 202 F N 0.311 120.331 119.950 0.117 0.000 2.613 202 F HA 0.218 4.737 4.527 -0.014 0.000 0.314 202 F C -0.255 175.670 175.800 0.208 0.000 1.075 202 F CA -0.525 57.552 58.000 0.129 0.000 0.945 202 F CB 1.128 40.130 39.000 0.003 0.000 1.310 202 F HN 0.557 nan 8.300 nan 0.000 0.467 203 Y N 0.165 120.769 120.300 0.506 0.000 2.904 203 Y HA -0.010 4.532 4.550 -0.014 0.000 0.466 203 Y C 1.346 177.492 175.900 0.410 0.000 1.202 203 Y CA 0.645 58.959 58.100 0.358 0.000 2.492 203 Y CB -1.903 36.694 38.460 0.230 0.000 1.237 203 Y HN 1.278 nan 8.280 nan 0.000 0.633 204 G N 0.687 109.753 108.800 0.444 0.000 2.598 204 G HA2 0.083 4.034 3.960 -0.014 0.000 0.244 204 G HA3 0.083 4.034 3.960 -0.014 0.000 0.244 204 G C -0.570 174.547 174.900 0.360 0.000 1.302 204 G CA 0.942 46.218 45.100 0.294 0.000 0.903 204 G HN 1.367 nan 8.290 nan 0.000 0.575 205 R N -2.528 118.183 120.500 0.352 0.000 2.734 205 R HA 0.700 5.032 4.340 -0.014 0.000 0.271 205 R C -1.324 175.139 176.300 0.271 0.000 1.021 205 R CA -1.005 55.255 56.100 0.267 0.000 0.893 205 R CB 1.329 31.725 30.300 0.159 0.000 1.244 205 R HN 0.855 nan 8.270 nan 0.000 0.464 206 V N 0.812 120.801 119.914 0.125 0.000 2.427 206 V HA 0.360 4.472 4.120 -0.014 0.000 0.286 206 V C -0.190 175.881 176.094 -0.039 0.000 1.034 206 V CA -0.460 61.845 62.300 0.008 0.000 0.893 206 V CB 1.305 33.067 31.823 -0.102 0.000 0.982 206 V HN 0.728 nan 8.190 nan 0.000 0.452 207 E N 2.825 122.965 120.200 -0.100 0.000 2.176 207 E HA 0.409 4.750 4.350 -0.014 0.000 0.267 207 E C -1.078 175.404 176.600 -0.197 0.000 0.893 207 E CA -0.696 55.662 56.400 -0.070 0.000 0.761 207 E CB 0.987 30.684 29.700 -0.006 0.000 1.133 207 E HN 0.729 nan 8.360 nan 0.000 0.409 208 H N 2.348 121.433 119.070 0.024 0.000 2.517 208 H HA 0.259 4.807 4.556 -0.014 0.000 0.317 208 H C 0.112 175.448 175.328 0.014 0.000 1.080 208 H CA -0.229 55.828 56.048 0.015 0.000 1.301 208 H CB 1.512 31.278 29.762 0.008 0.000 1.425 208 H HN 0.579 nan 8.280 nan 0.000 0.471 209 T N -1.109 113.505 114.554 0.101 0.000 2.883 209 T HA 0.191 4.533 4.350 -0.014 0.000 0.284 209 T C 1.360 176.096 174.700 0.060 0.000 1.041 209 T CA -0.606 61.532 62.100 0.064 0.000 1.007 209 T CB 1.053 69.941 68.868 0.035 0.000 1.220 209 T HN 0.395 nan 8.240 nan 0.000 0.552 210 S N 0.010 115.734 115.700 0.041 0.000 2.374 210 S HA -0.137 4.324 4.470 -0.014 0.000 0.227 210 S C 1.220 175.841 174.600 0.034 0.000 1.037 210 S CA 1.180 59.400 58.200 0.033 0.000 1.024 210 S CB -0.548 62.666 63.200 0.024 0.000 0.861 210 S HN 0.722 nan 8.310 nan 0.000 0.456 211 Q N 1.208 121.027 119.800 0.032 0.000 3.035 211 Q HA 0.512 4.843 4.340 -0.014 0.000 0.354 211 Q C 0.502 176.520 176.000 0.031 0.000 1.247 211 Q CA 0.241 56.061 55.803 0.028 0.000 1.068 211 Q CB -0.167 28.583 28.738 0.021 0.000 1.424 211 Q HN 0.527 nan 8.270 nan 0.000 0.486 212 G N 0.447 109.276 108.800 0.048 0.000 2.750 212 G HA2 -0.088 3.864 3.960 -0.014 0.000 0.228 212 G HA3 -0.088 3.864 3.960 -0.014 0.000 0.228 212 G C -0.400 174.521 174.900 0.034 0.000 1.367 212 G CA -0.605 44.530 45.100 0.058 0.000 0.871 212 G HN 0.773 nan 8.290 nan 0.000 0.560 213 A N -0.092 122.723 122.820 -0.008 0.000 2.322 213 A HA 0.717 5.029 4.320 -0.014 0.000 0.269 213 A C 0.465 177.982 177.584 -0.111 0.000 1.094 213 A CA 0.413 52.344 52.037 -0.176 0.000 0.807 213 A CB 0.684 19.528 19.000 -0.261 0.000 1.047 213 A HN 0.765 nan 8.150 nan 0.000 0.487 214 K N 0.675 121.001 120.400 -0.124 0.000 2.482 214 K HA 0.173 4.485 4.320 -0.014 0.000 0.251 214 K C -1.960 174.670 176.600 0.049 0.000 0.936 214 K CA -0.343 55.928 56.287 -0.027 0.000 0.791 214 K CB 2.067 34.555 32.500 -0.020 0.000 1.213 214 K HN 0.747 nan 8.250 nan 0.000 0.428 215 W N 5.515 126.731 121.300 -0.139 0.000 2.342 215 W HA 0.342 4.994 4.660 -0.014 0.000 0.310 215 W C -0.577 175.880 176.519 -0.104 0.000 1.128 215 W CA -0.724 56.547 57.345 -0.124 0.000 1.322 215 W CB 0.122 29.497 29.460 -0.142 0.000 1.251 215 W HN 0.293 nan 8.180 nan 0.000 0.439 216 V N 2.670 122.625 119.914 0.068 0.000 3.126 216 V HA 0.591 4.703 4.120 -0.014 0.000 0.314 216 V C -0.088 175.971 176.094 -0.058 0.000 1.138 216 V CA -1.006 61.260 62.300 -0.056 0.000 1.034 216 V CB 1.930 33.754 31.823 0.001 0.000 1.075 216 V HN 0.454 nan 8.190 nan 0.000 0.442 217 D N 0.388 120.759 120.400 -0.049 0.000 2.751 217 D HA -0.143 4.489 4.640 -0.014 0.000 0.233 217 D C 0.569 176.863 176.300 -0.009 0.000 1.149 217 D CA 1.526 55.520 54.000 -0.009 0.000 0.682 217 D CB -1.501 39.318 40.800 0.032 0.000 1.068 217 D HN 1.284 nan 8.370 nan 0.000 0.429 218 T N -2.762 111.734 114.554 -0.098 0.000 2.899 218 T HA 0.458 4.799 4.350 -0.014 0.000 0.284 218 T C 0.464 175.215 174.700 0.085 0.000 1.004 218 T CA -0.722 61.331 62.100 -0.078 0.000 1.043 218 T CB 1.982 70.621 68.868 -0.381 0.000 1.013 218 T HN 0.033 nan 8.240 nan 0.000 0.518 219 Q N 0.849 120.773 119.800 0.208 0.000 2.261 219 Q HA 0.525 4.856 4.340 -0.014 0.000 0.252 219 Q C -0.831 175.308 176.000 0.231 0.000 0.915 219 Q CA -0.794 55.160 55.803 0.251 0.000 0.915 219 Q CB 1.657 30.615 28.738 0.367 0.000 1.204 219 Q HN 0.523 nan 8.270 nan 0.000 0.421 220 V N 3.460 123.468 119.914 0.156 0.000 2.394 220 V HA 0.327 4.439 4.120 -0.014 0.000 0.282 220 V C -0.255 175.923 176.094 0.140 0.000 1.031 220 V CA -0.577 61.736 62.300 0.021 0.000 0.881 220 V CB 1.587 33.368 31.823 -0.070 0.000 0.982 220 V HN 0.492 nan 8.190 nan 0.000 0.451 221 V N 6.230 126.242 119.914 0.164 0.000 2.513 221 V HA 0.471 4.583 4.120 -0.014 0.000 0.299 221 V C -0.049 176.134 176.094 0.148 0.000 1.035 221 V CA -0.664 61.741 62.300 0.176 0.000 0.889 221 V CB 1.901 33.895 31.823 0.285 0.000 0.988 221 V HN 0.626 nan 8.190 nan 0.000 0.440 222 L N 3.673 124.973 121.223 0.127 0.000 2.350 222 L HA 0.688 5.019 4.340 -0.014 0.000 0.275 222 L C 0.467 177.508 176.870 0.286 0.000 1.099 222 L CA -0.286 54.638 54.840 0.139 0.000 0.808 222 L CB 1.227 43.347 42.059 0.100 0.000 1.149 222 L HN 0.748 nan 8.230 nan 0.000 0.442 223 A N 5.301 128.244 122.820 0.205 0.000 2.267 223 A HA 0.575 4.886 4.320 -0.014 0.000 0.315 223 A C -0.448 177.396 177.584 0.433 0.000 1.297 223 A CA -0.474 51.718 52.037 0.258 0.000 0.865 223 A CB 0.877 19.593 19.000 -0.472 0.000 1.165 223 A HN 0.794 nan 8.150 nan 0.000 0.513 224 M N 5.875 125.793 119.600 0.530 0.000 2.129 224 M HA 0.458 4.930 4.480 -0.014 0.000 0.348 224 M C -2.612 173.956 176.300 0.446 0.000 1.116 224 M CA -2.160 53.393 55.300 0.422 0.000 1.022 224 M CB 1.929 34.693 32.600 0.273 0.000 1.599 224 M HN 0.323 nan 8.290 nan 0.000 0.449 225 P HA 0.244 nan 4.420 nan 0.000 0.284 225 P C -1.909 175.337 177.300 -0.090 0.000 1.253 225 P CA 0.047 63.072 63.100 -0.125 0.000 0.800 225 P CB 0.429 31.889 31.700 -0.400 0.000 0.961 226 Y N 0.563 120.804 120.300 -0.099 0.000 2.331 226 Y HA 0.312 4.854 4.550 -0.014 0.000 0.334 226 Y C 0.172 176.055 175.900 -0.028 0.000 0.960 226 Y CA -0.351 57.744 58.100 -0.009 0.000 1.130 226 Y CB 1.267 39.751 38.460 0.040 0.000 1.164 226 Y HN 0.216 nan 8.280 nan 0.000 0.458 227 D N 2.043 122.547 120.400 0.174 0.000 2.198 227 D HA 0.374 5.005 4.640 -0.014 0.000 0.245 227 D C -0.531 175.991 176.300 0.371 0.000 1.079 227 D CA -0.162 53.982 54.000 0.241 0.000 0.854 227 D CB 1.661 42.631 40.800 0.283 0.000 1.148 227 D HN 0.369 nan 8.370 nan 0.000 0.456 228 T N 3.271 117.943 114.554 0.197 0.000 2.807 228 T HA 0.466 4.808 4.350 -0.014 0.000 0.279 228 T C -2.508 172.013 174.700 -0.298 0.000 0.993 228 T CA -1.500 60.611 62.100 0.019 0.000 0.970 228 T CB 1.997 70.870 68.868 0.008 0.000 0.950 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.317 nan 4.420 nan 0.000 0.275 229 P C -1.025 175.931 177.300 -0.572 0.000 1.227 229 P CA -0.400 62.005 63.100 -1.159 0.000 0.781 229 P CB 0.789 31.624 31.700 -1.441 0.000 0.906 230 V N 5.134 124.772 119.914 -0.459 0.000 2.305 230 V HA 0.274 4.386 4.120 -0.014 0.000 0.275 230 V C -2.120 173.833 176.094 -0.234 0.000 1.020 230 V CA -1.937 60.191 62.300 -0.286 0.000 0.811 230 V CB 1.373 33.076 31.823 -0.200 0.000 1.031 230 V HN 0.535 nan 8.190 nan 0.000 0.439 231 P HA 0.291 nan 4.420 nan 0.000 0.285 231 P C 0.375 177.620 177.300 -0.091 0.000 1.259 231 P CA 0.253 63.260 63.100 -0.154 0.000 0.794 231 P CB 1.576 33.184 31.700 -0.154 0.000 0.940 232 G N 2.118 110.883 108.800 -0.059 0.000 2.599 232 G HA2 0.122 4.074 3.960 -0.014 0.000 0.264 232 G HA3 0.122 4.074 3.960 -0.014 0.000 0.264 232 G C -1.143 173.766 174.900 0.015 0.000 1.200 232 G CA -0.550 44.545 45.100 -0.009 0.000 0.896 232 G HN 0.514 nan 8.290 nan 0.000 0.536 233 Y N 0.598 120.859 120.300 -0.065 0.000 2.624 233 Y HA 0.266 4.808 4.550 -0.014 0.000 0.354 233 Y C 1.227 177.089 175.900 -0.063 0.000 1.051 233 Y CA -0.207 57.850 58.100 -0.071 0.000 1.377 233 Y CB 0.059 38.475 38.460 -0.073 0.000 1.168 233 Y HN 0.722 nan 8.280 nan 0.000 0.525 234 R N 2.736 122.944 120.500 -0.487 0.000 3.627 234 R HA -0.317 4.015 4.340 -0.014 0.000 0.281 234 R C 0.062 176.227 176.300 -0.225 0.000 1.140 234 R CA 1.462 57.295 56.100 -0.445 0.000 0.761 234 R CB -1.924 27.944 30.300 -0.721 0.000 1.181 234 R HN 0.945 nan 8.270 nan 0.000 0.472 235 N N -1.170 117.448 118.700 -0.136 0.000 2.177 235 N HA 0.054 4.785 4.740 -0.014 0.000 0.218 235 N C -0.231 175.232 175.510 -0.078 0.000 1.182 235 N CA -0.320 52.681 53.050 -0.082 0.000 0.882 235 N CB 0.487 38.951 38.487 -0.038 0.000 1.052 235 N HN 0.088 nan 8.380 nan 0.000 0.519 236 N N -0.124 118.525 118.700 -0.086 0.000 2.713 236 N HA -0.140 4.592 4.740 -0.014 0.000 0.251 236 N C -0.853 174.615 175.510 -0.071 0.000 1.117 236 N CA 0.596 53.602 53.050 -0.073 0.000 0.770 236 N CB -1.376 37.069 38.487 -0.070 0.000 1.137 236 N HN 0.198 nan 8.380 nan 0.000 0.566 237 V N 1.193 121.069 119.914 -0.063 0.000 2.498 237 V HA 0.367 4.479 4.120 -0.014 0.000 0.279 237 V C 0.628 176.692 176.094 -0.051 0.000 1.048 237 V CA -0.400 61.870 62.300 -0.049 0.000 0.967 237 V CB 1.998 33.818 31.823 -0.005 0.000 0.988 237 V HN -0.018 nan 8.190 nan 0.000 0.473 238 V N 5.571 125.460 119.914 -0.042 0.000 2.419 238 V HA 0.438 4.550 4.120 -0.014 0.000 0.287 238 V C -0.114 175.972 176.094 -0.014 0.000 1.017 238 V CA -0.864 61.388 62.300 -0.080 0.000 0.844 238 V CB 1.515 33.274 31.823 -0.106 0.000 1.011 238 V HN 0.839 nan 8.190 nan 0.000 0.429 239 N N 1.921 120.582 118.700 -0.066 0.000 2.448 239 N HA 0.568 5.300 4.740 -0.014 0.000 0.274 239 N C -0.076 175.407 175.510 -0.044 0.000 1.239 239 N CA -0.316 52.716 53.050 -0.030 0.000 0.982 239 N CB 1.321 39.754 38.487 -0.090 0.000 1.199 239 N HN 0.567 nan 8.380 nan 0.000 0.576 240 T N 0.830 115.374 114.554 -0.017 0.000 2.807 240 T HA 0.388 4.730 4.350 -0.014 0.000 0.279 240 T C -0.192 174.472 174.700 -0.060 0.000 0.993 240 T CA -0.490 61.672 62.100 0.104 0.000 0.970 240 T CB 0.910 69.953 68.868 0.292 0.000 0.950 240 T HN 0.297 nan 8.240 nan 0.000 0.441 241 M N 4.001 123.530 119.600 -0.120 0.000 2.066 241 M HA 0.480 4.952 4.480 -0.014 0.000 0.340 241 M C -0.369 175.775 176.300 -0.259 0.000 1.053 241 M CA -0.736 54.406 55.300 -0.263 0.000 0.983 241 M CB 0.564 32.950 32.600 -0.358 0.000 1.520 241 M HN 0.468 nan 8.290 nan 0.000 0.428 242 R N 5.885 126.110 120.500 -0.458 0.000 2.229 242 R HA 0.612 4.944 4.340 -0.014 0.000 0.332 242 R C -1.925 174.053 176.300 -0.536 0.000 0.989 242 R CA -0.409 55.358 56.100 -0.554 0.000 0.842 242 R CB 0.819 30.586 30.300 -0.890 0.000 1.119 242 R HN 0.816 nan 8.270 nan 0.000 0.456 243 L N 5.268 126.295 121.223 -0.327 0.000 2.333 243 L HA 0.481 4.812 4.340 -0.014 0.000 0.280 243 L C -0.842 175.983 176.870 -0.074 0.000 1.004 243 L CA -0.896 53.855 54.840 -0.150 0.000 0.820 243 L CB 1.498 43.554 42.059 -0.006 0.000 1.247 243 L HN 0.603 nan 8.230 nan 0.000 0.416 244 W N 1.986 123.395 121.300 0.182 0.000 2.315 244 W HA 0.455 5.107 4.660 -0.014 0.000 0.316 244 W C 0.591 177.330 176.519 0.367 0.000 1.211 244 W CA -0.156 57.319 57.345 0.218 0.000 1.201 244 W CB 1.467 30.904 29.460 -0.038 0.000 1.184 244 W HN 0.346 nan 8.180 nan 0.000 0.544 245 S N 1.865 117.975 115.700 0.683 0.000 2.482 245 S HA 0.763 5.225 4.470 -0.014 0.000 0.303 245 S C -0.461 174.482 174.600 0.572 0.000 1.091 245 S CA -0.730 57.785 58.200 0.524 0.000 1.057 245 S CB 0.662 64.130 63.200 0.446 0.000 1.031 245 S HN 0.514 nan 8.310 nan 0.000 0.485 246 A N 4.935 127.932 122.820 0.296 0.000 2.320 246 A HA 0.646 4.957 4.320 -0.014 0.000 0.287 246 A C -0.221 177.417 177.584 0.089 0.000 1.181 246 A CA -0.308 51.783 52.037 0.091 0.000 0.831 246 A CB 0.301 19.085 19.000 -0.360 0.000 1.102 246 A HN 0.644 nan 8.150 nan 0.000 0.513 247 K N 1.329 121.794 120.400 0.108 0.000 2.378 247 K HA 0.605 4.917 4.320 -0.014 0.000 0.252 247 K C -0.386 176.195 176.600 -0.032 0.000 0.931 247 K CA -0.421 55.892 56.287 0.044 0.000 0.794 247 K CB 2.232 34.788 32.500 0.094 0.000 1.181 247 K HN 0.805 nan 8.250 nan 0.000 0.425 248 A N 4.350 127.088 122.820 -0.136 0.000 2.388 248 A HA 0.428 4.740 4.320 -0.014 0.000 0.257 248 A C -2.035 175.508 177.584 -0.068 0.000 1.095 248 A CA -0.987 50.897 52.037 -0.256 0.000 0.791 248 A CB -0.351 18.313 19.000 -0.561 0.000 1.029 248 A HN 0.357 nan 8.150 nan 0.000 0.489 249 P HA 0.098 nan 4.420 nan 0.000 0.272 249 P C -0.004 177.371 177.300 0.126 0.000 1.230 249 P CA -0.379 62.774 63.100 0.088 0.000 0.788 249 P CB 0.570 32.344 31.700 0.125 0.000 0.949 250 N N 0.748 119.509 118.700 0.102 0.000 2.512 250 N HA -0.096 4.636 4.740 -0.014 0.000 0.183 250 N C 0.592 176.178 175.510 0.126 0.000 1.073 250 N CA 0.904 54.017 53.050 0.104 0.000 0.911 250 N CB -0.384 38.148 38.487 0.075 0.000 0.964 250 N HN 0.538 nan 8.380 nan 0.000 0.447 251 D N -1.025 119.454 120.400 0.131 0.000 2.368 251 D HA -0.036 4.596 4.640 -0.014 0.000 0.218 251 D C 0.050 176.428 176.300 0.131 0.000 1.112 251 D CA -0.644 53.424 54.000 0.113 0.000 0.834 251 D CB -0.978 39.868 40.800 0.076 0.000 0.953 251 D HN 0.013 nan 8.370 nan 0.000 0.505 252 F N 2.349 122.317 119.950 0.031 0.000 2.590 252 F HA 0.055 4.573 4.527 -0.014 0.000 0.389 252 F C 1.041 176.853 175.800 0.019 0.000 1.049 252 F CA 0.574 58.589 58.000 0.025 0.000 1.199 252 F CB -0.212 38.801 39.000 0.022 0.000 1.058 252 F HN 0.087 nan 8.300 nan 0.000 0.556 253 N N 2.064 120.390 118.700 -0.623 0.000 2.857 253 N HA -0.293 4.439 4.740 -0.014 0.000 0.242 253 N C -0.458 174.958 175.510 -0.158 0.000 0.983 253 N CA 0.685 53.469 53.050 -0.442 0.000 0.934 253 N CB -0.994 37.227 38.487 -0.444 0.000 1.115 253 N HN 0.419 nan 8.380 nan 0.000 0.593 262 Y N 1.697 122.000 120.300 0.005 0.000 2.097 262 Y HA -0.063 4.479 4.550 -0.014 0.000 0.282 262 Y C 2.721 178.632 175.900 0.019 0.000 1.152 262 Y CA 2.324 60.431 58.100 0.011 0.000 1.136 262 Y CB -0.190 38.276 38.460 0.010 0.000 0.975 262 Y HN 0.207 nan 8.280 nan 0.000 0.498 263 I N 0.487 120.947 120.570 -0.183 0.000 2.127 263 I HA -0.323 3.839 4.170 -0.014 0.000 0.241 263 I C 2.407 178.411 176.117 -0.187 0.000 1.075 263 I CA 1.580 62.725 61.300 -0.259 0.000 1.334 263 I CB -1.410 36.551 38.000 -0.065 0.000 1.040 263 I HN 0.370 nan 8.210 nan 0.000 0.405 264 Q N 0.502 120.248 119.800 -0.089 0.000 2.096 264 Q HA -0.156 4.175 4.340 -0.014 0.000 0.204 264 Q C 2.386 178.357 176.000 -0.047 0.000 0.982 264 Q CA 1.926 57.699 55.803 -0.051 0.000 0.850 264 Q CB -0.415 28.310 28.738 -0.023 0.000 0.901 264 Q HN 0.563 nan 8.270 nan 0.000 0.422 265 A N 0.058 122.839 122.820 -0.066 0.000 1.908 265 A HA -0.150 4.162 4.320 -0.014 0.000 0.218 265 A C 2.410 179.995 177.584 0.002 0.000 1.181 265 A CA 1.729 53.745 52.037 -0.035 0.000 0.627 265 A CB -0.656 18.325 19.000 -0.032 0.000 0.818 265 A HN 0.233 nan 8.150 nan 0.000 0.445 266 V N 0.046 119.883 119.914 -0.128 0.000 2.358 266 V HA -0.216 3.896 4.120 -0.014 0.000 0.246 266 V C 2.487 178.562 176.094 -0.033 0.000 1.047 266 V CA 1.807 64.043 62.300 -0.107 0.000 1.035 266 V CB -0.707 30.951 31.823 -0.276 0.000 0.658 266 V HN 0.567 nan 8.190 nan 0.000 0.452 267 L N -0.277 120.920 121.223 -0.043 0.000 2.217 267 L HA -0.102 4.230 4.340 -0.014 0.000 0.211 267 L C 1.889 178.780 176.870 0.034 0.000 1.107 267 L CA 1.068 55.902 54.840 -0.011 0.000 0.783 267 L CB -0.595 41.452 42.059 -0.020 0.000 0.919 267 L HN 0.320 nan 8.230 nan 0.000 0.442 268 D N 0.007 120.458 120.400 0.084 0.000 2.363 268 D HA -0.052 4.579 4.640 -0.014 0.000 0.226 268 D C 2.083 178.543 176.300 0.267 0.000 1.020 268 D CA 0.379 54.479 54.000 0.167 0.000 0.892 268 D CB 0.037 40.942 40.800 0.175 0.000 0.900 268 D HN 0.222 nan 8.370 nan 0.000 0.531 269 R N 0.335 120.921 120.500 0.144 0.000 2.152 269 R HA -0.063 4.269 4.340 -0.014 0.000 0.232 269 R C 1.685 177.878 176.300 -0.179 0.000 1.117 269 R CA 0.859 56.873 56.100 -0.143 0.000 0.981 269 R CB -0.260 29.982 30.300 -0.096 0.000 0.870 269 R HN 0.338 nan 8.270 nan 0.000 0.451 270 N N 0.366 119.036 118.700 -0.051 0.000 2.137 270 N HA -0.205 4.526 4.740 -0.014 0.000 0.190 270 N C 1.251 176.735 175.510 -0.044 0.000 1.017 270 N CA 0.882 53.911 53.050 -0.036 0.000 0.859 270 N CB -0.125 38.363 38.487 0.002 0.000 1.002 270 N HN 0.018 nan 8.380 nan 0.000 0.428 271 L N 1.040 122.252 121.223 -0.018 0.000 2.012 271 L HA -0.134 4.197 4.340 -0.014 0.000 0.210 271 L C 2.473 179.306 176.870 -0.063 0.000 1.073 271 L CA 1.484 56.327 54.840 0.005 0.000 0.748 271 L CB -1.158 40.962 42.059 0.102 0.000 0.891 271 L HN 0.171 nan 8.230 nan 0.000 0.431 272 A N -0.897 121.815 122.820 -0.181 0.000 1.930 272 A HA -0.167 4.145 4.320 -0.014 0.000 0.217 272 A C 2.146 179.610 177.584 -0.200 0.000 1.175 272 A CA 1.386 53.282 52.037 -0.234 0.000 0.627 272 A CB -0.440 18.284 19.000 -0.460 0.000 0.815 272 A HN 0.522 nan 8.150 nan 0.000 0.443 273 E N 0.023 120.120 120.200 -0.171 0.000 2.427 273 E HA -0.066 4.275 4.350 -0.014 0.000 0.196 273 E C 1.026 177.587 176.600 -0.065 0.000 1.028 273 E CA 0.157 56.490 56.400 -0.112 0.000 0.864 273 E CB -0.121 29.534 29.700 -0.075 0.000 0.813 273 E HN 0.459 nan 8.360 nan 0.000 0.514 274 N N 1.061 119.729 118.700 -0.054 0.000 2.364 274 N HA -0.114 4.618 4.740 -0.014 0.000 0.183 274 N C 1.605 177.113 175.510 -0.004 0.000 1.022 274 N CA 0.688 53.736 53.050 -0.004 0.000 0.883 274 N CB -0.060 38.429 38.487 0.003 0.000 0.965 274 N HN 0.263 nan 8.380 nan 0.000 0.438 275 I N 0.386 120.893 120.570 -0.105 0.000 2.194 275 I HA -0.257 3.905 4.170 -0.014 0.000 0.246 275 I C 1.467 177.562 176.117 -0.036 0.000 1.093 275 I CA 1.320 62.528 61.300 -0.153 0.000 1.355 275 I CB -0.219 37.507 38.000 -0.457 0.000 1.046 275 I HN 0.136 nan 8.210 nan 0.000 0.413 276 S N -0.499 115.177 115.700 -0.040 0.000 2.583 276 S HA 0.191 4.652 4.470 -0.014 0.000 0.239 276 S C 1.458 176.200 174.600 0.236 0.000 0.966 276 S CA -0.516 57.755 58.200 0.119 0.000 0.973 276 S CB 0.249 63.508 63.200 0.098 0.000 0.794 276 S HN 0.215 nan 8.310 nan 0.000 0.463 277 R N 1.087 121.725 120.500 0.231 0.000 2.075 277 R HA 0.326 4.658 4.340 -0.014 0.000 0.226 277 R C 0.292 176.832 176.300 0.401 0.000 1.114 277 R CA 0.933 57.203 56.100 0.284 0.000 0.972 277 R CB -0.147 30.285 30.300 0.221 0.000 0.869 277 R HN 0.381 nan 8.270 nan 0.000 0.437 278 V N 0.619 120.722 119.914 0.314 0.000 2.808 278 V HA 0.359 4.471 4.120 -0.014 0.000 0.308 278 V C -1.590 174.434 176.094 -0.116 0.000 1.099 278 V CA -1.369 61.025 62.300 0.157 0.000 0.920 278 V CB 1.799 33.642 31.823 0.033 0.000 1.014 278 V HN 0.155 nan 8.190 nan 0.000 0.425 279 L N 7.128 128.061 121.223 -0.483 0.000 2.360 279 L HA 0.468 4.800 4.340 -0.014 0.000 0.276 279 L C -0.872 175.810 176.870 -0.314 0.000 1.121 279 L CA 0.471 54.816 54.840 -0.825 0.000 0.845 279 L CB 0.424 41.943 42.059 -0.900 0.000 1.143 279 L HN 0.658 nan 8.230 nan 0.000 0.452 280 Y N 6.713 126.893 120.300 -0.199 0.000 2.465 280 Y HA 0.260 4.801 4.550 -0.014 0.000 0.331 280 Y C -1.673 174.199 175.900 -0.047 0.000 1.102 280 Y CA -1.326 56.736 58.100 -0.063 0.000 1.358 280 Y CB -0.166 38.282 38.460 -0.019 0.000 1.213 280 Y HN 0.629 nan 8.280 nan 0.000 0.525 281 P HA 0.207 nan 4.420 nan 0.000 0.274 281 P C -0.739 176.662 177.300 0.168 0.000 1.260 281 P CA -0.271 62.928 63.100 0.165 0.000 0.793 281 P CB 0.565 32.427 31.700 0.271 0.000 1.048 289 K N 0.845 121.391 120.400 0.243 0.000 2.138 289 K HA 0.344 4.656 4.320 -0.014 0.000 0.263 289 K C 0.966 177.710 176.600 0.240 0.000 0.965 289 K CA -0.817 55.607 56.287 0.230 0.000 0.868 289 K CB 2.718 35.333 32.500 0.191 0.000 1.083 289 K HN 0.556 nan 8.250 nan 0.000 0.443 290 E N 1.589 121.885 120.200 0.159 0.000 2.085 290 E HA -0.213 4.129 4.350 -0.014 0.000 0.194 290 E C 1.487 178.094 176.600 0.013 0.000 0.994 290 E CA 1.090 57.524 56.400 0.057 0.000 0.801 290 E CB 0.188 29.933 29.700 0.075 0.000 0.743 290 E HN 0.392 nan 8.360 nan 0.000 0.453 291 L N 1.158 122.435 121.223 0.090 0.000 2.083 291 L HA -0.150 4.181 4.340 -0.014 0.000 0.209 291 L C 2.434 179.365 176.870 0.102 0.000 1.083 291 L CA 1.661 56.570 54.840 0.114 0.000 0.752 291 L CB -0.441 41.760 42.059 0.236 0.000 0.899 291 L HN -0.005 nan 8.230 nan 0.000 0.433 292 R N -0.612 119.878 120.500 -0.017 0.000 2.075 292 R HA -0.151 4.181 4.340 -0.014 0.000 0.232 292 R C 2.099 178.392 176.300 -0.012 0.000 1.126 292 R CA 1.820 57.820 56.100 -0.167 0.000 0.963 292 R CB -1.006 29.017 30.300 -0.462 0.000 0.858 292 R HN 0.396 nan 8.270 nan 0.000 0.435 293 L N 0.930 122.049 121.223 -0.173 0.000 2.046 293 L HA -0.076 4.255 4.340 -0.014 0.000 0.208 293 L C 1.704 178.496 176.870 -0.129 0.000 1.077 293 L CA 1.916 56.460 54.840 -0.493 0.000 0.747 293 L CB -0.452 41.015 42.059 -0.987 0.000 0.896 293 L HN 0.156 nan 8.230 nan 0.000 0.432 294 K N -0.987 119.391 120.400 -0.037 0.000 2.063 294 K HA -0.207 4.104 4.320 -0.014 0.000 0.208 294 K C 2.109 178.874 176.600 0.276 0.000 1.048 294 K CA 1.832 58.186 56.287 0.112 0.000 0.928 294 K CB -0.196 32.180 32.500 -0.207 0.000 0.713 294 K HN 0.505 nan 8.250 nan 0.000 0.442 295 Q N 0.613 120.531 119.800 0.196 0.000 2.050 295 Q HA -0.195 4.137 4.340 -0.014 0.000 0.202 295 Q C 1.987 178.181 176.000 0.322 0.000 0.980 295 Q CA 1.490 57.470 55.803 0.296 0.000 0.840 295 Q CB -0.021 28.904 28.738 0.311 0.000 0.898 295 Q HN 0.379 nan 8.270 nan 0.000 0.424 296 E N -0.279 120.056 120.200 0.225 0.000 2.077 296 E HA -0.217 4.124 4.350 -0.014 0.000 0.193 296 E C 1.733 178.440 176.600 0.178 0.000 0.989 296 E CA 1.083 57.600 56.400 0.195 0.000 0.800 296 E CB -0.130 29.661 29.700 0.151 0.000 0.746 296 E HN 0.334 nan 8.360 nan 0.000 0.452 297 Y N 0.294 120.630 120.300 0.061 0.000 2.263 297 Y HA -0.186 4.356 4.550 -0.014 0.000 0.292 297 Y C 1.957 177.882 175.900 0.042 0.000 1.130 297 Y CA 0.961 59.050 58.100 -0.017 0.000 1.179 297 Y CB -0.352 38.046 38.460 -0.102 0.000 0.998 297 Y HN 0.010 nan 8.280 nan 0.000 0.532 298 F N -0.227 119.702 119.950 -0.035 0.000 2.065 298 F HA -0.252 4.267 4.527 -0.014 0.000 0.298 298 F C 2.486 178.137 175.800 -0.248 0.000 1.112 298 F CA 2.043 59.979 58.000 -0.107 0.000 1.212 298 F CB -1.071 38.024 39.000 0.160 0.000 0.975 298 F HN -0.049 nan 8.300 nan 0.000 0.476 299 V N -0.464 119.396 119.914 -0.090 0.000 2.427 299 V HA -0.196 3.916 4.120 -0.014 0.000 0.248 299 V C 2.171 178.127 176.094 -0.231 0.000 1.051 299 V CA 1.978 64.206 62.300 -0.120 0.000 1.048 299 V CB -0.419 31.533 31.823 0.214 0.000 0.666 299 V HN 0.259 nan 8.190 nan 0.000 0.456 300 V N 0.468 120.247 119.914 -0.224 0.000 2.307 300 V HA -0.159 3.952 4.120 -0.014 0.000 0.245 300 V C 2.832 178.678 176.094 -0.413 0.000 1.045 300 V CA 2.151 64.307 62.300 -0.240 0.000 1.024 300 V CB -1.053 30.687 31.823 -0.137 0.000 0.651 300 V HN 0.651 nan 8.190 nan 0.000 0.449 301 A N -0.221 122.179 122.820 -0.700 0.000 1.873 301 A HA -0.077 4.235 4.320 -0.014 0.000 0.215 301 A C 2.392 179.615 177.584 -0.602 0.000 1.186 301 A CA 2.045 53.662 52.037 -0.699 0.000 0.616 301 A CB -0.785 17.568 19.000 -1.079 0.000 0.823 301 A HN 0.556 nan 8.150 nan 0.000 0.442 302 A N -1.019 121.284 122.820 -0.862 0.000 1.873 302 A HA -0.057 4.255 4.320 -0.014 0.000 0.215 302 A C 2.309 179.433 177.584 -0.767 0.000 1.186 302 A CA 2.250 53.601 52.037 -1.142 0.000 0.616 302 A CB -1.312 16.335 19.000 -2.254 0.000 0.823 302 A HN 0.418 nan 8.150 nan 0.000 0.442 303 T N 0.515 114.759 114.554 -0.516 0.000 2.684 303 T HA -0.128 4.213 4.350 -0.014 0.000 0.267 303 T C 1.817 176.267 174.700 -0.416 0.000 1.036 303 T CA 1.540 63.452 62.100 -0.314 0.000 1.148 303 T CB -0.399 68.273 68.868 -0.326 0.000 0.863 303 T HN 0.337 nan 8.240 nan 0.000 0.436 304 L N 0.645 121.664 121.223 -0.339 0.000 2.083 304 L HA -0.150 4.181 4.340 -0.014 0.000 0.209 304 L C 2.906 179.667 176.870 -0.182 0.000 1.083 304 L CA 1.328 56.015 54.840 -0.255 0.000 0.752 304 L CB -0.485 41.465 42.059 -0.180 0.000 0.899 304 L HN 0.364 nan 8.230 nan 0.000 0.433 305 Q N -0.580 119.114 119.800 -0.176 0.000 2.084 305 Q HA -0.244 4.087 4.340 -0.014 0.000 0.202 305 Q C 1.745 177.718 176.000 -0.046 0.000 0.978 305 Q CA 1.655 57.403 55.803 -0.091 0.000 0.844 305 Q CB -0.117 28.558 28.738 -0.105 0.000 0.898 305 Q HN 0.407 nan 8.270 nan 0.000 0.426 306 D N 0.622 120.987 120.400 -0.058 0.000 2.097 306 D HA -0.111 4.520 4.640 -0.014 0.000 0.195 306 D C 1.716 177.950 176.300 -0.110 0.000 0.989 306 D CA 0.892 54.889 54.000 -0.004 0.000 0.827 306 D CB -0.076 40.803 40.800 0.132 0.000 0.966 306 D HN 0.162 nan 8.370 nan 0.000 0.456 307 I N 0.230 120.620 120.570 -0.301 0.000 2.163 307 I HA -0.265 3.897 4.170 -0.014 0.000 0.243 307 I C 2.283 178.395 176.117 -0.008 0.000 1.085 307 I CA 0.839 61.897 61.300 -0.404 0.000 1.347 307 I CB -0.154 37.464 38.000 -0.637 0.000 1.044 307 I HN 0.040 nan 8.210 nan 0.000 0.408 308 I N 0.098 120.725 120.570 0.096 0.000 2.252 308 I HA -0.271 3.891 4.170 -0.014 0.000 0.245 308 I C 2.770 179.042 176.117 0.258 0.000 1.102 308 I CA 1.056 62.531 61.300 0.293 0.000 1.385 308 I CB -0.434 37.706 38.000 0.233 0.000 1.064 308 I HN 0.181 nan 8.210 nan 0.000 0.414 309 R N 1.293 121.875 120.500 0.135 0.000 2.094 309 R HA -0.243 4.088 4.340 -0.014 0.000 0.239 309 R C 2.494 178.857 176.300 0.105 0.000 1.137 309 R CA 1.927 58.090 56.100 0.105 0.000 0.943 309 R CB -0.299 30.040 30.300 0.064 0.000 0.850 309 R HN 0.199 nan 8.270 nan 0.000 0.433 310 R N -0.737 119.822 120.500 0.099 0.000 2.096 310 R HA -0.163 4.169 4.340 -0.014 0.000 0.235 310 R C 2.201 178.588 176.300 0.146 0.000 1.127 310 R CA 1.722 57.889 56.100 0.111 0.000 0.968 310 R CB -0.344 30.013 30.300 0.096 0.000 0.861 310 R HN 0.309 nan 8.270 nan 0.000 0.440 311 F N 1.374 121.348 119.950 0.040 0.000 2.186 311 F HA -0.103 4.415 4.527 -0.014 0.000 0.299 311 F C 1.643 177.438 175.800 -0.007 0.000 1.090 311 F CA 1.449 59.460 58.000 0.018 0.000 1.307 311 F CB 0.062 39.107 39.000 0.075 0.000 1.019 311 F HN -0.167 nan 8.300 nan 0.000 0.489 312 K N -0.333 120.014 120.400 -0.089 0.000 2.217 312 K HA -0.009 4.303 4.320 -0.014 0.000 0.202 312 K C 1.342 177.836 176.600 -0.176 0.000 1.051 312 K CA 1.119 57.279 56.287 -0.211 0.000 0.952 312 K CB -0.204 32.295 32.500 -0.002 0.000 0.736 312 K HN 0.109 nan 8.250 nan 0.000 0.453 313 S N 1.297 116.955 115.700 -0.070 0.000 2.677 313 S HA 0.119 4.581 4.470 -0.014 0.000 0.246 313 S C 0.109 174.680 174.600 -0.048 0.000 1.005 313 S CA -0.309 57.893 58.200 0.003 0.000 1.062 313 S CB 0.223 63.502 63.200 0.131 0.000 0.778 313 S HN 0.122 nan 8.310 nan 0.000 0.461 325 N N 0.798 119.484 118.700 -0.024 0.000 2.558 325 N HA 0.299 5.031 4.740 -0.014 0.000 0.233 325 N C -0.636 174.946 175.510 0.119 0.000 1.038 325 N CA -0.120 52.976 53.050 0.076 0.000 0.934 325 N CB 0.297 38.818 38.487 0.056 0.000 1.175 325 N HN 0.150 nan 8.380 nan 0.000 0.512 326 F N 1.329 121.394 119.950 0.191 0.000 2.797 326 F HA 0.110 4.628 4.527 -0.014 0.000 0.302 326 F C 1.785 177.645 175.800 0.100 0.000 1.130 326 F CA -0.089 57.990 58.000 0.131 0.000 1.387 326 F CB 0.328 39.283 39.000 -0.074 0.000 1.107 326 F HN 0.458 nan 8.300 nan 0.000 0.577 327 D N 0.423 120.961 120.400 0.231 0.000 2.178 327 D HA -0.141 4.491 4.640 -0.014 0.000 0.201 327 D C 2.196 178.586 176.300 0.151 0.000 0.980 327 D CA 1.284 55.377 54.000 0.155 0.000 0.842 327 D CB 0.009 40.876 40.800 0.112 0.000 0.948 327 D HN 0.321 nan 8.370 nan 0.000 0.472 328 A N 0.024 122.960 122.820 0.193 0.000 2.251 328 A HA 0.023 4.334 4.320 -0.014 0.000 0.209 328 A C 1.702 179.405 177.584 0.199 0.000 1.187 328 A CA -0.209 51.942 52.037 0.190 0.000 0.823 328 A CB -0.664 18.456 19.000 0.201 0.000 0.846 328 A HN 0.123 nan 8.150 nan 0.000 0.486 329 F N 1.861 121.768 119.950 -0.070 0.000 2.065 329 F HA -0.148 4.371 4.527 -0.014 0.000 0.298 329 F C -0.740 174.956 175.800 -0.173 0.000 1.112 329 F CA 2.591 60.349 58.000 -0.404 0.000 1.212 329 F CB -0.596 38.156 39.000 -0.414 0.000 0.975 329 F HN 0.200 nan 8.300 nan 0.000 0.476 330 P HA -0.097 nan 4.420 nan 0.000 0.226 330 P C 0.678 177.941 177.300 -0.061 0.000 1.153 330 P CA 1.433 64.508 63.100 -0.041 0.000 0.777 330 P CB -0.087 31.613 31.700 0.001 0.000 0.794 331 D N -0.771 119.613 120.400 -0.027 0.000 2.317 331 D HA -0.034 4.597 4.640 -0.014 0.000 0.211 331 D C 1.502 177.791 176.300 -0.019 0.000 0.966 331 D CA 0.911 54.906 54.000 -0.007 0.000 0.876 331 D CB 0.103 40.918 40.800 0.026 0.000 0.927 331 D HN 0.166 nan 8.370 nan 0.000 0.519 332 K N 0.030 120.396 120.400 -0.056 0.000 2.380 332 K HA 0.208 4.520 4.320 -0.014 0.000 0.198 332 K C -0.097 176.424 176.600 -0.132 0.000 1.070 332 K CA 0.084 56.348 56.287 -0.038 0.000 1.040 332 K CB 2.409 34.983 32.500 0.123 0.000 0.903 332 K HN -0.066 nan 8.250 nan 0.000 0.549 333 V N 1.072 120.824 119.914 -0.270 0.000 2.623 333 V HA 0.571 4.683 4.120 -0.014 0.000 0.304 333 V C -1.090 174.917 176.094 -0.145 0.000 1.054 333 V CA -1.267 60.869 62.300 -0.274 0.000 0.882 333 V CB 1.798 33.168 31.823 -0.755 0.000 1.002 333 V HN 0.111 nan 8.190 nan 0.000 0.424 334 A N 5.788 128.572 122.820 -0.060 0.000 2.343 334 A HA 0.927 5.239 4.320 -0.014 0.000 0.316 334 A C -0.903 176.696 177.584 0.025 0.000 1.104 334 A CA -0.485 51.545 52.037 -0.013 0.000 0.768 334 A CB 0.902 19.843 19.000 -0.098 0.000 1.213 334 A HN 0.778 nan 8.150 nan 0.000 0.456 335 I N 1.865 122.495 120.570 0.101 0.000 2.355 335 I HA 0.289 4.450 4.170 -0.014 0.000 0.288 335 I C -0.253 175.952 176.117 0.147 0.000 0.999 335 I CA -0.531 60.840 61.300 0.119 0.000 1.163 335 I CB 1.892 39.947 38.000 0.093 0.000 1.316 335 I HN 0.682 nan 8.210 nan 0.000 0.454 336 Q N 6.824 126.706 119.800 0.137 0.000 2.340 336 Q HA 0.477 4.808 4.340 -0.014 0.000 0.259 336 Q C -1.254 174.762 176.000 0.026 0.000 0.964 336 Q CA -0.233 55.686 55.803 0.192 0.000 0.900 336 Q CB 1.212 30.164 28.738 0.357 0.000 1.228 336 Q HN 0.575 nan 8.270 nan 0.000 0.449 337 L N 3.942 125.220 121.223 0.091 0.000 2.268 337 L HA 0.360 4.692 4.340 -0.014 0.000 0.289 337 L C 0.060 176.979 176.870 0.081 0.000 1.064 337 L CA -0.681 54.206 54.840 0.078 0.000 0.824 337 L CB 0.405 42.549 42.059 0.142 0.000 1.202 337 L HN 0.559 nan 8.230 nan 0.000 0.433 338 N N 4.370 123.030 118.700 -0.067 0.000 2.421 338 N HA 0.043 4.774 4.740 -0.014 0.000 0.260 338 N C -0.112 175.437 175.510 0.066 0.000 1.173 338 N CA 0.585 53.641 53.050 0.009 0.000 0.960 338 N CB -0.063 38.317 38.487 -0.178 0.000 1.273 338 N HN 0.596 nan 8.380 nan 0.000 0.497 339 D N -0.086 120.455 120.400 0.236 0.000 4.199 339 D HA -0.220 4.412 4.640 -0.014 0.000 0.291 339 D C 0.329 176.726 176.300 0.162 0.000 2.213 339 D CA 1.505 55.613 54.000 0.179 0.000 1.174 339 D CB -0.561 40.044 40.800 -0.325 0.000 1.012 339 D HN 0.503 nan 8.370 nan 0.000 1.213 340 T N -2.471 112.092 114.554 0.015 0.000 3.129 340 T HA 0.108 4.450 4.350 -0.014 0.000 0.251 340 T C 1.631 176.391 174.700 0.101 0.000 1.117 340 T CA 1.462 63.567 62.100 0.008 0.000 1.034 340 T CB -0.482 68.383 68.868 -0.005 0.000 0.968 340 T HN 0.505 nan 8.240 nan 0.000 0.526 341 H N 2.610 121.771 119.070 0.151 0.000 2.352 341 H HA 0.006 4.554 4.556 -0.014 0.000 0.299 341 H C -0.880 174.534 175.328 0.143 0.000 1.097 341 H CA 0.988 57.132 56.048 0.159 0.000 1.311 341 H CB -0.875 28.973 29.762 0.143 0.000 1.377 341 H HN 0.433 nan 8.280 nan 0.000 0.504 342 P HA 0.076 nan 4.420 nan 0.000 0.254 342 P C 0.706 178.056 177.300 0.084 0.000 1.620 342 P CA 0.334 63.517 63.100 0.138 0.000 1.050 342 P CB 0.303 32.073 31.700 0.117 0.000 1.539 343 S N -0.381 115.365 115.700 0.076 0.000 2.442 343 S HA -0.110 4.352 4.470 -0.014 0.000 0.236 343 S C 1.717 176.331 174.600 0.022 0.000 1.007 343 S CA 0.716 58.925 58.200 0.015 0.000 0.965 343 S CB -1.416 61.770 63.200 -0.022 0.000 0.773 343 S HN 0.150 nan 8.310 nan 0.000 0.504 344 L N 0.972 122.221 121.223 0.043 0.000 2.456 344 L HA 0.034 4.366 4.340 -0.014 0.000 0.224 344 L C 2.956 179.865 176.870 0.065 0.000 1.148 344 L CA 0.610 55.474 54.840 0.040 0.000 0.825 344 L CB -0.782 41.295 42.059 0.029 0.000 0.937 344 L HN 0.468 nan 8.230 nan 0.000 0.450 345 A N 0.689 123.531 122.820 0.037 0.000 1.948 345 A HA -0.228 4.084 4.320 -0.014 0.000 0.220 345 A C 2.176 179.767 177.584 0.013 0.000 1.177 345 A CA 1.691 53.736 52.037 0.013 0.000 0.636 345 A CB -0.514 18.486 19.000 0.000 0.000 0.815 345 A HN 0.382 nan 8.150 nan 0.000 0.449 346 I N 0.194 120.774 120.570 0.017 0.000 2.133 346 I HA -0.140 4.021 4.170 -0.014 0.000 0.238 346 I C -0.348 175.798 176.117 0.048 0.000 1.074 346 I CA 1.571 62.881 61.300 0.016 0.000 1.342 346 I CB -0.948 37.065 38.000 0.022 0.000 1.053 346 I HN 0.250 nan 8.210 nan 0.000 0.404 347 P HA -0.160 nan 4.420 nan 0.000 0.221 347 P C 1.270 178.612 177.300 0.070 0.000 1.150 347 P CA 1.432 64.578 63.100 0.077 0.000 0.800 347 P CB 0.053 31.816 31.700 0.104 0.000 0.787 348 E N 0.334 120.637 120.200 0.172 0.000 2.072 348 E HA -0.156 4.186 4.350 -0.014 0.000 0.191 348 E C 1.935 178.536 176.600 0.001 0.000 0.985 348 E CA 0.721 57.237 56.400 0.192 0.000 0.801 348 E CB -1.226 28.627 29.700 0.255 0.000 0.750 348 E HN -0.012 nan 8.360 nan 0.000 0.452 349 L N 0.021 121.213 121.223 -0.051 0.000 2.017 349 L HA -0.133 4.199 4.340 -0.014 0.000 0.208 349 L C 2.130 178.872 176.870 -0.215 0.000 1.073 349 L CA 1.830 56.581 54.840 -0.148 0.000 0.745 349 L CB -0.619 41.353 42.059 -0.145 0.000 0.894 349 L HN 0.247 nan 8.230 nan 0.000 0.432 350 M N -0.808 118.681 119.600 -0.186 0.000 2.080 350 M HA -0.242 4.229 4.480 -0.014 0.000 0.260 350 M C 2.435 178.584 176.300 -0.253 0.000 1.068 350 M CA 1.644 56.783 55.300 -0.268 0.000 1.109 350 M CB -1.279 31.148 32.600 -0.289 0.000 1.342 350 M HN 0.339 nan 8.290 nan 0.000 0.405 351 R N 0.065 120.442 120.500 -0.205 0.000 2.080 351 R HA -0.144 4.188 4.340 -0.014 0.000 0.236 351 R C 2.101 178.301 176.300 -0.166 0.000 1.137 351 R CA 1.841 57.818 56.100 -0.204 0.000 0.943 351 R CB -0.248 29.879 30.300 -0.289 0.000 0.846 351 R HN 0.217 nan 8.270 nan 0.000 0.431 352 V N 1.509 121.326 119.914 -0.161 0.000 2.295 352 V HA -0.268 3.844 4.120 -0.014 0.000 0.246 352 V C 2.421 178.356 176.094 -0.265 0.000 1.049 352 V CA 1.836 64.032 62.300 -0.172 0.000 1.024 352 V CB -0.434 31.288 31.823 -0.168 0.000 0.648 352 V HN 0.356 nan 8.190 nan 0.000 0.447 353 L N -0.700 120.306 121.223 -0.362 0.000 2.093 353 L HA -0.123 4.209 4.340 -0.014 0.000 0.208 353 L C 2.361 179.047 176.870 -0.307 0.000 1.085 353 L CA 1.059 55.617 54.840 -0.469 0.000 0.755 353 L CB -0.589 41.149 42.059 -0.536 0.000 0.904 353 L HN 0.213 nan 8.230 nan 0.000 0.435 354 V N -0.605 119.175 119.914 -0.224 0.000 2.341 354 V HA -0.157 3.954 4.120 -0.014 0.000 0.240 354 V C 1.936 177.985 176.094 -0.075 0.000 1.035 354 V CA 1.599 63.827 62.300 -0.120 0.000 1.033 354 V CB -0.307 31.477 31.823 -0.064 0.000 0.678 354 V HN 0.329 nan 8.190 nan 0.000 0.464 355 D N 0.019 120.371 120.400 -0.080 0.000 2.149 355 D HA -0.012 4.620 4.640 -0.014 0.000 0.201 355 D C 1.997 178.267 176.300 -0.050 0.000 0.972 355 D CA 1.171 55.139 54.000 -0.052 0.000 0.835 355 D CB 0.086 40.852 40.800 -0.057 0.000 0.966 355 D HN 0.336 nan 8.370 nan 0.000 0.476 356 L N 0.076 121.254 121.223 -0.074 0.000 2.362 356 L HA 0.135 4.467 4.340 -0.014 0.000 0.204 356 L C 1.815 178.650 176.870 -0.058 0.000 1.060 356 L CA 0.438 55.245 54.840 -0.055 0.000 0.827 356 L CB 0.050 42.079 42.059 -0.050 0.000 1.027 356 L HN -0.198 nan 8.230 nan 0.000 0.474 357 E N 0.397 120.525 120.200 -0.120 0.000 2.474 357 E HA 0.033 4.375 4.350 -0.014 0.000 0.194 357 E C 0.137 176.690 176.600 -0.079 0.000 1.041 357 E CA -0.043 56.288 56.400 -0.115 0.000 0.874 357 E CB 0.379 29.885 29.700 -0.324 0.000 0.914 357 E HN 0.195 nan 8.360 nan 0.000 0.498 358 R N -0.457 119.996 120.500 -0.078 0.000 3.878 358 R HA -0.182 4.149 4.340 -0.014 0.000 0.330 358 R C -0.219 176.061 176.300 -0.034 0.000 1.186 358 R CA 0.243 56.321 56.100 -0.036 0.000 0.885 358 R CB -2.845 27.453 30.300 -0.003 0.000 1.377 358 R HN 0.101 nan 8.270 nan 0.000 0.523 359 L N 1.800 122.972 121.223 -0.085 0.000 2.452 359 L HA 0.079 4.411 4.340 -0.014 0.000 0.267 359 L C 1.279 178.137 176.870 -0.021 0.000 1.188 359 L CA 0.450 55.250 54.840 -0.066 0.000 0.821 359 L CB 0.339 42.309 42.059 -0.147 0.000 1.102 359 L HN 0.180 nan 8.230 nan 0.000 0.470 360 D N 0.367 120.780 120.400 0.022 0.000 2.362 360 D HA -0.094 4.538 4.640 -0.014 0.000 0.242 360 D C 0.948 177.314 176.300 0.110 0.000 1.132 360 D CA -0.454 53.595 54.000 0.081 0.000 0.907 360 D CB 0.482 41.335 40.800 0.089 0.000 1.195 360 D HN 0.527 nan 8.370 nan 0.000 0.429 361 W N 2.057 123.361 121.300 0.007 0.000 2.317 361 W HA -0.254 4.398 4.660 -0.014 0.000 0.318 361 W C 0.848 177.413 176.519 0.078 0.000 1.227 361 W CA 1.918 59.275 57.345 0.019 0.000 1.269 361 W CB -0.351 29.100 29.460 -0.014 0.000 1.155 361 W HN 0.528 nan 8.180 nan 0.000 0.484 362 D N 0.241 120.837 120.400 0.327 0.000 2.144 362 D HA -0.190 4.441 4.640 -0.014 0.000 0.199 362 D C 1.883 178.283 176.300 0.167 0.000 0.984 362 D CA 1.837 56.006 54.000 0.282 0.000 0.834 362 D CB -0.356 40.584 40.800 0.234 0.000 0.955 362 D HN 0.107 nan 8.370 nan 0.000 0.465 363 K N 1.322 121.777 120.400 0.092 0.000 2.062 363 K HA 0.028 4.340 4.320 -0.014 0.000 0.205 363 K C 1.871 178.457 176.600 -0.024 0.000 1.051 363 K CA 1.358 57.671 56.287 0.043 0.000 0.941 363 K CB -0.529 31.993 32.500 0.037 0.000 0.719 363 K HN -0.022 nan 8.250 nan 0.000 0.440 364 A N 0.779 123.542 122.820 -0.095 0.000 1.883 364 A HA -0.204 4.107 4.320 -0.014 0.000 0.217 364 A C 2.256 179.736 177.584 -0.174 0.000 1.186 364 A CA 1.604 53.516 52.037 -0.208 0.000 0.624 364 A CB -1.272 17.541 19.000 -0.311 0.000 0.822 364 A HN 0.706 nan 8.150 nan 0.000 0.444 365 W N 0.588 121.666 121.300 -0.370 0.000 2.358 365 W HA -0.162 4.490 4.660 -0.014 0.000 0.303 365 W C 1.995 178.452 176.519 -0.103 0.000 1.208 365 W CA 1.823 59.001 57.345 -0.277 0.000 1.274 365 W CB -0.142 29.179 29.460 -0.232 0.000 1.138 365 W HN 0.606 nan 8.180 nan 0.000 0.515 366 E N 0.088 120.271 120.200 -0.029 0.000 2.058 366 E HA -0.231 4.111 4.350 -0.014 0.000 0.194 366 E C 2.043 178.564 176.600 -0.130 0.000 0.997 366 E CA 1.970 58.324 56.400 -0.076 0.000 0.801 366 E CB -0.281 29.432 29.700 0.022 0.000 0.746 366 E HN 0.071 nan 8.360 nan 0.000 0.450 367 V N 0.621 120.470 119.914 -0.108 0.000 2.343 367 V HA -0.246 3.866 4.120 -0.014 0.000 0.247 367 V C 2.391 178.416 176.094 -0.114 0.000 1.051 367 V CA 2.143 64.397 62.300 -0.076 0.000 1.036 367 V CB -0.738 31.031 31.823 -0.090 0.000 0.654 367 V HN 0.361 nan 8.190 nan 0.000 0.451 368 T N 0.071 114.482 114.554 -0.238 0.000 2.708 368 T HA -0.176 4.166 4.350 -0.014 0.000 0.266 368 T C 1.955 176.475 174.700 -0.300 0.000 1.037 368 T CA 1.779 63.714 62.100 -0.276 0.000 1.146 368 T CB -0.270 68.376 68.868 -0.370 0.000 0.865 368 T HN 0.276 nan 8.240 nan 0.000 0.435 369 V N 1.382 121.004 119.914 -0.487 0.000 2.343 369 V HA -0.164 3.948 4.120 -0.014 0.000 0.247 369 V C 2.356 178.411 176.094 -0.065 0.000 1.051 369 V CA 1.625 63.702 62.300 -0.373 0.000 1.036 369 V CB -0.484 31.040 31.823 -0.497 0.000 0.654 369 V HN 0.460 nan 8.190 nan 0.000 0.451 370 K N -0.437 119.907 120.400 -0.093 0.000 2.283 370 K HA -0.091 4.221 4.320 -0.014 0.000 0.202 370 K C 2.075 178.647 176.600 -0.048 0.000 1.048 370 K CA 1.547 57.761 56.287 -0.121 0.000 0.948 370 K CB -0.202 32.227 32.500 -0.118 0.000 0.742 370 K HN 0.485 nan 8.250 nan 0.000 0.458 371 T N 0.135 114.723 114.554 0.055 0.000 2.939 371 T HA 0.018 4.360 4.350 -0.014 0.000 0.254 371 T C 0.938 175.750 174.700 0.187 0.000 1.041 371 T CA 0.402 62.570 62.100 0.114 0.000 1.142 371 T CB 0.100 69.073 68.868 0.175 0.000 0.874 371 T HN 0.159 nan 8.240 nan 0.000 0.452 372 C N 2.262 121.660 119.300 0.163 0.000 2.365 372 C HA 0.885 5.337 4.460 -0.014 0.000 0.351 372 C C 0.569 175.627 174.990 0.114 0.000 1.240 372 C CA -1.188 57.906 59.018 0.127 0.000 2.062 372 C CB 0.183 27.938 27.740 0.025 0.000 2.387 372 C HN 0.603 nan 8.230 nan 0.000 0.537 373 A N 2.027 124.907 122.820 0.101 0.000 2.515 373 A HA 0.766 5.077 4.320 -0.014 0.000 0.298 373 A C -1.586 176.079 177.584 0.134 0.000 1.059 373 A CA -0.423 51.621 52.037 0.010 0.000 0.698 373 A CB 1.059 20.063 19.000 0.007 0.000 1.289 373 A HN 0.946 nan 8.150 nan 0.000 0.404 374 Y N 1.065 121.323 120.300 -0.070 0.000 2.376 374 Y HA 0.627 5.169 4.550 -0.013 0.000 0.340 374 Y C -0.536 175.353 175.900 -0.019 0.000 0.965 374 Y CA -0.332 57.740 58.100 -0.046 0.000 1.078 374 Y CB 2.054 40.446 38.460 -0.114 0.000 1.193 374 Y HN 0.565 nan 8.280 nan 0.000 0.452 375 T N 6.561 120.897 114.554 -0.362 0.000 2.756 375 T HA 0.170 4.512 4.350 -0.014 0.000 0.290 375 T C -0.642 173.584 174.700 -0.791 0.000 0.985 375 T CA -0.757 61.061 62.100 -0.471 0.000 0.955 375 T CB 0.317 69.137 68.868 -0.079 0.000 0.930 375 T HN 0.639 nan 8.240 nan 0.000 0.451 376 N N 1.812 120.040 118.700 -0.786 0.000 2.518 376 N HA 0.107 4.839 4.740 -0.014 0.000 0.283 376 N C 0.176 175.576 175.510 -0.184 0.000 1.119 376 N CA -0.239 52.609 53.050 -0.338 0.000 0.983 376 N CB 0.746 39.225 38.487 -0.013 0.000 1.139 376 N HN 0.648 nan 8.380 nan 0.000 0.465 377 H N 0.876 119.978 119.070 0.054 0.000 2.986 377 H HA 0.165 4.713 4.556 -0.014 0.000 0.267 377 H C -0.144 175.088 175.328 -0.160 0.000 1.072 377 H CA 0.148 56.172 56.048 -0.040 0.000 1.202 377 H CB 1.189 30.934 29.762 -0.028 0.000 1.535 377 H HN 0.527 nan 8.280 nan 0.000 0.522 378 T N 0.045 114.613 114.554 0.024 0.000 2.827 378 T HA 0.199 4.541 4.350 -0.014 0.000 0.328 378 T C 0.491 175.217 174.700 0.044 0.000 1.598 378 T CA -0.286 61.774 62.100 -0.067 0.000 1.043 378 T CB 1.201 70.012 68.868 -0.095 0.000 1.447 378 T HN -0.055 nan 8.240 nan 0.000 0.491 379 V N 1.670 121.574 119.914 -0.015 0.000 3.660 379 V HA 0.545 4.656 4.120 -0.014 0.000 0.276 379 V C 0.764 176.814 176.094 -0.074 0.000 1.317 379 V CA 0.113 62.385 62.300 -0.047 0.000 1.097 379 V CB -0.531 31.260 31.823 -0.054 0.000 0.863 379 V HN 0.684 nan 8.190 nan 0.000 0.438 380 L N 2.987 124.148 121.223 -0.103 0.000 2.534 380 L HA 0.205 4.537 4.340 -0.014 0.000 0.271 380 L C -0.598 176.251 176.870 -0.035 0.000 1.178 380 L CA -1.021 53.768 54.840 -0.084 0.000 0.907 380 L CB 0.582 42.542 42.059 -0.165 0.000 1.164 380 L HN 0.134 nan 8.230 nan 0.000 0.482 381 P HA -0.210 nan 4.420 nan 0.000 0.218 381 P C 1.016 178.313 177.300 -0.005 0.000 1.148 381 P CA 1.225 64.320 63.100 -0.009 0.000 0.822 381 P CB 0.051 31.748 31.700 -0.006 0.000 0.784 382 E N 0.425 120.632 120.200 0.013 0.000 2.333 382 E HA -0.101 4.241 4.350 -0.014 0.000 0.198 382 E C 1.653 178.256 176.600 0.006 0.000 1.007 382 E CA 1.345 57.754 56.400 0.015 0.000 0.845 382 E CB -0.800 28.933 29.700 0.054 0.000 0.766 382 E HN 0.226 nan 8.360 nan 0.000 0.507 383 A N 1.242 124.067 122.820 0.009 0.000 2.220 383 A HA 0.242 4.554 4.320 -0.014 0.000 0.211 383 A C 1.304 178.903 177.584 0.026 0.000 1.176 383 A CA -0.336 51.715 52.037 0.025 0.000 0.834 383 A CB -0.007 19.011 19.000 0.030 0.000 0.868 383 A HN 0.120 nan 8.150 nan 0.000 0.488 384 L N 1.596 122.822 121.223 0.004 0.000 2.360 384 L HA 0.159 4.491 4.340 -0.014 0.000 0.276 384 L C -0.041 176.788 176.870 -0.067 0.000 1.121 384 L CA -0.110 54.730 54.840 0.000 0.000 0.845 384 L CB 0.569 42.630 42.059 0.004 0.000 1.143 384 L HN 0.322 nan 8.230 nan 0.000 0.452 385 E N 4.026 124.180 120.200 -0.077 0.000 2.223 385 E HA 0.253 4.595 4.350 -0.014 0.000 0.282 385 E C -0.634 175.816 176.600 -0.251 0.000 1.046 385 E CA -0.260 56.008 56.400 -0.221 0.000 0.857 385 E CB 0.836 30.456 29.700 -0.133 0.000 1.055 385 E HN 0.393 nan 8.360 nan 0.000 0.409 386 R N 3.495 123.777 120.500 -0.363 0.000 2.467 386 R HA 0.220 4.552 4.340 -0.014 0.000 0.299 386 R C -1.402 174.739 176.300 -0.265 0.000 1.120 386 R CA -0.499 55.465 56.100 -0.227 0.000 0.940 386 R CB 0.915 31.134 30.300 -0.135 0.000 1.161 386 R HN 0.444 nan 8.270 nan 0.000 0.506 387 W N 4.814 126.083 121.300 -0.053 0.000 2.316 387 W HA 0.314 4.966 4.660 -0.014 0.000 0.311 387 W C -1.886 174.570 176.519 -0.105 0.000 1.217 387 W CA -2.196 55.102 57.345 -0.079 0.000 1.199 387 W CB 0.886 30.294 29.460 -0.087 0.000 1.202 387 W HN 0.285 nan 8.180 nan 0.000 0.528 388 P HA -0.090 nan 4.420 nan 0.000 0.264 388 P C 0.792 178.009 177.300 -0.137 0.000 1.193 388 P CA 0.216 63.264 63.100 -0.087 0.000 0.763 388 P CB 0.767 32.252 31.700 -0.358 0.000 0.810 389 V N 3.245 123.132 119.914 -0.045 0.000 2.392 389 V HA -0.286 3.825 4.120 -0.014 0.000 0.249 389 V C 2.129 178.218 176.094 -0.009 0.000 1.059 389 V CA 2.550 64.852 62.300 0.002 0.000 1.051 389 V CB -1.681 30.211 31.823 0.114 0.000 0.658 389 V HN 0.762 nan 8.190 nan 0.000 0.455 390 H N -1.188 117.934 119.070 0.086 0.000 2.456 390 H HA -0.090 4.458 4.556 -0.014 0.000 0.296 390 H C 2.052 177.422 175.328 0.069 0.000 1.079 390 H CA 1.612 57.707 56.048 0.078 0.000 1.322 390 H CB -0.604 29.206 29.762 0.080 0.000 1.388 390 H HN 0.352 nan 8.280 nan 0.000 0.538 391 L N 0.016 121.094 121.223 -0.241 0.000 1.994 391 L HA -0.130 4.201 4.340 -0.014 0.000 0.208 391 L C 2.361 179.175 176.870 -0.093 0.000 1.071 391 L CA 1.239 56.024 54.840 -0.093 0.000 0.745 391 L CB -0.267 41.718 42.059 -0.123 0.000 0.892 391 L HN 0.319 nan 8.230 nan 0.000 0.431 392 L N -0.793 120.348 121.223 -0.136 0.000 2.093 392 L HA -0.229 4.103 4.340 -0.014 0.000 0.208 392 L C 2.447 179.253 176.870 -0.107 0.000 1.085 392 L CA 1.054 55.791 54.840 -0.171 0.000 0.755 392 L CB -0.458 41.487 42.059 -0.189 0.000 0.904 392 L HN 0.292 nan 8.230 nan 0.000 0.435 393 E N -0.324 119.857 120.200 -0.032 0.000 2.049 393 E HA -0.239 4.103 4.350 -0.014 0.000 0.198 393 E C 2.001 178.638 176.600 0.062 0.000 1.007 393 E CA 2.160 58.578 56.400 0.029 0.000 0.809 393 E CB 0.066 29.823 29.700 0.096 0.000 0.749 393 E HN 0.464 nan 8.360 nan 0.000 0.450 394 T N 0.580 115.191 114.554 0.096 0.000 2.851 394 T HA -0.082 4.260 4.350 -0.014 0.000 0.262 394 T C 1.735 176.533 174.700 0.163 0.000 1.043 394 T CA 0.613 62.819 62.100 0.177 0.000 1.140 394 T CB -0.100 68.904 68.868 0.228 0.000 0.872 394 T HN 0.035 nan 8.240 nan 0.000 0.446 395 L N 0.012 121.229 121.223 -0.010 0.000 2.127 395 L HA 0.361 4.693 4.340 -0.014 0.000 0.203 395 L C 0.381 177.196 176.870 -0.090 0.000 1.080 395 L CA 1.566 56.290 54.840 -0.193 0.000 0.768 395 L CB 0.017 41.928 42.059 -0.248 0.000 0.924 395 L HN 0.177 nan 8.230 nan 0.000 0.444 396 L N 0.619 121.744 121.223 -0.164 0.000 2.551 396 L HA 0.297 4.628 4.340 -0.014 0.000 0.248 396 L C -1.755 174.926 176.870 -0.314 0.000 1.509 396 L CA -0.906 53.742 54.840 -0.320 0.000 0.842 396 L CB 0.931 42.651 42.059 -0.565 0.000 1.087 396 L HN -0.062 nan 8.230 nan 0.000 0.512 397 P HA -0.178 nan 4.420 nan 0.000 0.217 397 P C 1.500 178.603 177.300 -0.328 0.000 1.150 397 P CA 1.110 64.091 63.100 -0.199 0.000 0.832 397 P CB 0.360 32.029 31.700 -0.053 0.000 0.787 398 R N -0.233 119.876 120.500 -0.651 0.000 2.092 398 R HA -0.146 4.186 4.340 -0.014 0.000 0.231 398 R C 2.294 178.273 176.300 -0.536 0.000 1.119 398 R CA 1.559 57.282 56.100 -0.627 0.000 0.970 398 R CB -1.311 28.453 30.300 -0.894 0.000 0.864 398 R HN 0.213 nan 8.270 nan 0.000 0.440 399 H N -0.217 118.530 119.070 -0.538 0.000 2.387 399 H HA -0.061 4.487 4.556 -0.014 0.000 0.299 399 H C 1.804 176.955 175.328 -0.295 0.000 1.090 399 H CA 1.646 57.465 56.048 -0.381 0.000 1.332 399 H CB -0.078 29.417 29.762 -0.445 0.000 1.386 399 H HN 0.107 nan 8.280 nan 0.000 0.516 400 L N 0.548 121.641 121.223 -0.216 0.000 2.046 400 L HA -0.250 4.082 4.340 -0.014 0.000 0.208 400 L C 1.896 178.570 176.870 -0.327 0.000 1.077 400 L CA 1.616 56.263 54.840 -0.321 0.000 0.747 400 L CB -0.302 41.588 42.059 -0.281 0.000 0.896 400 L HN 0.458 nan 8.230 nan 0.000 0.432 401 Q N -0.282 119.438 119.800 -0.133 0.000 2.096 401 Q HA -0.248 4.084 4.340 -0.014 0.000 0.204 401 Q C 2.165 178.182 176.000 0.027 0.000 0.982 401 Q CA 1.732 57.549 55.803 0.023 0.000 0.850 401 Q CB -0.151 28.601 28.738 0.024 0.000 0.901 401 Q HN 0.549 nan 8.270 nan 0.000 0.422 402 I N 0.487 121.050 120.570 -0.012 0.000 2.226 402 I HA -0.281 3.881 4.170 -0.014 0.000 0.245 402 I C 2.184 178.369 176.117 0.114 0.000 1.100 402 I CA 1.078 62.450 61.300 0.119 0.000 1.374 402 I CB -0.169 37.859 38.000 0.046 0.000 1.057 402 I HN 0.185 nan 8.210 nan 0.000 0.413 403 I N -0.540 120.016 120.570 -0.022 0.000 2.226 403 I HA -0.321 3.840 4.170 -0.014 0.000 0.245 403 I C 2.395 178.518 176.117 0.010 0.000 1.100 403 I CA 1.435 62.710 61.300 -0.042 0.000 1.374 403 I CB -0.417 37.494 38.000 -0.148 0.000 1.057 403 I HN 0.158 nan 8.210 nan 0.000 0.413 404 Y N 0.857 121.163 120.300 0.009 0.000 2.181 404 Y HA -0.278 4.264 4.550 -0.014 0.000 0.288 404 Y C 2.622 178.489 175.900 -0.056 0.000 1.146 404 Y CA 1.564 59.655 58.100 -0.015 0.000 1.164 404 Y CB -0.796 37.648 38.460 -0.027 0.000 0.982 404 Y HN 0.178 nan 8.280 nan 0.000 0.515 405 E N 0.366 120.602 120.200 0.060 0.000 2.106 405 E HA -0.140 4.202 4.350 -0.014 0.000 0.192 405 E C 2.075 178.586 176.600 -0.147 0.000 0.984 405 E CA 1.186 57.479 56.400 -0.177 0.000 0.806 405 E CB -0.537 28.888 29.700 -0.458 0.000 0.750 405 E HN 0.482 nan 8.360 nan 0.000 0.458 406 I N 0.582 121.172 120.570 0.033 0.000 2.179 406 I HA -0.292 3.870 4.170 -0.014 0.000 0.242 406 I C 2.284 178.408 176.117 0.013 0.000 1.088 406 I CA 1.410 62.691 61.300 -0.033 0.000 1.357 406 I CB -0.407 37.583 38.000 -0.017 0.000 1.051 406 I HN 0.204 nan 8.210 nan 0.000 0.409 407 N N 0.750 119.502 118.700 0.086 0.000 2.069 407 N HA -0.283 4.449 4.740 -0.014 0.000 0.191 407 N C 1.873 177.472 175.510 0.149 0.000 1.031 407 N CA 1.710 54.859 53.050 0.164 0.000 0.852 407 N CB -0.190 38.409 38.487 0.186 0.000 1.018 407 N HN 0.316 nan 8.380 nan 0.000 0.423 408 Q N 0.076 119.910 119.800 0.056 0.000 2.030 408 Q HA -0.175 4.157 4.340 -0.014 0.000 0.204 408 Q C 2.066 178.055 176.000 -0.020 0.000 0.986 408 Q CA 1.649 57.450 55.803 -0.004 0.000 0.843 408 Q CB -0.062 28.633 28.738 -0.073 0.000 0.904 408 Q HN 0.386 nan 8.270 nan 0.000 0.420 409 R N -0.711 119.751 120.500 -0.063 0.000 2.096 409 R HA -0.141 4.190 4.340 -0.014 0.000 0.235 409 R C 2.181 178.503 176.300 0.037 0.000 1.127 409 R CA 1.371 57.431 56.100 -0.065 0.000 0.968 409 R CB -0.385 29.823 30.300 -0.153 0.000 0.861 409 R HN 0.305 nan 8.270 nan 0.000 0.440 410 F N 1.308 121.236 119.950 -0.037 0.000 2.146 410 F HA -0.085 4.433 4.527 -0.014 0.000 0.298 410 F C 1.837 177.663 175.800 0.042 0.000 1.096 410 F CA 1.303 59.328 58.000 0.043 0.000 1.275 410 F CB -0.106 38.952 39.000 0.096 0.000 1.008 410 F HN -0.116 nan 8.300 nan 0.000 0.480 411 L N -0.033 121.217 121.223 0.044 0.000 2.201 411 L HA -0.211 4.120 4.340 -0.014 0.000 0.212 411 L C 1.974 178.789 176.870 -0.093 0.000 1.105 411 L CA 1.404 56.215 54.840 -0.049 0.000 0.775 411 L CB -0.849 41.238 42.059 0.047 0.000 0.913 411 L HN 0.240 nan 8.230 nan 0.000 0.440 412 N N -0.185 118.473 118.700 -0.070 0.000 2.223 412 N HA -0.200 4.532 4.740 -0.014 0.000 0.185 412 N C 1.953 177.407 175.510 -0.093 0.000 1.016 412 N CA 0.731 53.739 53.050 -0.070 0.000 0.863 412 N CB 0.003 38.455 38.487 -0.058 0.000 0.983 412 N HN 0.239 nan 8.380 nan 0.000 0.429 413 R N 0.699 121.118 120.500 -0.136 0.000 2.090 413 R HA -0.006 4.325 4.340 -0.014 0.000 0.228 413 R C 2.022 178.209 176.300 -0.188 0.000 1.110 413 R CA 0.603 56.612 56.100 -0.151 0.000 0.973 413 R CB 0.014 30.221 30.300 -0.154 0.000 0.869 413 R HN 0.016 nan 8.270 nan 0.000 0.440 414 V N 0.701 120.456 119.914 -0.266 0.000 2.295 414 V HA -0.223 3.889 4.120 -0.014 0.000 0.246 414 V C 2.375 178.462 176.094 -0.010 0.000 1.049 414 V CA 1.953 64.170 62.300 -0.138 0.000 1.024 414 V CB -0.732 30.959 31.823 -0.221 0.000 0.648 414 V HN 0.479 nan 8.190 nan 0.000 0.447 415 A N 0.078 122.869 122.820 -0.049 0.000 1.908 415 A HA -0.161 4.151 4.320 -0.014 0.000 0.218 415 A C 2.376 179.939 177.584 -0.035 0.000 1.181 415 A CA 2.276 54.300 52.037 -0.021 0.000 0.627 415 A CB -0.750 18.230 19.000 -0.033 0.000 0.818 415 A HN 0.595 nan 8.150 nan 0.000 0.445 416 A N -0.716 122.062 122.820 -0.070 0.000 1.968 416 A HA 0.316 4.628 4.320 -0.014 0.000 0.217 416 A C 2.361 179.857 177.584 -0.148 0.000 1.169 416 A CA 1.682 53.666 52.037 -0.088 0.000 0.638 416 A CB -0.651 18.301 19.000 -0.081 0.000 0.812 416 A HN 0.975 nan 8.150 nan 0.000 0.446 417 A N -1.607 121.082 122.820 -0.218 0.000 1.975 417 A HA 0.386 4.698 4.320 -0.014 0.000 0.215 417 A C 0.394 177.530 177.584 -0.746 0.000 1.170 417 A CA 0.503 52.243 52.037 -0.494 0.000 0.656 417 A CB -0.137 18.499 19.000 -0.607 0.000 0.821 417 A HN 0.411 nan 8.150 nan 0.000 0.449 418 F N 0.088 119.993 119.950 -0.075 0.000 2.622 418 F HA 0.352 4.871 4.527 -0.014 0.000 0.338 418 F C -2.815 172.950 175.800 -0.058 0.000 1.334 418 F CA -2.844 55.117 58.000 -0.066 0.000 1.179 418 F CB 0.882 39.836 39.000 -0.077 0.000 1.471 418 F HN -0.068 nan 8.300 nan 0.000 0.576 419 P HA 0.229 nan 4.420 nan 0.000 0.268 419 P C 1.004 178.325 177.300 0.036 0.000 1.204 419 P CA 0.807 63.921 63.100 0.023 0.000 0.768 419 P CB 1.040 32.735 31.700 -0.009 0.000 0.842 420 G N 2.294 111.107 108.800 0.022 0.000 2.212 420 G HA2 -0.250 3.701 3.960 -0.014 0.000 0.266 420 G HA3 -0.250 3.701 3.960 -0.014 0.000 0.266 420 G C 0.349 175.259 174.900 0.017 0.000 0.978 420 G CA 0.076 45.185 45.100 0.015 0.000 0.632 420 G HN 0.610 nan 8.290 nan 0.000 0.537 421 D N 1.422 121.841 120.400 0.031 0.000 2.551 421 D HA 0.367 4.998 4.640 -0.014 0.000 0.223 421 D C 2.099 178.392 176.300 -0.011 0.000 1.144 421 D CA 0.422 54.427 54.000 0.008 0.000 1.025 421 D CB 0.361 41.165 40.800 0.006 0.000 1.085 421 D HN 0.581 nan 8.370 nan 0.000 0.506 422 V N 0.645 120.553 119.914 -0.009 0.000 2.515 422 V HA -0.129 3.982 4.120 -0.014 0.000 0.250 422 V C 1.763 177.849 176.094 -0.014 0.000 1.058 422 V CA 1.430 63.724 62.300 -0.009 0.000 1.064 422 V CB -0.426 31.395 31.823 -0.004 0.000 0.675 422 V HN 0.202 nan 8.190 nan 0.000 0.461 423 D N 0.253 120.641 120.400 -0.021 0.000 2.183 423 D HA -0.123 4.509 4.640 -0.014 0.000 0.203 423 D C 2.324 178.600 176.300 -0.039 0.000 0.969 423 D CA 1.034 55.022 54.000 -0.021 0.000 0.842 423 D CB -0.160 40.628 40.800 -0.020 0.000 0.957 423 D HN 0.414 nan 8.370 nan 0.000 0.484 424 R N -0.072 120.382 120.500 -0.076 0.000 2.081 424 R HA -0.101 4.231 4.340 -0.014 0.000 0.235 424 R C 2.212 178.453 176.300 -0.099 0.000 1.131 424 R CA 0.931 56.952 56.100 -0.132 0.000 0.960 424 R CB -0.257 29.912 30.300 -0.219 0.000 0.856 424 R HN 0.252 nan 8.270 nan 0.000 0.436 425 L N 0.567 121.757 121.223 -0.056 0.000 2.012 425 L HA -0.228 4.104 4.340 -0.014 0.000 0.210 425 L C 2.700 179.580 176.870 0.017 0.000 1.073 425 L CA 1.981 56.808 54.840 -0.022 0.000 0.748 425 L CB -0.516 41.538 42.059 -0.008 0.000 0.891 425 L HN 0.307 nan 8.230 nan 0.000 0.431 426 R N 0.022 120.535 120.500 0.022 0.000 2.115 426 R HA -0.093 4.238 4.340 -0.014 0.000 0.226 426 R C 2.179 178.529 176.300 0.083 0.000 1.100 426 R CA 0.942 57.074 56.100 0.054 0.000 0.980 426 R CB -0.521 29.806 30.300 0.044 0.000 0.875 426 R HN 0.180 nan 8.270 nan 0.000 0.445 427 R N 0.141 120.673 120.500 0.053 0.000 2.092 427 R HA 0.090 4.422 4.340 -0.014 0.000 0.231 427 R C 2.034 178.401 176.300 0.111 0.000 1.119 427 R CA 1.824 57.977 56.100 0.087 0.000 0.970 427 R CB -0.185 30.132 30.300 0.028 0.000 0.864 427 R HN 0.332 nan 8.270 nan 0.000 0.440 428 M N 0.010 119.603 119.600 -0.011 0.000 2.509 428 M HA 0.043 4.515 4.480 -0.014 0.000 0.250 428 M C 0.832 177.234 176.300 0.170 0.000 1.132 428 M CA -0.001 55.224 55.300 -0.124 0.000 1.080 428 M CB 0.478 32.883 32.600 -0.325 0.000 1.408 428 M HN -0.084 nan 8.290 nan 0.000 0.484 429 S N 1.155 116.989 115.700 0.223 0.000 2.558 429 S HA 0.061 4.522 4.470 -0.014 0.000 0.288 429 S C 1.138 175.968 174.600 0.384 0.000 1.318 429 S CA -0.254 58.112 58.200 0.276 0.000 1.056 429 S CB 0.545 63.865 63.200 0.200 0.000 0.853 429 S HN 0.369 nan 8.310 nan 0.000 0.505 430 L N 4.211 125.620 121.223 0.311 0.000 2.291 430 L HA 0.099 4.431 4.340 -0.014 0.000 0.214 430 L C 0.302 177.293 176.870 0.201 0.000 1.120 430 L CA 0.279 55.277 54.840 0.264 0.000 0.799 430 L CB -0.453 41.699 42.059 0.155 0.000 0.925 430 L HN 0.397 nan 8.230 nan 0.000 0.446 431 V N 0.861 120.901 119.914 0.210 0.000 2.364 431 V HA 0.158 4.270 4.120 -0.014 0.000 0.272 431 V C 0.093 176.287 176.094 0.166 0.000 1.036 431 V CA -0.548 61.865 62.300 0.188 0.000 0.880 431 V CB 1.264 33.231 31.823 0.239 0.000 0.991 431 V HN 0.173 nan 8.190 nan 0.000 0.460 432 E N 3.339 123.619 120.200 0.134 0.000 2.130 432 E HA 0.336 4.678 4.350 -0.014 0.000 0.284 432 E C -0.414 176.245 176.600 0.098 0.000 1.018 432 E CA -0.351 56.116 56.400 0.112 0.000 0.817 432 E CB 1.540 31.290 29.700 0.084 0.000 1.078 432 E HN 0.647 nan 8.360 nan 0.000 0.396 433 E N 1.306 121.559 120.200 0.090 0.000 2.342 433 E HA 0.613 4.955 4.350 -0.014 0.000 0.257 433 E C 0.144 176.783 176.600 0.064 0.000 1.150 433 E CA 0.401 56.846 56.400 0.075 0.000 0.926 433 E CB 1.265 31.003 29.700 0.063 0.000 1.074 433 E HN 0.609 nan 8.360 nan 0.000 0.449 434 G N -0.296 108.538 108.800 0.057 0.000 2.320 434 G HA2 0.255 4.207 3.960 -0.014 0.000 0.274 434 G HA3 0.255 4.207 3.960 -0.014 0.000 0.274 434 G C 0.355 175.285 174.900 0.050 0.000 1.324 434 G CA 0.147 45.276 45.100 0.049 0.000 0.957 434 G HN 0.643 nan 8.290 nan 0.000 0.481 435 A N -0.784 122.063 122.820 0.045 0.000 1.852 435 A HA 0.275 4.587 4.320 -0.014 0.000 0.217 435 A C 1.784 179.405 177.584 0.062 0.000 1.215 435 A CA 3.857 55.921 52.037 0.045 0.000 0.641 435 A CB -1.404 17.619 19.000 0.038 0.000 0.838 435 A HN 2.337 nan 8.150 nan 0.000 0.450 436 V N -2.850 117.110 119.914 0.077 0.000 2.481 436 V HA 0.505 4.617 4.120 -0.014 0.000 0.286 436 V C -0.171 175.986 176.094 0.106 0.000 1.042 436 V CA -1.289 61.079 62.300 0.114 0.000 0.928 436 V CB 1.283 33.197 31.823 0.151 0.000 0.986 436 V HN 0.334 nan 8.190 nan 0.000 0.462 437 K N 3.970 124.445 120.400 0.125 0.000 2.322 437 K HA 0.478 4.790 4.320 -0.014 0.000 0.283 437 K C -0.319 176.343 176.600 0.104 0.000 1.042 437 K CA -0.197 56.160 56.287 0.116 0.000 0.958 437 K CB 0.939 33.521 32.500 0.138 0.000 0.984 437 K HN 0.758 nan 8.250 nan 0.000 0.473 438 R N 1.990 122.543 120.500 0.088 0.000 2.854 438 R HA 0.484 4.816 4.340 -0.014 0.000 0.271 438 R C -0.481 175.864 176.300 0.075 0.000 0.994 438 R CA -1.032 55.108 56.100 0.068 0.000 0.945 438 R CB 1.315 31.636 30.300 0.035 0.000 1.194 438 R HN 0.368 nan 8.270 nan 0.000 0.476 439 I N 1.912 122.525 120.570 0.072 0.000 2.336 439 I HA 0.150 4.312 4.170 -0.014 0.000 0.292 439 I C -0.081 176.057 176.117 0.035 0.000 0.991 439 I CA -0.692 60.647 61.300 0.064 0.000 1.227 439 I CB 1.094 39.126 38.000 0.054 0.000 1.366 439 I HN 0.500 nan 8.210 nan 0.000 0.466 440 N N 7.055 125.754 118.700 -0.002 0.000 2.415 440 N HA 0.111 4.842 4.740 -0.014 0.000 0.246 440 N C 0.756 176.209 175.510 -0.095 0.000 1.078 440 N CA -0.333 52.648 53.050 -0.115 0.000 0.942 440 N CB 1.019 39.310 38.487 -0.327 0.000 1.140 440 N HN 0.380 nan 8.380 nan 0.000 0.501 441 M N 2.374 121.934 119.600 -0.067 0.000 2.319 441 M HA -0.029 4.443 4.480 -0.014 0.000 0.265 441 M C 1.892 178.079 176.300 -0.188 0.000 1.068 441 M CA 0.617 55.885 55.300 -0.054 0.000 1.118 441 M CB -1.483 31.146 32.600 0.048 0.000 1.395 441 M HN 0.597 nan 8.290 nan 0.000 0.435 442 A N -0.415 122.282 122.820 -0.205 0.000 1.930 442 A HA -0.163 4.148 4.320 -0.014 0.000 0.217 442 A C 1.964 179.321 177.584 -0.378 0.000 1.175 442 A CA 1.426 53.283 52.037 -0.301 0.000 0.627 442 A CB -1.087 17.929 19.000 0.027 0.000 0.815 442 A HN 0.590 nan 8.150 nan 0.000 0.443 443 H N -1.060 117.816 119.070 -0.323 0.000 2.357 443 H HA 0.001 4.548 4.556 -0.014 0.000 0.301 443 H C 2.114 177.239 175.328 -0.339 0.000 1.082 443 H CA 0.859 56.677 56.048 -0.383 0.000 1.342 443 H CB -0.051 29.689 29.762 -0.037 0.000 1.389 443 H HN 0.353 nan 8.280 nan 0.000 0.511 444 L N 0.434 121.594 121.223 -0.105 0.000 2.012 444 L HA -0.259 4.073 4.340 -0.014 0.000 0.210 444 L C 2.234 178.988 176.870 -0.193 0.000 1.073 444 L CA 1.430 56.203 54.840 -0.111 0.000 0.748 444 L CB -0.402 41.619 42.059 -0.064 0.000 0.891 444 L HN 0.473 nan 8.230 nan 0.000 0.431 445 C N -0.048 119.036 119.300 -0.361 0.000 2.429 445 C HA -0.176 4.276 4.460 -0.014 0.000 0.277 445 C C 2.653 177.415 174.990 -0.380 0.000 1.262 445 C CA 0.612 59.338 59.018 -0.485 0.000 1.733 445 C CB -0.773 26.290 27.740 -1.129 0.000 2.010 445 C HN 0.513 nan 8.230 nan 0.000 0.483 446 I N 1.523 121.823 120.570 -0.450 0.000 2.179 446 I HA -0.215 3.947 4.170 -0.014 0.000 0.242 446 I C 2.766 178.767 176.117 -0.193 0.000 1.088 446 I CA 1.695 62.779 61.300 -0.359 0.000 1.357 446 I CB -0.606 37.039 38.000 -0.592 0.000 1.051 446 I HN 0.275 nan 8.210 nan 0.000 0.409 447 A N 0.652 123.334 122.820 -0.230 0.000 1.933 447 A HA -0.107 4.204 4.320 -0.014 0.000 0.218 447 A C 2.259 179.927 177.584 0.141 0.000 1.175 447 A CA 1.915 53.879 52.037 -0.121 0.000 0.628 447 A CB -1.194 17.547 19.000 -0.431 0.000 0.814 447 A HN 0.485 nan 8.150 nan 0.000 0.444 448 G N -1.255 107.557 108.800 0.020 0.000 3.141 448 G HA2 0.393 4.345 3.960 -0.014 0.000 0.218 448 G HA3 0.393 4.345 3.960 -0.014 0.000 0.218 448 G C 0.198 174.956 174.900 -0.237 0.000 1.170 448 G CA 0.535 45.523 45.100 -0.188 0.000 0.769 448 G HN 0.368 nan 8.290 nan 0.000 0.546 449 S N -0.333 115.285 115.700 -0.137 0.000 2.532 449 S HA 0.328 4.790 4.470 -0.014 0.000 0.301 449 S C 0.771 175.333 174.600 -0.063 0.000 1.083 449 S CA -0.695 57.446 58.200 -0.099 0.000 1.025 449 S CB 1.293 64.436 63.200 -0.095 0.000 1.056 449 S HN 0.502 nan 8.310 nan 0.000 0.494 450 H N -0.094 118.950 119.070 -0.043 0.000 2.551 450 H HA 0.485 5.032 4.556 -0.014 0.000 0.266 450 H C 0.124 175.447 175.328 -0.007 0.000 0.964 450 H CA 0.286 56.334 56.048 0.001 0.000 1.180 450 H CB 0.146 29.921 29.762 0.023 0.000 1.408 450 H HN 0.511 nan 8.280 nan 0.000 0.563 451 A N 0.999 123.514 122.820 -0.509 0.000 2.488 451 A HA 0.560 4.872 4.320 -0.014 0.000 0.298 451 A C -1.426 175.957 177.584 -0.334 0.000 1.044 451 A CA -0.574 51.222 52.037 -0.403 0.000 0.693 451 A CB 2.251 20.982 19.000 -0.448 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.153 123.834 119.914 -0.390 0.000 2.577 452 V HA 0.528 4.640 4.120 -0.014 0.000 0.303 452 V C -0.750 175.155 176.094 -0.315 0.000 1.042 452 V CA -0.773 61.290 62.300 -0.395 0.000 0.872 452 V CB 1.822 33.259 31.823 -0.643 0.000 0.998 452 V HN 1.019 nan 8.190 nan 0.000 0.423 453 N N 3.129 121.667 118.700 -0.271 0.000 2.240 453 N HA 0.625 5.357 4.740 -0.014 0.000 0.302 453 N C -0.252 175.158 175.510 -0.166 0.000 1.106 453 N CA -0.372 52.562 53.050 -0.194 0.000 0.778 453 N CB 2.936 41.285 38.487 -0.231 0.000 1.431 453 N HN 0.635 nan 8.380 nan 0.000 0.479 454 G N -0.772 107.967 108.800 -0.101 0.000 2.531 454 G HA2 0.430 4.382 3.960 -0.014 0.000 0.313 454 G HA3 0.430 4.382 3.960 -0.014 0.000 0.313 454 G C 0.716 175.676 174.900 0.101 0.000 1.238 454 G CA -0.455 44.646 45.100 0.002 0.000 0.994 454 G HN 0.638 nan 8.290 nan 0.000 0.493 455 V N -3.968 116.117 119.914 0.285 0.000 3.380 455 V HA 0.705 4.817 4.120 -0.014 0.000 0.307 455 V C 0.528 176.698 176.094 0.126 0.000 1.434 455 V CA 0.421 62.801 62.300 0.132 0.000 1.075 455 V CB -0.670 31.178 31.823 0.041 0.000 0.954 455 V HN 1.349 nan 8.190 nan 0.000 0.444 456 A N 0.022 122.930 122.820 0.146 0.000 2.608 456 A HA 0.650 4.962 4.320 -0.014 0.000 0.292 456 A C 0.686 178.317 177.584 0.079 0.000 1.066 456 A CA -0.096 52.004 52.037 0.105 0.000 0.676 456 A CB 1.198 20.249 19.000 0.086 0.000 1.277 456 A HN 0.016 nan 8.150 nan 0.000 0.413 457 R N 0.642 121.168 120.500 0.043 0.000 2.091 457 R HA -0.137 4.195 4.340 -0.014 0.000 0.238 457 R C 1.616 177.912 176.300 -0.007 0.000 1.136 457 R CA 2.208 58.311 56.100 0.005 0.000 0.959 457 R CB -0.222 30.076 30.300 -0.002 0.000 0.856 457 R HN 0.814 nan 8.270 nan 0.000 0.437 458 I N 0.270 120.846 120.570 0.009 0.000 2.226 458 I HA -0.298 3.864 4.170 -0.014 0.000 0.245 458 I C 2.382 178.505 176.117 0.010 0.000 1.100 458 I CA 1.827 63.125 61.300 -0.004 0.000 1.374 458 I CB -0.244 37.753 38.000 -0.005 0.000 1.057 458 I HN 0.341 nan 8.210 nan 0.000 0.413 459 H N 0.383 119.422 119.070 -0.052 0.000 2.321 459 H HA -0.145 4.403 4.556 -0.014 0.000 0.300 459 H C 2.268 177.559 175.328 -0.062 0.000 1.087 459 H CA 2.271 58.283 56.048 -0.061 0.000 1.319 459 H CB -0.312 29.419 29.762 -0.051 0.000 1.379 459 H HN 0.247 nan 8.280 nan 0.000 0.501 460 S N 0.388 115.965 115.700 -0.205 0.000 2.382 460 S HA -0.131 4.330 4.470 -0.014 0.000 0.228 460 S C 1.914 176.392 174.600 -0.204 0.000 1.027 460 S CA 1.219 59.278 58.200 -0.235 0.000 0.991 460 S CB -0.079 63.055 63.200 -0.109 0.000 0.823 460 S HN 0.487 nan 8.310 nan 0.000 0.469 461 E N 1.202 121.306 120.200 -0.160 0.000 2.047 461 E HA -0.022 4.320 4.350 -0.014 0.000 0.191 461 E C 2.057 178.546 176.600 -0.186 0.000 0.987 461 E CA 0.700 56.998 56.400 -0.170 0.000 0.799 461 E CB -0.430 29.201 29.700 -0.116 0.000 0.752 461 E HN 0.503 nan 8.360 nan 0.000 0.449 462 I N 1.128 121.603 120.570 -0.159 0.000 2.208 462 I HA -0.295 3.866 4.170 -0.014 0.000 0.245 462 I C 2.461 178.454 176.117 -0.206 0.000 1.097 462 I CA 0.864 62.074 61.300 -0.151 0.000 1.363 462 I CB -0.280 37.661 38.000 -0.097 0.000 1.051 462 I HN 0.059 nan 8.210 nan 0.000 0.413 463 L N 0.367 121.426 121.223 -0.274 0.000 2.042 463 L HA -0.257 4.075 4.340 -0.014 0.000 0.210 463 L C 2.492 179.245 176.870 -0.195 0.000 1.076 463 L CA 1.673 56.355 54.840 -0.265 0.000 0.749 463 L CB -0.596 41.362 42.059 -0.167 0.000 0.893 463 L HN 0.236 nan 8.230 nan 0.000 0.432 464 K N -0.216 120.008 120.400 -0.293 0.000 2.228 464 K HA -0.093 4.218 4.320 -0.014 0.000 0.202 464 K C 2.007 178.428 176.600 -0.298 0.000 1.051 464 K CA 0.806 56.797 56.287 -0.493 0.000 0.960 464 K CB 0.086 32.040 32.500 -0.910 0.000 0.743 464 K HN 0.290 nan 8.250 nan 0.000 0.458 465 K N 0.039 120.313 120.400 -0.210 0.000 2.262 465 K HA -0.023 4.289 4.320 -0.014 0.000 0.200 465 K C 1.881 178.432 176.600 -0.081 0.000 1.049 465 K CA 1.364 57.577 56.287 -0.123 0.000 0.979 465 K CB 0.457 32.891 32.500 -0.110 0.000 0.773 465 K HN 0.246 nan 8.250 nan 0.000 0.474 466 T N -1.316 113.179 114.554 -0.098 0.000 3.257 466 T HA 0.068 4.409 4.350 -0.014 0.000 0.176 466 T C 1.899 176.562 174.700 -0.061 0.000 0.892 466 T CA -0.034 62.021 62.100 -0.075 0.000 1.147 466 T CB -0.755 68.060 68.868 -0.088 0.000 1.840 466 T HN 0.104 nan 8.240 nan 0.000 0.375 467 I N -0.871 119.603 120.570 -0.161 0.000 2.361 467 I HA 0.204 4.365 4.170 -0.014 0.000 0.251 467 I C 1.398 177.539 176.117 0.040 0.000 1.133 467 I CA 1.393 62.586 61.300 -0.178 0.000 1.413 467 I CB -0.608 37.140 38.000 -0.420 0.000 1.073 467 I HN 0.266 nan 8.210 nan 0.000 0.424 468 F N 0.821 120.858 119.950 0.145 0.000 2.735 468 F HA 0.335 4.853 4.527 -0.014 0.000 0.304 468 F C 1.990 177.889 175.800 0.164 0.000 1.119 468 F CA -0.671 57.487 58.000 0.263 0.000 1.280 468 F CB 0.166 39.316 39.000 0.251 0.000 0.994 468 F HN -0.085 nan 8.300 nan 0.000 0.520 469 K N 1.107 121.637 120.400 0.216 0.000 2.044 469 K HA -0.218 4.094 4.320 -0.014 0.000 0.210 469 K C 1.366 178.029 176.600 0.105 0.000 1.049 469 K CA 2.240 58.591 56.287 0.107 0.000 0.927 469 K CB -0.006 32.520 32.500 0.043 0.000 0.713 469 K HN 0.147 nan 8.250 nan 0.000 0.443 470 D N -0.132 120.309 120.400 0.069 0.000 2.123 470 D HA -0.167 4.465 4.640 -0.014 0.000 0.196 470 D C 1.819 178.044 176.300 -0.124 0.000 0.992 470 D CA 1.298 55.209 54.000 -0.148 0.000 0.833 470 D CB -0.312 40.301 40.800 -0.312 0.000 0.954 470 D HN 0.258 nan 8.370 nan 0.000 0.455 471 F N -0.244 119.786 119.950 0.133 0.000 2.206 471 F HA -0.129 4.390 4.527 -0.014 0.000 0.298 471 F C 2.341 178.275 175.800 0.224 0.000 1.090 471 F CA 0.443 58.599 58.000 0.259 0.000 1.323 471 F CB -0.631 38.599 39.000 0.382 0.000 1.028 471 F HN -0.040 nan 8.300 nan 0.000 0.492 472 Y N 1.335 121.588 120.300 -0.078 0.000 2.224 472 Y HA -0.181 4.361 4.550 -0.014 0.000 0.289 472 Y C 2.078 177.951 175.900 -0.046 0.000 1.146 472 Y CA 1.544 59.408 58.100 -0.393 0.000 1.182 472 Y CB -0.560 37.493 38.460 -0.678 0.000 0.983 472 Y HN 0.129 nan 8.280 nan 0.000 0.524 473 E N -0.466 119.671 120.200 -0.105 0.000 2.107 473 E HA -0.168 4.173 4.350 -0.014 0.000 0.191 473 E C 1.974 178.638 176.600 0.107 0.000 0.982 473 E CA 1.089 57.446 56.400 -0.073 0.000 0.809 473 E CB -0.226 29.457 29.700 -0.028 0.000 0.756 473 E HN 0.425 nan 8.360 nan 0.000 0.459 474 L N 0.956 122.282 121.223 0.170 0.000 2.044 474 L HA -0.052 4.280 4.340 -0.014 0.000 0.205 474 L C 0.186 177.142 176.870 0.144 0.000 1.075 474 L CA 1.689 56.665 54.840 0.227 0.000 0.747 474 L CB 0.370 42.557 42.059 0.214 0.000 0.903 474 L HN -0.103 nan 8.230 nan 0.000 0.435 475 E N -0.215 120.069 120.200 0.139 0.000 3.132 475 E HA 0.184 4.525 4.350 -0.014 0.000 0.241 475 E C -2.002 174.572 176.600 -0.044 0.000 1.196 475 E CA -1.244 55.159 56.400 0.004 0.000 0.869 475 E CB 0.855 30.543 29.700 -0.020 0.000 1.387 475 E HN 0.192 nan 8.360 nan 0.000 0.393 476 P HA -0.234 nan 4.420 nan 0.000 0.220 476 P C 1.198 178.621 177.300 0.204 0.000 1.148 476 P CA 1.315 64.341 63.100 -0.124 0.000 0.803 476 P CB -0.025 31.476 31.700 -0.332 0.000 0.782 477 H N 0.316 119.502 119.070 0.194 0.000 2.456 477 H HA 0.053 4.601 4.556 -0.014 0.000 0.296 477 H C 1.490 176.921 175.328 0.172 0.000 1.079 477 H CA 0.839 56.988 56.048 0.168 0.000 1.322 477 H CB -0.676 29.153 29.762 0.111 0.000 1.388 477 H HN 0.139 nan 8.280 nan 0.000 0.538 478 K N 0.308 120.618 120.400 -0.149 0.000 2.211 478 K HA 0.007 4.319 4.320 -0.014 0.000 0.203 478 K C -0.106 176.376 176.600 -0.197 0.000 1.050 478 K CA 0.428 56.611 56.287 -0.173 0.000 0.945 478 K CB 0.041 32.318 32.500 -0.372 0.000 0.732 478 K HN 0.113 nan 8.250 nan 0.000 0.451 479 F N 1.648 121.635 119.950 0.061 0.000 2.420 479 F HA 0.181 4.700 4.527 -0.014 0.000 0.352 479 F C 0.485 176.292 175.800 0.012 0.000 1.108 479 F CA -0.224 57.812 58.000 0.060 0.000 1.162 479 F CB 0.993 40.086 39.000 0.154 0.000 1.118 479 F HN -0.100 nan 8.300 nan 0.000 0.510 480 Q N 1.836 121.668 119.800 0.053 0.000 2.587 480 Q HA 0.356 4.687 4.340 -0.014 0.000 0.293 480 Q C -1.183 174.778 176.000 -0.065 0.000 1.083 480 Q CA -1.260 54.526 55.803 -0.028 0.000 0.792 480 Q CB 3.155 31.822 28.738 -0.118 0.000 1.484 480 Q HN 0.609 nan 8.270 nan 0.000 0.446 481 N N 0.745 119.388 118.700 -0.095 0.000 2.269 481 N HA 0.278 5.009 4.740 -0.014 0.000 0.304 481 N C -1.488 173.922 175.510 -0.166 0.000 1.072 481 N CA -0.385 52.605 53.050 -0.101 0.000 0.802 481 N CB 1.069 39.519 38.487 -0.062 0.000 1.348 481 N HN 0.298 nan 8.380 nan 0.000 0.484 482 K N 2.767 123.068 120.400 -0.164 0.000 2.675 482 K HA 0.187 4.499 4.320 -0.014 0.000 0.224 482 K C -0.930 175.674 176.600 0.007 0.000 1.003 482 K CA -0.503 55.665 56.287 -0.197 0.000 1.034 482 K CB 1.296 33.450 32.500 -0.577 0.000 1.218 482 K HN 0.536 nan 8.250 nan 0.000 0.507 483 T N 2.072 116.648 114.554 0.037 0.000 2.902 483 T HA 0.048 4.390 4.350 -0.014 0.000 0.301 483 T C 0.784 175.607 174.700 0.203 0.000 1.012 483 T CA 0.301 62.472 62.100 0.119 0.000 1.151 483 T CB 0.274 69.213 68.868 0.118 0.000 0.946 483 T HN 0.361 nan 8.240 nan 0.000 0.542 484 N N 0.604 119.444 118.700 0.234 0.000 2.267 484 N HA 0.394 5.126 4.740 -0.014 0.000 0.226 484 N C 0.486 176.177 175.510 0.301 0.000 1.314 484 N CA -0.130 53.091 53.050 0.285 0.000 0.887 484 N CB 0.374 38.967 38.487 0.177 0.000 1.120 484 N HN 0.769 nan 8.380 nan 0.000 0.440 485 G N -0.629 108.360 108.800 0.314 0.000 2.682 485 G HA2 0.608 4.560 3.960 -0.014 0.000 0.290 485 G HA3 0.608 4.560 3.960 -0.014 0.000 0.290 485 G C -1.404 173.625 174.900 0.216 0.000 1.425 485 G CA -0.750 44.518 45.100 0.281 0.000 0.807 485 G HN 0.595 nan 8.290 nan 0.000 0.482 486 I N -2.293 118.387 120.570 0.183 0.000 2.785 486 I HA 0.740 4.901 4.170 -0.014 0.000 0.302 486 I C -0.122 176.146 176.117 0.252 0.000 1.069 486 I CA -0.963 60.434 61.300 0.162 0.000 1.045 486 I CB 2.471 40.451 38.000 -0.032 0.000 1.236 486 I HN 0.462 nan 8.210 nan 0.000 0.429 487 T N 4.423 119.184 114.554 0.345 0.000 2.814 487 T HA 0.342 4.684 4.350 -0.014 0.000 0.297 487 T C -1.434 173.384 174.700 0.197 0.000 0.956 487 T CA -1.544 60.687 62.100 0.218 0.000 1.123 487 T CB 0.716 69.659 68.868 0.125 0.000 0.902 487 T HN 0.620 nan 8.240 nan 0.000 0.528 488 P HA 0.038 nan 4.420 nan 0.000 0.230 488 P C 1.106 178.372 177.300 -0.055 0.000 1.158 488 P CA 0.386 63.519 63.100 0.056 0.000 0.769 488 P CB 0.335 32.049 31.700 0.023 0.000 0.807 489 R N 0.300 120.723 120.500 -0.129 0.000 2.056 489 R HA 0.013 4.344 4.340 -0.014 0.000 0.227 489 R C 2.665 178.848 176.300 -0.196 0.000 1.149 489 R CA 1.503 57.488 56.100 -0.192 0.000 0.937 489 R CB -1.217 28.972 30.300 -0.185 0.000 0.835 489 R HN 0.043 nan 8.270 nan 0.000 0.430 490 R N -0.782 119.547 120.500 -0.285 0.000 2.081 490 R HA -0.131 4.201 4.340 -0.014 0.000 0.235 490 R C 1.115 177.066 176.300 -0.582 0.000 1.131 490 R CA 1.761 57.531 56.100 -0.550 0.000 0.960 490 R CB -0.173 29.604 30.300 -0.871 0.000 0.856 490 R HN 0.298 nan 8.270 nan 0.000 0.436 491 W N -0.494 120.760 121.300 -0.076 0.000 3.353 491 W HA 0.164 4.815 4.660 -0.015 0.000 0.304 491 W C 1.013 177.500 176.519 -0.053 0.000 1.273 491 W CA -0.678 56.621 57.345 -0.076 0.000 1.773 491 W CB 0.400 29.818 29.460 -0.070 0.000 1.095 491 W HN 0.218 nan 8.180 nan 0.000 0.676 492 L N -2.055 119.220 121.223 0.087 0.000 2.865 492 L HA 0.198 4.530 4.340 -0.014 0.000 0.167 492 L C 1.848 178.730 176.870 0.020 0.000 1.135 492 L CA 0.801 55.687 54.840 0.077 0.000 0.895 492 L CB -0.884 41.250 42.059 0.126 0.000 1.643 492 L HN -0.247 nan 8.230 nan 0.000 0.518 493 V N 1.089 120.994 119.914 -0.016 0.000 2.287 493 V HA -0.297 3.815 4.120 -0.014 0.000 0.248 493 V C 2.467 178.529 176.094 -0.053 0.000 1.053 493 V CA 2.540 64.819 62.300 -0.034 0.000 1.027 493 V CB -0.741 31.033 31.823 -0.082 0.000 0.646 493 V HN 0.519 nan 8.190 nan 0.000 0.447 494 L N 0.439 121.600 121.223 -0.104 0.000 2.005 494 L HA -0.185 4.147 4.340 -0.014 0.000 0.207 494 L C 2.494 179.292 176.870 -0.119 0.000 1.072 494 L CA 2.410 57.171 54.840 -0.131 0.000 0.744 494 L CB -0.271 41.660 42.059 -0.212 0.000 0.895 494 L HN 0.663 nan 8.230 nan 0.000 0.433 495 C N -1.826 117.397 119.300 -0.128 0.000 2.563 495 C HA 0.200 4.652 4.460 -0.014 0.000 0.268 495 C C 1.198 176.165 174.990 -0.038 0.000 1.365 495 C CA -0.296 58.664 59.018 -0.096 0.000 1.754 495 C CB -1.000 26.679 27.740 -0.102 0.000 1.932 495 C HN 0.586 nan 8.230 nan 0.000 0.536 496 N N 1.227 119.918 118.700 -0.016 0.000 2.733 496 N HA 0.297 5.029 4.740 -0.014 0.000 0.271 496 N C -1.799 173.720 175.510 0.015 0.000 1.720 496 N CA -1.643 51.411 53.050 0.006 0.000 0.803 496 N CB 0.822 39.323 38.487 0.023 0.000 1.208 496 N HN 0.243 nan 8.380 nan 0.000 0.498 497 P HA -0.037 nan 4.420 nan 0.000 0.217 497 P C 1.442 178.756 177.300 0.024 0.000 1.150 497 P CA 0.912 64.020 63.100 0.014 0.000 0.832 497 P CB 0.207 31.908 31.700 0.001 0.000 0.787 498 G N 0.724 109.534 108.800 0.016 0.000 2.476 498 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.218 498 G HA3 -0.271 3.681 3.960 -0.014 0.000 0.218 498 G C 1.530 176.439 174.900 0.016 0.000 1.164 498 G CA 0.875 45.982 45.100 0.013 0.000 0.768 498 G HN 0.262 nan 8.290 nan 0.000 0.560 499 L N 1.158 122.393 121.223 0.020 0.000 2.072 499 L HA 0.314 4.646 4.340 -0.014 0.000 0.205 499 L C 3.056 179.961 176.870 0.057 0.000 1.079 499 L CA 1.951 56.804 54.840 0.022 0.000 0.752 499 L CB -0.764 41.307 42.059 0.021 0.000 0.906 499 L HN 0.227 nan 8.230 nan 0.000 0.436 500 A N -0.755 122.118 122.820 0.088 0.000 1.940 500 A HA -0.247 4.065 4.320 -0.014 0.000 0.219 500 A C 2.241 179.922 177.584 0.161 0.000 1.176 500 A CA 1.823 53.962 52.037 0.170 0.000 0.631 500 A CB -0.624 18.466 19.000 0.149 0.000 0.814 500 A HN 0.537 nan 8.150 nan 0.000 0.446 501 E N 0.626 120.881 120.200 0.093 0.000 2.046 501 E HA -0.139 4.203 4.350 -0.014 0.000 0.190 501 E C 1.861 178.500 176.600 0.066 0.000 0.982 501 E CA 1.468 57.912 56.400 0.074 0.000 0.800 501 E CB -0.509 29.217 29.700 0.044 0.000 0.756 501 E HN 0.732 nan 8.360 nan 0.000 0.449 502 I N -1.652 118.955 120.570 0.061 0.000 2.454 502 I HA -0.140 4.022 4.170 -0.014 0.000 0.254 502 I C 2.036 178.224 176.117 0.117 0.000 1.156 502 I CA 1.116 62.468 61.300 0.086 0.000 1.433 502 I CB -0.306 37.734 38.000 0.067 0.000 1.082 502 I HN 0.023 nan 8.210 nan 0.000 0.432 503 I N 1.908 122.518 120.570 0.067 0.000 2.233 503 I HA -0.148 4.013 4.170 -0.014 0.000 0.243 503 I C 3.011 179.071 176.117 -0.095 0.000 1.093 503 I CA 1.228 62.481 61.300 -0.078 0.000 1.380 503 I CB -0.486 37.354 38.000 -0.267 0.000 1.067 503 I HN 0.283 nan 8.210 nan 0.000 0.413 504 A N 0.489 123.351 122.820 0.070 0.000 1.933 504 A HA -0.231 4.080 4.320 -0.014 0.000 0.218 504 A C 2.169 179.778 177.584 0.041 0.000 1.175 504 A CA 1.643 53.765 52.037 0.143 0.000 0.628 504 A CB -0.601 18.510 19.000 0.185 0.000 0.814 504 A HN 0.442 nan 8.150 nan 0.000 0.444 505 E N -0.603 119.604 120.200 0.012 0.000 2.097 505 E HA -0.220 4.121 4.350 -0.014 0.000 0.196 505 E C 2.276 178.837 176.600 -0.064 0.000 1.000 505 E CA 1.344 57.737 56.400 -0.012 0.000 0.804 505 E CB -0.100 29.601 29.700 0.002 0.000 0.740 505 E HN 0.499 nan 8.360 nan 0.000 0.454 506 R N 0.144 120.540 120.500 -0.173 0.000 2.090 506 R HA 0.054 4.385 4.340 -0.014 0.000 0.219 506 R C 2.346 178.540 176.300 -0.176 0.000 1.100 506 R CA 0.932 56.849 56.100 -0.306 0.000 0.991 506 R CB -0.263 29.503 30.300 -0.890 0.000 0.893 506 R HN 0.351 nan 8.270 nan 0.000 0.443 507 I N -3.263 117.218 120.570 -0.148 0.000 4.154 507 I HA 0.436 4.598 4.170 -0.014 0.000 0.334 507 I C 0.475 176.617 176.117 0.043 0.000 1.371 507 I CA 0.095 61.365 61.300 -0.050 0.000 1.110 507 I CB 0.882 38.830 38.000 -0.087 0.000 1.085 507 I HN 0.172 nan 8.210 nan 0.000 0.398 508 G N 2.059 110.897 108.800 0.063 0.000 2.698 508 G HA2 -0.226 3.726 3.960 -0.014 0.000 0.225 508 G HA3 -0.226 3.726 3.960 -0.014 0.000 0.225 508 G C -0.032 174.993 174.900 0.209 0.000 1.345 508 G CA 0.220 45.383 45.100 0.106 0.000 0.871 508 G HN 0.427 nan 8.290 nan 0.000 0.540 509 E N -0.351 119.926 120.200 0.129 0.000 2.476 509 E HA 0.086 4.428 4.350 -0.014 0.000 0.199 509 E C 1.948 178.506 176.600 -0.070 0.000 1.021 509 E CA 0.018 56.440 56.400 0.037 0.000 0.907 509 E CB 0.199 29.910 29.700 0.018 0.000 0.974 509 E HN 0.511 nan 8.360 nan 0.000 0.489 510 E N 0.426 120.653 120.200 0.046 0.000 2.209 510 E HA -0.201 4.141 4.350 -0.014 0.000 0.196 510 E C 1.739 178.338 176.600 -0.002 0.000 0.993 510 E CA 1.041 57.459 56.400 0.031 0.000 0.819 510 E CB -0.041 29.700 29.700 0.068 0.000 0.745 510 E HN 0.512 nan 8.360 nan 0.000 0.477 511 Y N -0.963 119.335 120.300 -0.003 0.000 2.421 511 Y HA -0.022 4.521 4.550 -0.012 0.000 0.292 511 Y C 1.920 177.791 175.900 -0.049 0.000 1.136 511 Y CA 0.449 58.538 58.100 -0.017 0.000 1.255 511 Y CB -0.732 37.721 38.460 -0.012 0.000 0.991 511 Y HN -0.094 nan 8.280 nan 0.000 0.552 512 I N 0.981 121.064 120.570 -0.811 0.000 2.335 512 I HA -0.253 3.909 4.170 -0.014 0.000 0.251 512 I C 1.670 177.514 176.117 -0.455 0.000 1.129 512 I CA 1.881 62.746 61.300 -0.726 0.000 1.402 512 I CB -0.375 37.116 38.000 -0.849 0.000 1.069 512 I HN 0.448 nan 8.210 nan 0.000 0.424 513 S N -1.948 113.591 115.700 -0.268 0.000 2.602 513 S HA 0.190 4.652 4.470 -0.014 0.000 0.240 513 S C 0.126 174.704 174.600 -0.036 0.000 0.992 513 S CA -0.460 57.669 58.200 -0.119 0.000 0.971 513 S CB 0.309 63.514 63.200 0.008 0.000 0.855 513 S HN 0.305 nan 8.310 nan 0.000 0.481 514 D N 0.598 120.985 120.400 -0.022 0.000 2.934 514 D HA 0.225 4.856 4.640 -0.014 0.000 0.249 514 D C 0.227 176.567 176.300 0.067 0.000 1.293 514 D CA -0.351 53.663 54.000 0.024 0.000 0.812 514 D CB 0.298 41.117 40.800 0.032 0.000 1.439 514 D HN 0.079 nan 8.370 nan 0.000 0.555 515 L N 1.184 122.446 121.223 0.066 0.000 2.362 515 L HA 0.043 4.375 4.340 -0.014 0.000 0.219 515 L C 1.450 178.371 176.870 0.085 0.000 1.134 515 L CA 1.411 56.321 54.840 0.116 0.000 0.807 515 L CB -0.041 42.081 42.059 0.104 0.000 0.927 515 L HN 0.267 nan 8.230 nan 0.000 0.447 516 D N -0.639 119.787 120.400 0.044 0.000 2.221 516 D HA -0.218 4.413 4.640 -0.014 0.000 0.204 516 D C 1.938 178.257 176.300 0.033 0.000 0.982 516 D CA 0.863 54.876 54.000 0.021 0.000 0.857 516 D CB 0.069 40.869 40.800 -0.000 0.000 0.934 516 D HN 0.542 nan 8.370 nan 0.000 0.475 517 Q N -0.017 119.819 119.800 0.060 0.000 2.291 517 Q HA -0.074 4.257 4.340 -0.014 0.000 0.206 517 Q C 2.333 178.346 176.000 0.021 0.000 0.976 517 Q CA 0.320 56.158 55.803 0.058 0.000 0.875 517 Q CB -0.036 28.765 28.738 0.105 0.000 0.927 517 Q HN 0.396 nan 8.270 nan 0.000 0.450 518 L N 0.290 121.518 121.223 0.009 0.000 2.349 518 L HA -0.213 4.119 4.340 -0.014 0.000 0.220 518 L C 2.339 179.196 176.870 -0.021 0.000 1.130 518 L CA 0.911 55.718 54.840 -0.056 0.000 0.791 518 L CB -0.388 41.651 42.059 -0.034 0.000 0.918 518 L HN 0.226 nan 8.230 nan 0.000 0.444 519 R N 0.448 120.950 120.500 0.004 0.000 2.105 519 R HA -0.206 4.125 4.340 -0.014 0.000 0.239 519 R C 2.146 178.454 176.300 0.013 0.000 1.135 519 R CA 1.349 57.455 56.100 0.011 0.000 0.967 519 R CB -0.261 30.044 30.300 0.008 0.000 0.861 519 R HN 0.361 nan 8.270 nan 0.000 0.442 520 K N 0.620 121.027 120.400 0.011 0.000 2.286 520 K HA -0.137 4.175 4.320 -0.014 0.000 0.203 520 K C 1.848 178.502 176.600 0.091 0.000 1.045 520 K CA 0.995 57.304 56.287 0.036 0.000 0.935 520 K CB -0.144 32.378 32.500 0.038 0.000 0.737 520 K HN 0.204 nan 8.250 nan 0.000 0.460 521 L N 0.328 121.569 121.223 0.031 0.000 2.362 521 L HA -0.138 4.194 4.340 -0.014 0.000 0.219 521 L C 1.746 178.683 176.870 0.113 0.000 1.134 521 L CA 0.081 54.942 54.840 0.035 0.000 0.807 521 L CB -0.277 41.749 42.059 -0.055 0.000 0.927 521 L HN 0.155 nan 8.230 nan 0.000 0.447 522 L N 0.150 121.412 121.223 0.066 0.000 2.079 522 L HA -0.193 4.138 4.340 -0.014 0.000 0.210 522 L C 2.732 179.604 176.870 0.003 0.000 1.081 522 L CA 2.038 56.903 54.840 0.042 0.000 0.752 522 L CB -1.028 41.041 42.059 0.017 0.000 0.896 522 L HN 0.367 nan 8.230 nan 0.000 0.433 523 S N -2.512 113.151 115.700 -0.061 0.000 2.660 523 S HA -0.101 4.361 4.470 -0.014 0.000 0.228 523 S C 1.158 175.504 174.600 -0.423 0.000 0.966 523 S CA 0.338 58.398 58.200 -0.234 0.000 0.940 523 S CB -0.600 62.415 63.200 -0.309 0.000 0.773 523 S HN 0.482 nan 8.310 nan 0.000 0.535 524 Y N -0.667 119.568 120.300 -0.108 0.000 2.557 524 Y HA 0.434 4.982 4.550 -0.003 0.000 0.247 524 Y C 1.871 177.802 175.900 0.052 0.000 1.164 524 Y CA -0.515 57.515 58.100 -0.116 0.000 1.218 524 Y CB 0.280 38.469 38.460 -0.452 0.000 1.210 524 Y HN 0.264 nan 8.280 nan 0.000 0.529 525 V N 0.372 120.374 119.914 0.146 0.000 2.626 525 V HA -0.193 3.919 4.120 -0.014 0.000 0.252 525 V C 1.017 177.180 176.094 0.115 0.000 1.067 525 V CA 2.172 64.561 62.300 0.147 0.000 1.081 525 V CB 0.016 31.889 31.823 0.083 0.000 0.686 525 V HN 0.350 nan 8.190 nan 0.000 0.468 526 D N -0.555 119.890 120.400 0.075 0.000 2.363 526 D HA 0.097 4.729 4.640 -0.014 0.000 0.214 526 D C 0.309 176.652 176.300 0.072 0.000 1.093 526 D CA 0.005 54.039 54.000 0.056 0.000 0.837 526 D CB 0.145 40.956 40.800 0.018 0.000 0.948 526 D HN 0.435 nan 8.370 nan 0.000 0.507 527 D N 1.506 121.982 120.400 0.127 0.000 2.336 527 D HA -0.014 4.618 4.640 -0.014 0.000 0.249 527 D C 1.103 177.505 176.300 0.169 0.000 1.213 527 D CA -0.053 54.041 54.000 0.157 0.000 0.870 527 D CB 1.578 42.532 40.800 0.256 0.000 1.076 527 D HN -0.190 nan 8.370 nan 0.000 0.483 528 E N 3.054 123.319 120.200 0.108 0.000 2.153 528 E HA -0.131 4.211 4.350 -0.014 0.000 0.194 528 E C 1.723 178.376 176.600 0.088 0.000 0.988 528 E CA 1.238 57.687 56.400 0.081 0.000 0.811 528 E CB 0.048 29.778 29.700 0.051 0.000 0.746 528 E HN 0.593 nan 8.360 nan 0.000 0.466 529 A N -0.315 122.575 122.820 0.116 0.000 1.873 529 A HA -0.130 4.182 4.320 -0.014 0.000 0.215 529 A C 2.193 179.867 177.584 0.150 0.000 1.186 529 A CA 1.238 53.343 52.037 0.114 0.000 0.616 529 A CB -0.937 18.134 19.000 0.119 0.000 0.823 529 A HN 0.433 nan 8.150 nan 0.000 0.442 530 F N 0.479 120.455 119.950 0.043 0.000 2.102 530 F HA -0.171 4.348 4.527 -0.013 0.000 0.298 530 F C 2.066 177.877 175.800 0.019 0.000 1.105 530 F CA 1.679 59.692 58.000 0.021 0.000 1.239 530 F CB -0.136 38.894 39.000 0.049 0.000 0.991 530 F HN 0.169 nan 8.300 nan 0.000 0.474 531 I N 0.370 120.962 120.570 0.038 0.000 2.118 531 I HA -0.398 3.764 4.170 -0.014 0.000 0.241 531 I C 2.617 178.675 176.117 -0.099 0.000 1.070 531 I CA 1.941 63.209 61.300 -0.052 0.000 1.327 531 I CB -0.598 37.421 38.000 0.031 0.000 1.034 531 I HN 0.132 nan 8.210 nan 0.000 0.405 532 R N 0.904 121.374 120.500 -0.049 0.000 2.091 532 R HA -0.214 4.118 4.340 -0.014 0.000 0.238 532 R C 1.847 178.094 176.300 -0.087 0.000 1.136 532 R CA 2.149 58.219 56.100 -0.050 0.000 0.959 532 R CB -0.221 30.069 30.300 -0.016 0.000 0.856 532 R HN 0.300 nan 8.270 nan 0.000 0.437 533 D N -0.120 120.206 120.400 -0.123 0.000 2.097 533 D HA -0.107 4.525 4.640 -0.014 0.000 0.197 533 D C 2.025 178.191 176.300 -0.222 0.000 0.984 533 D CA 1.328 55.241 54.000 -0.146 0.000 0.826 533 D CB -0.268 40.464 40.800 -0.115 0.000 0.973 533 D HN 0.084 nan 8.370 nan 0.000 0.460 534 V N 1.635 121.309 119.914 -0.400 0.000 2.252 534 V HA -0.303 3.809 4.120 -0.014 0.000 0.249 534 V C 2.535 178.532 176.094 -0.162 0.000 1.056 534 V CA 2.158 64.246 62.300 -0.353 0.000 1.022 534 V CB -0.913 30.629 31.823 -0.468 0.000 0.641 534 V HN 0.212 nan 8.190 nan 0.000 0.445 535 A N -0.801 121.945 122.820 -0.123 0.000 1.972 535 A HA -0.250 4.062 4.320 -0.014 0.000 0.219 535 A C 2.361 179.908 177.584 -0.062 0.000 1.169 535 A CA 2.081 54.081 52.037 -0.062 0.000 0.635 535 A CB -0.472 18.496 19.000 -0.054 0.000 0.810 535 A HN 0.547 nan 8.150 nan 0.000 0.446 536 K N -0.230 120.128 120.400 -0.071 0.000 2.057 536 K HA -0.060 4.252 4.320 -0.014 0.000 0.206 536 K C 1.820 178.394 176.600 -0.044 0.000 1.050 536 K CA 1.447 57.702 56.287 -0.053 0.000 0.935 536 K CB -0.232 32.239 32.500 -0.048 0.000 0.715 536 K HN 0.230 nan 8.250 nan 0.000 0.439 537 V N 1.834 121.716 119.914 -0.053 0.000 2.343 537 V HA -0.245 3.866 4.120 -0.014 0.000 0.247 537 V C 2.386 178.467 176.094 -0.022 0.000 1.051 537 V CA 1.941 64.219 62.300 -0.036 0.000 1.036 537 V CB -0.447 31.349 31.823 -0.045 0.000 0.654 537 V HN 0.339 nan 8.190 nan 0.000 0.451 538 K N 0.443 120.828 120.400 -0.025 0.000 2.026 538 K HA -0.231 4.081 4.320 -0.014 0.000 0.208 538 K C 2.185 178.762 176.600 -0.038 0.000 1.048 538 K CA 1.850 58.129 56.287 -0.013 0.000 0.929 538 K CB -0.560 31.947 32.500 0.012 0.000 0.713 538 K HN 0.373 nan 8.250 nan 0.000 0.439 539 Q N 1.009 120.779 119.800 -0.050 0.000 2.096 539 Q HA -0.133 4.199 4.340 -0.014 0.000 0.204 539 Q C 1.708 177.690 176.000 -0.030 0.000 0.982 539 Q CA 2.028 57.793 55.803 -0.064 0.000 0.850 539 Q CB -0.119 28.584 28.738 -0.058 0.000 0.901 539 Q HN 0.513 nan 8.270 nan 0.000 0.422 540 E N -0.523 119.671 120.200 -0.010 0.000 2.077 540 E HA -0.171 4.170 4.350 -0.014 0.000 0.193 540 E C 1.775 178.400 176.600 0.042 0.000 0.989 540 E CA 1.048 57.456 56.400 0.015 0.000 0.800 540 E CB -0.098 29.608 29.700 0.010 0.000 0.746 540 E HN 0.410 nan 8.360 nan 0.000 0.452 541 N N 0.972 119.694 118.700 0.037 0.000 2.120 541 N HA -0.145 4.587 4.740 -0.014 0.000 0.188 541 N C 1.516 177.108 175.510 0.138 0.000 1.024 541 N CA 1.105 54.199 53.050 0.072 0.000 0.852 541 N CB -0.103 38.411 38.487 0.046 0.000 1.003 541 N HN 0.138 nan 8.380 nan 0.000 0.424 542 K N 0.500 120.942 120.400 0.070 0.000 2.057 542 K HA 0.033 4.345 4.320 -0.014 0.000 0.206 542 K C 2.120 178.844 176.600 0.208 0.000 1.050 542 K CA 0.590 56.928 56.287 0.084 0.000 0.935 542 K CB -0.141 32.137 32.500 -0.370 0.000 0.715 542 K HN 0.101 nan 8.250 nan 0.000 0.439 543 L N 1.265 122.555 121.223 0.112 0.000 2.017 543 L HA -0.201 4.131 4.340 -0.014 0.000 0.208 543 L C 2.631 179.600 176.870 0.164 0.000 1.073 543 L CA 1.336 56.250 54.840 0.125 0.000 0.745 543 L CB -0.334 41.767 42.059 0.070 0.000 0.894 543 L HN 0.166 nan 8.230 nan 0.000 0.432 544 K N -0.261 120.238 120.400 0.165 0.000 2.057 544 K HA -0.244 4.068 4.320 -0.014 0.000 0.207 544 K C 2.190 178.945 176.600 0.259 0.000 1.049 544 K CA 1.651 58.044 56.287 0.176 0.000 0.931 544 K CB -0.160 32.426 32.500 0.143 0.000 0.714 544 K HN 0.102 nan 8.250 nan 0.000 0.440 545 F N 1.072 121.129 119.950 0.179 0.000 2.206 545 F HA 0.008 4.527 4.527 -0.014 0.000 0.298 545 F C 2.001 177.966 175.800 0.276 0.000 1.090 545 F CA 1.112 59.252 58.000 0.234 0.000 1.323 545 F CB -0.349 38.793 39.000 0.237 0.000 1.028 545 F HN 0.079 nan 8.300 nan 0.000 0.492 546 A N 0.205 123.201 122.820 0.293 0.000 1.972 546 A HA -0.067 4.245 4.320 -0.014 0.000 0.219 546 A C 2.378 180.000 177.584 0.063 0.000 1.169 546 A CA 1.717 53.857 52.037 0.171 0.000 0.635 546 A CB -1.420 17.744 19.000 0.273 0.000 0.810 546 A HN 0.450 nan 8.150 nan 0.000 0.446 547 A N -1.510 121.366 122.820 0.093 0.000 1.897 547 A HA -0.048 4.264 4.320 -0.014 0.000 0.215 547 A C 2.108 179.707 177.584 0.024 0.000 1.181 547 A CA 1.439 53.514 52.037 0.064 0.000 0.620 547 A CB -0.843 18.209 19.000 0.087 0.000 0.821 547 A HN 0.735 nan 8.150 nan 0.000 0.443 548 Y N 0.620 120.864 120.300 -0.094 0.000 2.151 548 Y HA -0.231 4.311 4.550 -0.014 0.000 0.284 548 Y C 1.950 177.741 175.900 -0.182 0.000 1.166 548 Y CA 1.992 60.009 58.100 -0.139 0.000 1.163 548 Y CB -0.234 38.133 38.460 -0.154 0.000 0.974 548 Y HN 0.222 nan 8.280 nan 0.000 0.511 549 L N 0.040 121.072 121.223 -0.319 0.000 2.046 549 L HA -0.218 4.114 4.340 -0.014 0.000 0.208 549 L C 2.432 179.166 176.870 -0.225 0.000 1.077 549 L CA 1.794 56.452 54.840 -0.303 0.000 0.747 549 L CB -0.544 41.339 42.059 -0.294 0.000 0.896 549 L HN 0.338 nan 8.230 nan 0.000 0.432 550 E N -0.272 119.823 120.200 -0.176 0.000 2.072 550 E HA -0.211 4.131 4.350 -0.014 0.000 0.191 550 E C 2.346 178.853 176.600 -0.154 0.000 0.985 550 E CA 1.015 57.322 56.400 -0.156 0.000 0.801 550 E CB 0.028 29.716 29.700 -0.020 0.000 0.750 550 E HN 0.412 nan 8.360 nan 0.000 0.452 551 R N 0.603 121.002 120.500 -0.169 0.000 2.055 551 R HA -0.097 4.235 4.340 -0.014 0.000 0.228 551 R C 2.002 178.139 176.300 -0.271 0.000 1.143 551 R CA 1.195 57.193 56.100 -0.169 0.000 0.945 551 R CB -0.003 30.223 30.300 -0.124 0.000 0.841 551 R HN -0.041 nan 8.270 nan 0.000 0.429 552 E N -1.465 118.446 120.200 -0.481 0.000 2.447 552 E HA -0.006 4.335 4.350 -0.014 0.000 0.195 552 E C 0.032 176.115 176.600 -0.862 0.000 1.028 552 E CA 0.654 56.633 56.400 -0.702 0.000 0.876 552 E CB 0.520 29.620 29.700 -1.000 0.000 0.885 552 E HN 0.338 nan 8.360 nan 0.000 0.500 553 Y N -0.744 119.377 120.300 -0.297 0.000 2.666 553 Y HA 0.246 4.788 4.550 -0.014 0.000 0.260 553 Y C -0.001 175.784 175.900 -0.191 0.000 1.089 553 Y CA -0.667 57.307 58.100 -0.210 0.000 1.246 553 Y CB 0.826 39.158 38.460 -0.214 0.000 1.353 553 Y HN -0.273 nan 8.280 nan 0.000 0.558 554 K N 0.584 120.915 120.400 -0.114 0.000 3.035 554 K HA -0.136 4.176 4.320 -0.014 0.000 0.262 554 K C -0.444 175.953 176.600 -0.340 0.000 1.024 554 K CA 0.921 57.100 56.287 -0.180 0.000 0.748 554 K CB -2.212 30.238 32.500 -0.083 0.000 1.247 554 K HN 0.273 nan 8.250 nan 0.000 0.482 555 V N -2.440 117.254 119.914 -0.367 0.000 2.628 555 V HA 0.600 4.712 4.120 -0.014 0.000 0.306 555 V C 0.024 175.848 176.094 -0.449 0.000 1.045 555 V CA -0.976 61.091 62.300 -0.388 0.000 0.905 555 V CB 1.879 33.600 31.823 -0.170 0.000 0.997 555 V HN 0.294 nan 8.190 nan 0.000 0.436 556 H N 4.880 123.941 119.070 -0.015 0.000 2.511 556 H HA 0.786 5.334 4.556 -0.014 0.000 0.328 556 H C -0.081 175.244 175.328 -0.005 0.000 1.044 556 H CA -0.365 55.680 56.048 -0.005 0.000 1.212 556 H CB 1.623 31.387 29.762 0.004 0.000 1.428 556 H HN 0.946 nan 8.280 nan 0.000 0.483 557 I N -0.489 120.150 120.570 0.115 0.000 2.785 557 I HA 0.486 4.648 4.170 -0.014 0.000 0.302 557 I C -0.402 175.803 176.117 0.147 0.000 1.069 557 I CA -1.349 60.007 61.300 0.094 0.000 1.045 557 I CB 2.154 40.176 38.000 0.037 0.000 1.236 557 I HN 0.344 nan 8.210 nan 0.000 0.429 558 N N 4.872 123.661 118.700 0.147 0.000 2.401 558 N HA 0.366 5.098 4.740 -0.014 0.000 0.255 558 N C -1.999 173.657 175.510 0.243 0.000 1.110 558 N CA -2.268 50.874 53.050 0.153 0.000 0.949 558 N CB 0.963 39.512 38.487 0.103 0.000 1.110 558 N HN 0.388 nan 8.380 nan 0.000 0.490 559 P HA 0.069 nan 4.420 nan 0.000 0.237 559 P C -0.034 177.247 177.300 -0.032 0.000 1.178 559 P CA 0.847 64.027 63.100 0.134 0.000 0.766 559 P CB 0.258 32.017 31.700 0.098 0.000 0.876 560 N N -1.040 117.679 118.700 0.031 0.000 2.422 560 N HA -0.015 4.717 4.740 -0.014 0.000 0.181 560 N C 0.453 175.992 175.510 0.048 0.000 1.080 560 N CA -0.003 53.056 53.050 0.014 0.000 0.893 560 N CB -0.013 38.494 38.487 0.033 0.000 0.973 560 N HN 0.120 nan 8.380 nan 0.000 0.456 561 S N 0.279 116.024 115.700 0.074 0.000 2.593 561 S HA 0.114 4.575 4.470 -0.014 0.000 0.269 561 S C 0.122 174.697 174.600 -0.042 0.000 1.334 561 S CA -0.848 57.384 58.200 0.054 0.000 1.015 561 S CB 0.867 64.132 63.200 0.108 0.000 0.912 561 S HN 0.218 nan 8.310 nan 0.000 0.541 562 L N 2.310 123.346 121.223 -0.311 0.000 2.410 562 L HA 0.347 4.678 4.340 -0.014 0.000 0.273 562 L C -0.788 176.068 176.870 -0.022 0.000 1.144 562 L CA -0.467 54.009 54.840 -0.608 0.000 0.863 562 L CB -0.197 41.205 42.059 -1.096 0.000 1.140 562 L HN 0.715 nan 8.230 nan 0.000 0.463 563 F N 4.328 124.150 119.950 -0.213 0.000 2.405 563 F HA 0.106 4.625 4.527 -0.013 0.000 0.358 563 F C 0.402 176.141 175.800 -0.102 0.000 1.151 563 F CA -0.840 57.102 58.000 -0.096 0.000 1.161 563 F CB 0.537 39.525 39.000 -0.019 0.000 1.245 563 F HN 0.529 nan 8.300 nan 0.000 0.545 564 D N 4.842 125.248 120.400 0.011 0.000 2.396 564 D HA 0.241 4.873 4.640 -0.014 0.000 0.225 564 D C -1.104 175.143 176.300 -0.088 0.000 1.121 564 D CA -0.072 53.893 54.000 -0.059 0.000 0.853 564 D CB 1.481 42.232 40.800 -0.082 0.000 1.043 564 D HN 0.268 nan 8.370 nan 0.000 0.500 565 V N 3.443 123.287 119.914 -0.117 0.000 2.588 565 V HA 0.535 4.647 4.120 -0.014 0.000 0.304 565 V C -1.483 174.468 176.094 -0.238 0.000 1.042 565 V CA -0.654 61.560 62.300 -0.142 0.000 0.877 565 V CB 1.832 33.627 31.823 -0.047 0.000 0.996 565 V HN 0.551 nan 8.190 nan 0.000 0.425 566 Q N 4.858 124.536 119.800 -0.204 0.000 2.394 566 Q HA 0.679 5.011 4.340 -0.014 0.000 0.261 566 Q C -1.442 174.403 176.000 -0.258 0.000 1.023 566 Q CA -0.641 55.028 55.803 -0.223 0.000 0.720 566 Q CB 1.865 30.498 28.738 -0.176 0.000 1.241 566 Q HN 1.098 nan 8.270 nan 0.000 0.483 567 V N 2.184 121.937 119.914 -0.268 0.000 2.487 567 V HA 0.868 4.980 4.120 -0.014 0.000 0.298 567 V C -0.867 174.957 176.094 -0.450 0.000 1.028 567 V CA -0.580 61.381 62.300 -0.565 0.000 0.860 567 V CB 1.358 32.629 31.823 -0.919 0.000 0.991 567 V HN 0.828 nan 8.190 nan 0.000 0.427 568 K N 2.644 122.800 120.400 -0.407 0.000 3.138 568 K HA 0.311 4.623 4.320 -0.014 0.000 0.309 568 K C -1.123 175.460 176.600 -0.029 0.000 1.090 568 K CA -1.043 55.189 56.287 -0.092 0.000 0.816 568 K CB 1.044 33.490 32.500 -0.090 0.000 1.476 568 K HN 0.663 nan 8.250 nan 0.000 0.380 569 R N 0.665 121.195 120.500 0.050 0.000 2.638 569 R HA 0.117 4.449 4.340 -0.014 0.000 0.268 569 R C 0.376 176.690 176.300 0.023 0.000 1.006 569 R CA -0.281 55.867 56.100 0.079 0.000 1.088 569 R CB 0.004 30.370 30.300 0.109 0.000 0.950 569 R HN 0.312 nan 8.270 nan 0.000 0.419 570 I N 4.348 124.950 120.570 0.053 0.000 2.421 570 I HA 0.056 4.218 4.170 -0.014 0.000 0.291 570 I C 0.516 176.629 176.117 -0.007 0.000 1.089 570 I CA 0.698 61.992 61.300 -0.011 0.000 1.354 570 I CB -0.548 37.441 38.000 -0.019 0.000 1.413 570 I HN 0.543 nan 8.210 nan 0.000 0.513 571 H N 5.110 124.089 119.070 -0.151 0.000 3.012 571 H HA 0.246 4.794 4.556 -0.014 0.000 0.367 571 H C 0.431 175.655 175.328 -0.174 0.000 1.211 571 H CA -0.397 55.608 56.048 -0.072 0.000 1.139 571 H CB 1.982 31.705 29.762 -0.064 0.000 1.838 571 H HN 0.559 nan 8.280 nan 0.000 0.550 572 E N 1.756 121.937 120.200 -0.031 0.000 2.160 572 E HA -0.229 4.113 4.350 -0.014 0.000 0.195 572 E C 1.333 177.756 176.600 -0.293 0.000 0.991 572 E CA 1.735 58.132 56.400 -0.005 0.000 0.810 572 E CB -0.024 29.833 29.700 0.262 0.000 0.742 572 E HN 0.557 nan 8.360 nan 0.000 0.466 573 Y N 0.478 120.430 120.300 -0.579 0.000 2.373 573 Y HA 0.027 4.569 4.550 -0.014 0.000 0.293 573 Y C 1.489 177.147 175.900 -0.403 0.000 1.129 573 Y CA 0.760 58.249 58.100 -1.018 0.000 1.226 573 Y CB -0.063 37.766 38.460 -1.053 0.000 1.000 573 Y HN -0.220 nan 8.280 nan 0.000 0.549 574 K N 0.785 120.755 120.400 -0.717 0.000 2.432 574 K HA 0.059 4.371 4.320 -0.014 0.000 0.196 574 K C 0.122 176.560 176.600 -0.270 0.000 1.038 574 K CA 0.487 56.456 56.287 -0.531 0.000 0.986 574 K CB -0.057 32.111 32.500 -0.553 0.000 0.782 574 K HN 0.262 nan 8.250 nan 0.000 0.485 575 R N 0.415 120.787 120.500 -0.213 0.000 3.422 575 R HA -0.236 4.096 4.340 -0.014 0.000 0.267 575 R C 0.304 176.530 176.300 -0.123 0.000 1.074 575 R CA 0.247 56.270 56.100 -0.129 0.000 0.718 575 R CB -1.873 28.366 30.300 -0.100 0.000 1.157 575 R HN 0.310 nan 8.270 nan 0.000 0.440 576 Q N 0.311 120.036 119.800 -0.124 0.000 2.248 576 Q HA -0.094 4.237 4.340 -0.014 0.000 0.208 576 Q C 2.049 178.004 176.000 -0.075 0.000 0.984 576 Q CA 1.572 57.316 55.803 -0.099 0.000 0.875 576 Q CB -0.016 28.668 28.738 -0.091 0.000 0.910 576 Q HN 0.587 nan 8.270 nan 0.000 0.433 577 L N -0.714 120.468 121.223 -0.068 0.000 2.093 577 L HA -0.170 4.162 4.340 -0.014 0.000 0.208 577 L C 2.025 178.899 176.870 0.006 0.000 1.085 577 L CA 0.503 55.316 54.840 -0.044 0.000 0.755 577 L CB -0.358 41.684 42.059 -0.028 0.000 0.904 577 L HN 0.304 nan 8.230 nan 0.000 0.435 578 L N 0.158 121.380 121.223 -0.002 0.000 2.042 578 L HA -0.260 4.072 4.340 -0.014 0.000 0.210 578 L C 2.033 178.960 176.870 0.095 0.000 1.076 578 L CA 1.940 56.790 54.840 0.016 0.000 0.749 578 L CB -0.833 41.129 42.059 -0.162 0.000 0.893 578 L HN 0.293 nan 8.230 nan 0.000 0.432 579 N N -1.754 116.968 118.700 0.038 0.000 2.084 579 N HA -0.234 4.498 4.740 -0.014 0.000 0.190 579 N C 1.948 177.539 175.510 0.135 0.000 1.030 579 N CA 1.601 54.748 53.050 0.161 0.000 0.849 579 N CB -0.141 38.373 38.487 0.045 0.000 1.012 579 N HN 0.488 nan 8.380 nan 0.000 0.423 580 C N 0.522 119.838 119.300 0.027 0.000 2.413 580 C HA -0.077 4.374 4.460 -0.014 0.000 0.277 580 C C 2.573 177.548 174.990 -0.024 0.000 1.265 580 C CA 0.414 59.399 59.018 -0.055 0.000 1.752 580 C CB -1.227 26.430 27.740 -0.138 0.000 1.998 580 C HN 0.503 nan 8.230 nan 0.000 0.489 581 L N -0.511 120.762 121.223 0.083 0.000 2.056 581 L HA -0.174 4.157 4.340 -0.014 0.000 0.207 581 L C 2.773 179.787 176.870 0.239 0.000 1.078 581 L CA 1.684 56.619 54.840 0.158 0.000 0.749 581 L CB -1.018 41.201 42.059 0.268 0.000 0.901 581 L HN 0.573 nan 8.230 nan 0.000 0.433 582 H N 0.058 119.231 119.070 0.171 0.000 2.321 582 H HA -0.149 4.399 4.556 -0.014 0.000 0.300 582 H C 2.240 177.553 175.328 -0.025 0.000 1.087 582 H CA 2.053 58.113 56.048 0.021 0.000 1.319 582 H CB 0.262 29.959 29.762 -0.109 0.000 1.379 582 H HN 0.086 nan 8.280 nan 0.000 0.501 583 V N 1.635 121.453 119.914 -0.161 0.000 2.282 583 V HA -0.295 3.817 4.120 -0.014 0.000 0.249 583 V C 2.872 178.887 176.094 -0.133 0.000 1.057 583 V CA 2.058 64.235 62.300 -0.206 0.000 1.032 583 V CB -0.562 31.192 31.823 -0.116 0.000 0.645 583 V HN 0.397 nan 8.190 nan 0.000 0.447 584 I N -0.264 120.263 120.570 -0.072 0.000 2.315 584 I HA -0.215 3.947 4.170 -0.014 0.000 0.248 584 I C 2.495 178.653 176.117 0.068 0.000 1.117 584 I CA 1.690 63.011 61.300 0.035 0.000 1.404 584 I CB -0.666 37.325 38.000 -0.015 0.000 1.071 584 I HN 0.331 nan 8.210 nan 0.000 0.419 585 T N 1.187 115.740 114.554 -0.001 0.000 2.708 585 T HA -0.151 4.191 4.350 -0.014 0.000 0.266 585 T C 1.874 176.523 174.700 -0.084 0.000 1.037 585 T CA 1.205 63.299 62.100 -0.009 0.000 1.146 585 T CB -0.238 68.650 68.868 0.033 0.000 0.865 585 T HN 0.077 nan 8.240 nan 0.000 0.435 586 L N 0.130 121.237 121.223 -0.194 0.000 2.046 586 L HA -0.015 4.316 4.340 -0.014 0.000 0.208 586 L C 2.102 178.928 176.870 -0.074 0.000 1.077 586 L CA 1.566 56.291 54.840 -0.191 0.000 0.747 586 L CB -1.089 40.788 42.059 -0.305 0.000 0.896 586 L HN 0.362 nan 8.230 nan 0.000 0.432 587 Y N 0.254 120.486 120.300 -0.113 0.000 2.145 587 Y HA -0.290 4.252 4.550 -0.014 0.000 0.286 587 Y C 2.414 178.290 175.900 -0.041 0.000 1.145 587 Y CA 1.869 59.941 58.100 -0.047 0.000 1.148 587 Y CB -0.092 38.383 38.460 0.025 0.000 0.981 587 Y HN 0.282 nan 8.280 nan 0.000 0.507 588 N N 0.362 119.009 118.700 -0.088 0.000 2.244 588 N HA -0.119 4.613 4.740 -0.014 0.000 0.183 588 N C 1.809 177.210 175.510 -0.182 0.000 1.016 588 N CA 1.335 54.278 53.050 -0.178 0.000 0.866 588 N CB -0.320 38.123 38.487 -0.074 0.000 0.980 588 N HN 0.445 nan 8.380 nan 0.000 0.430 589 R N 0.324 120.740 120.500 -0.139 0.000 2.092 589 R HA 0.101 4.433 4.340 -0.014 0.000 0.231 589 R C 2.185 178.398 176.300 -0.144 0.000 1.119 589 R CA 0.676 56.701 56.100 -0.124 0.000 0.970 589 R CB -0.193 30.044 30.300 -0.104 0.000 0.864 589 R HN 0.214 nan 8.270 nan 0.000 0.440 590 I N 0.992 121.455 120.570 -0.178 0.000 2.179 590 I HA -0.278 3.884 4.170 -0.014 0.000 0.242 590 I C 2.093 178.088 176.117 -0.202 0.000 1.088 590 I CA 1.254 62.448 61.300 -0.177 0.000 1.357 590 I CB -0.157 37.742 38.000 -0.167 0.000 1.051 590 I HN 0.017 nan 8.210 nan 0.000 0.409 591 K N 0.739 120.949 120.400 -0.316 0.000 2.209 591 K HA -0.200 4.111 4.320 -0.014 0.000 0.204 591 K C 2.001 178.501 176.600 -0.166 0.000 1.048 591 K CA 1.149 57.269 56.287 -0.278 0.000 0.940 591 K CB -0.251 32.003 32.500 -0.410 0.000 0.729 591 K HN 0.344 nan 8.250 nan 0.000 0.451 592 K N 1.033 121.343 120.400 -0.151 0.000 2.076 592 K HA -0.055 4.257 4.320 -0.014 0.000 0.204 592 K C 0.132 176.686 176.600 -0.077 0.000 1.051 592 K CA 0.939 57.165 56.287 -0.102 0.000 0.949 592 K CB 0.379 32.822 32.500 -0.094 0.000 0.726 592 K HN 0.044 nan 8.250 nan 0.000 0.443 593 E N 0.301 120.454 120.200 -0.079 0.000 3.303 593 E HA 0.118 4.460 4.350 -0.014 0.000 0.215 593 E C -2.308 174.258 176.600 -0.057 0.000 1.181 593 E CA -1.610 54.757 56.400 -0.056 0.000 0.998 593 E CB 1.642 31.315 29.700 -0.045 0.000 1.312 593 E HN 0.140 nan 8.360 nan 0.000 0.412 594 P HA -0.118 nan 4.420 nan 0.000 0.220 594 P C 0.241 177.522 177.300 -0.030 0.000 1.148 594 P CA 1.156 64.223 63.100 -0.054 0.000 0.803 594 P CB 0.222 31.894 31.700 -0.046 0.000 0.782 595 N N -1.355 117.336 118.700 -0.015 0.000 2.268 595 N HA 0.019 4.751 4.740 -0.014 0.000 0.204 595 N C 0.535 176.061 175.510 0.027 0.000 1.124 595 N CA -0.132 52.922 53.050 0.008 0.000 0.838 595 N CB 0.123 38.615 38.487 0.007 0.000 0.994 595 N HN -0.016 nan 8.380 nan 0.000 0.489 596 K N 1.088 121.498 120.400 0.015 0.000 2.144 596 K HA 0.140 4.452 4.320 -0.014 0.000 0.270 596 K C -0.920 175.721 176.600 0.067 0.000 1.005 596 K CA -0.479 55.832 56.287 0.040 0.000 0.932 596 K CB 0.603 33.106 32.500 0.006 0.000 1.021 596 K HN -0.048 nan 8.250 nan 0.000 0.462 597 F N 4.315 124.251 119.950 -0.023 0.000 2.427 597 F HA 0.254 4.773 4.527 -0.014 0.000 0.352 597 F C -0.452 175.334 175.800 -0.025 0.000 1.100 597 F CA -0.300 57.688 58.000 -0.021 0.000 1.191 597 F CB 0.689 39.679 39.000 -0.016 0.000 1.128 597 F HN 0.172 nan 8.300 nan 0.000 0.533 598 V N 4.195 123.551 119.914 -0.930 0.000 2.789 598 V HA 0.524 4.636 4.120 -0.014 0.000 0.311 598 V C -0.668 174.825 176.094 -1.001 0.000 1.073 598 V CA -1.234 60.628 62.300 -0.729 0.000 0.921 598 V CB 0.942 32.550 31.823 -0.359 0.000 1.009 598 V HN 0.575 nan 8.190 nan 0.000 0.426 599 V N 5.101 124.685 119.914 -0.549 0.000 2.509 599 V HA 0.156 4.267 4.120 -0.014 0.000 0.297 599 V C -1.793 174.143 176.094 -0.262 0.000 1.014 599 V CA -0.249 61.875 62.300 -0.293 0.000 1.127 599 V CB 0.227 31.999 31.823 -0.084 0.000 0.925 599 V HN 0.900 nan 8.190 nan 0.000 0.480 600 P HA 0.369 nan 4.420 nan 0.000 0.271 600 P C -0.426 176.792 177.300 -0.137 0.000 1.216 600 P CA -0.158 62.858 63.100 -0.140 0.000 0.776 600 P CB 0.578 32.242 31.700 -0.060 0.000 0.881 601 R N 0.974 121.406 120.500 -0.114 0.000 2.686 601 R HA 0.530 4.862 4.340 -0.014 0.000 0.283 601 R C -0.765 175.505 176.300 -0.051 0.000 0.978 601 R CA -0.594 55.442 56.100 -0.106 0.000 0.897 601 R CB 1.926 32.148 30.300 -0.130 0.000 1.192 601 R HN 0.316 nan 8.270 nan 0.000 0.457 602 T N 2.321 116.866 114.554 -0.014 0.000 2.770 602 T HA 0.239 4.581 4.350 -0.014 0.000 0.297 602 T C -0.274 174.349 174.700 -0.128 0.000 0.997 602 T CA -0.476 61.572 62.100 -0.086 0.000 0.949 602 T CB 1.108 69.863 68.868 -0.189 0.000 0.941 602 T HN 0.127 nan 8.240 nan 0.000 0.457 603 V N 6.019 125.863 119.914 -0.116 0.000 2.364 603 V HA 0.400 4.511 4.120 -0.014 0.000 0.272 603 V C 0.051 176.070 176.094 -0.125 0.000 1.036 603 V CA -0.417 61.819 62.300 -0.106 0.000 0.880 603 V CB 0.526 32.301 31.823 -0.079 0.000 0.991 603 V HN 0.863 nan 8.190 nan 0.000 0.460 604 M N 6.768 126.283 119.600 -0.142 0.000 2.243 604 M HA 0.619 5.090 4.480 -0.014 0.000 0.324 604 M C -0.978 175.215 176.300 -0.177 0.000 1.031 604 M CA -0.154 55.051 55.300 -0.158 0.000 0.949 604 M CB 1.979 34.482 32.600 -0.161 0.000 1.615 604 M HN 0.402 nan 8.290 nan 0.000 0.430 605 I N 1.835 122.278 120.570 -0.211 0.000 2.498 605 I HA 0.831 4.993 4.170 -0.014 0.000 0.290 605 I C 0.109 175.884 176.117 -0.570 0.000 1.032 605 I CA -0.607 60.537 61.300 -0.261 0.000 1.073 605 I CB 2.295 40.236 38.000 -0.100 0.000 1.251 605 I HN 0.805 nan 8.210 nan 0.000 0.426 606 G N 2.923 111.366 108.800 -0.595 0.000 2.660 606 G HA2 0.846 4.798 3.960 -0.014 0.000 0.294 606 G HA3 0.846 4.798 3.960 -0.014 0.000 0.294 606 G C -0.987 173.618 174.900 -0.492 0.000 1.369 606 G CA -0.786 43.830 45.100 -0.807 0.000 0.912 606 G HN 0.990 nan 8.290 nan 0.000 0.479 607 G N -0.412 108.254 108.800 -0.225 0.000 2.352 607 G HA2 0.406 4.358 3.960 -0.014 0.000 0.305 607 G HA3 0.406 4.358 3.960 -0.014 0.000 0.305 607 G C -1.402 173.638 174.900 0.233 0.000 1.537 607 G CA -1.044 44.089 45.100 0.056 0.000 0.959 607 G HN 0.603 nan 8.290 nan 0.000 0.668 608 K N -0.011 120.524 120.400 0.225 0.000 2.138 608 K HA 0.735 5.047 4.320 -0.014 0.000 0.263 608 K C 0.277 177.031 176.600 0.256 0.000 0.965 608 K CA -0.255 56.190 56.287 0.264 0.000 0.868 608 K CB 2.116 34.697 32.500 0.136 0.000 1.083 608 K HN 0.857 nan 8.250 nan 0.000 0.443 609 A N 1.683 124.674 122.820 0.285 0.000 2.301 609 A HA 0.598 4.910 4.320 -0.014 0.000 0.312 609 A C -0.255 177.532 177.584 0.339 0.000 1.182 609 A CA -0.651 51.512 52.037 0.210 0.000 0.826 609 A CB 0.779 19.820 19.000 0.070 0.000 1.134 609 A HN 0.796 nan 8.150 nan 0.000 0.501 610 A N 3.808 126.832 122.820 0.340 0.000 2.511 610 A HA 0.460 4.772 4.320 -0.014 0.000 0.242 610 A C -1.290 176.420 177.584 0.210 0.000 1.069 610 A CA -0.804 51.435 52.037 0.338 0.000 0.763 610 A CB -0.357 18.845 19.000 0.337 0.000 1.001 610 A HN 0.613 nan 8.150 nan 0.000 0.498 611 P HA -0.152 nan 4.420 nan 0.000 0.217 611 P C 1.294 178.612 177.300 0.030 0.000 1.151 611 P CA 2.065 65.121 63.100 -0.073 0.000 0.849 611 P CB 0.175 31.770 31.700 -0.175 0.000 0.787 612 G N -3.085 105.771 108.800 0.094 0.000 3.189 612 G HA2 -0.067 3.885 3.960 -0.014 0.000 0.225 612 G HA3 -0.067 3.885 3.960 -0.014 0.000 0.225 612 G C -0.232 174.789 174.900 0.202 0.000 1.159 612 G CA -0.132 45.035 45.100 0.112 0.000 0.763 612 G HN 0.310 nan 8.290 nan 0.000 0.549 613 Y N 1.688 122.032 120.300 0.073 0.000 2.650 613 Y HA 0.198 4.740 4.550 -0.014 0.000 0.343 613 Y C 1.618 177.573 175.900 0.092 0.000 1.078 613 Y CA -1.088 57.058 58.100 0.077 0.000 1.356 613 Y CB 0.179 38.671 38.460 0.053 0.000 1.204 613 Y HN 0.311 nan 8.280 nan 0.000 0.508 614 H N 4.456 123.704 119.070 0.298 0.000 2.319 614 H HA -0.215 4.333 4.556 -0.014 0.000 0.299 614 H C 1.752 177.145 175.328 0.108 0.000 1.092 614 H CA 2.302 58.449 56.048 0.164 0.000 1.302 614 H CB 0.361 30.206 29.762 0.138 0.000 1.373 614 H HN 0.732 nan 8.280 nan 0.000 0.497 615 M N 1.154 120.759 119.600 0.007 0.000 2.108 615 M HA -0.080 4.392 4.480 -0.014 0.000 0.261 615 M C 2.574 178.649 176.300 -0.376 0.000 1.066 615 M CA 1.879 57.088 55.300 -0.152 0.000 1.107 615 M CB -0.771 31.893 32.600 0.106 0.000 1.356 615 M HN 0.347 nan 8.290 nan 0.000 0.406 616 A N -0.337 122.023 122.820 -0.767 0.000 1.933 616 A HA -0.197 4.115 4.320 -0.014 0.000 0.218 616 A C 2.203 179.596 177.584 -0.318 0.000 1.175 616 A CA 1.880 53.494 52.037 -0.704 0.000 0.628 616 A CB -0.670 17.706 19.000 -1.040 0.000 0.814 616 A HN 0.585 nan 8.150 nan 0.000 0.444 617 K N -1.180 119.093 120.400 -0.212 0.000 2.148 617 K HA -0.050 4.262 4.320 -0.014 0.000 0.204 617 K C 1.922 178.493 176.600 -0.048 0.000 1.050 617 K CA 1.212 57.467 56.287 -0.053 0.000 0.942 617 K CB -0.222 32.320 32.500 0.070 0.000 0.724 617 K HN 0.354 nan 8.250 nan 0.000 0.446 618 M N 0.529 120.054 119.600 -0.125 0.000 2.175 618 M HA -0.077 4.395 4.480 -0.014 0.000 0.264 618 M C 2.113 178.354 176.300 -0.098 0.000 1.063 618 M CA 1.377 56.637 55.300 -0.067 0.000 1.119 618 M CB -0.630 31.908 32.600 -0.104 0.000 1.377 618 M HN 0.112 nan 8.290 nan 0.000 0.415 619 I N -0.261 120.211 120.570 -0.163 0.000 2.252 619 I HA -0.288 3.874 4.170 -0.014 0.000 0.245 619 I C 2.282 178.265 176.117 -0.224 0.000 1.102 619 I CA 0.995 62.184 61.300 -0.184 0.000 1.385 619 I CB -0.317 37.578 38.000 -0.175 0.000 1.064 619 I HN 0.158 nan 8.210 nan 0.000 0.414 620 I N 0.726 121.143 120.570 -0.254 0.000 2.163 620 I HA -0.321 3.841 4.170 -0.014 0.000 0.243 620 I C 2.615 178.435 176.117 -0.495 0.000 1.085 620 I CA 1.335 62.378 61.300 -0.428 0.000 1.347 620 I CB -0.313 37.416 38.000 -0.452 0.000 1.044 620 I HN 0.156 nan 8.210 nan 0.000 0.408 621 K N 1.465 121.587 120.400 -0.462 0.000 2.063 621 K HA -0.164 4.147 4.320 -0.014 0.000 0.208 621 K C 2.043 178.478 176.600 -0.274 0.000 1.048 621 K CA 1.535 57.476 56.287 -0.577 0.000 0.928 621 K CB -0.592 31.291 32.500 -1.029 0.000 0.713 621 K HN 0.231 nan 8.250 nan 0.000 0.442 622 L N 0.350 121.436 121.223 -0.228 0.000 2.012 622 L HA -0.196 4.136 4.340 -0.014 0.000 0.210 622 L C 2.231 178.865 176.870 -0.392 0.000 1.073 622 L CA 1.819 56.359 54.840 -0.499 0.000 0.748 622 L CB -0.321 41.360 42.059 -0.630 0.000 0.891 622 L HN 0.274 nan 8.230 nan 0.000 0.431 623 I N -0.212 120.177 120.570 -0.302 0.000 2.163 623 I HA -0.351 3.811 4.170 -0.014 0.000 0.243 623 I C 2.652 178.663 176.117 -0.177 0.000 1.085 623 I CA 1.997 63.174 61.300 -0.205 0.000 1.347 623 I CB -0.574 37.385 38.000 -0.069 0.000 1.044 623 I HN 0.446 nan 8.210 nan 0.000 0.408 624 T N -0.875 113.542 114.554 -0.228 0.000 2.821 624 T HA -0.092 4.250 4.350 -0.014 0.000 0.267 624 T C 1.990 176.626 174.700 -0.107 0.000 1.046 624 T CA 0.963 62.962 62.100 -0.168 0.000 1.139 624 T CB -0.521 68.202 68.868 -0.241 0.000 0.871 624 T HN 0.338 nan 8.240 nan 0.000 0.454 625 A N 1.514 124.270 122.820 -0.107 0.000 1.933 625 A HA 0.123 4.434 4.320 -0.014 0.000 0.218 625 A C 2.377 179.987 177.584 0.044 0.000 1.175 625 A CA 1.375 53.424 52.037 0.019 0.000 0.628 625 A CB -0.827 18.281 19.000 0.179 0.000 0.814 625 A HN 0.606 nan 8.150 nan 0.000 0.444 626 I N -0.311 120.180 120.570 -0.133 0.000 2.179 626 I HA -0.188 3.974 4.170 -0.014 0.000 0.242 626 I C 2.739 178.820 176.117 -0.059 0.000 1.088 626 I CA 1.120 62.323 61.300 -0.161 0.000 1.357 626 I CB -0.689 37.082 38.000 -0.382 0.000 1.051 626 I HN 0.379 nan 8.210 nan 0.000 0.409 627 G N 0.530 109.286 108.800 -0.074 0.000 2.476 627 G HA2 -0.286 3.666 3.960 -0.014 0.000 0.218 627 G HA3 -0.286 3.666 3.960 -0.014 0.000 0.218 627 G C 1.298 176.186 174.900 -0.019 0.000 1.164 627 G CA 1.133 46.197 45.100 -0.060 0.000 0.768 627 G HN 0.281 nan 8.290 nan 0.000 0.560 628 D N 0.022 120.455 120.400 0.054 0.000 2.133 628 D HA -0.108 4.523 4.640 -0.014 0.000 0.195 628 D C 2.734 179.155 176.300 0.202 0.000 0.997 628 D CA 0.980 55.083 54.000 0.171 0.000 0.840 628 D CB -0.329 40.535 40.800 0.106 0.000 0.947 628 D HN 0.241 nan 8.370 nan 0.000 0.452 629 V N 0.223 120.191 119.914 0.091 0.000 2.302 629 V HA -0.150 3.962 4.120 -0.014 0.000 0.243 629 V C 2.619 178.678 176.094 -0.058 0.000 1.036 629 V CA 0.849 63.153 62.300 0.007 0.000 1.020 629 V CB -0.301 31.505 31.823 -0.028 0.000 0.657 629 V HN 0.033 nan 8.190 nan 0.000 0.453 630 V N 0.863 120.690 119.914 -0.144 0.000 2.307 630 V HA -0.188 3.923 4.120 -0.014 0.000 0.245 630 V C 2.174 178.230 176.094 -0.065 0.000 1.045 630 V CA 1.994 64.199 62.300 -0.157 0.000 1.024 630 V CB -0.841 30.885 31.823 -0.163 0.000 0.651 630 V HN 0.564 nan 8.190 nan 0.000 0.449 631 N N -0.231 118.370 118.700 -0.165 0.000 2.459 631 N HA -0.092 4.640 4.740 -0.014 0.000 0.181 631 N C 1.143 176.406 175.510 -0.412 0.000 1.046 631 N CA 0.945 53.809 53.050 -0.311 0.000 0.904 631 N CB -0.287 37.938 38.487 -0.437 0.000 0.964 631 N HN 0.692 nan 8.380 nan 0.000 0.444 632 H N -1.500 117.583 119.070 0.021 0.000 2.581 632 H HA 0.218 4.766 4.556 -0.014 0.000 0.275 632 H C -0.587 174.763 175.328 0.038 0.000 1.126 632 H CA -0.489 55.573 56.048 0.023 0.000 1.097 632 H CB 0.591 30.358 29.762 0.007 0.000 1.626 632 H HN -0.024 nan 8.280 nan 0.000 0.565 633 D N 1.641 122.120 120.400 0.132 0.000 2.313 633 D HA 0.060 4.692 4.640 -0.014 0.000 0.239 633 D C -1.667 174.696 176.300 0.104 0.000 1.142 633 D CA -2.109 51.981 54.000 0.150 0.000 0.847 633 D CB 1.781 42.745 40.800 0.273 0.000 1.082 633 D HN 0.095 nan 8.370 nan 0.000 0.480 634 P HA -0.114 nan 4.420 nan 0.000 0.218 634 P C 1.598 178.922 177.300 0.040 0.000 1.149 634 P CA 0.371 63.502 63.100 0.053 0.000 0.817 634 P CB 0.455 32.180 31.700 0.042 0.000 0.785 635 V N -0.507 119.431 119.914 0.040 0.000 2.427 635 V HA -0.179 3.932 4.120 -0.014 0.000 0.248 635 V C 2.464 178.565 176.094 0.010 0.000 1.051 635 V CA 1.553 63.862 62.300 0.015 0.000 1.048 635 V CB -1.076 30.745 31.823 -0.003 0.000 0.666 635 V HN -0.025 nan 8.190 nan 0.000 0.456 636 V N -0.111 119.827 119.914 0.040 0.000 2.295 636 V HA 0.031 4.143 4.120 -0.014 0.000 0.246 636 V C 1.814 177.918 176.094 0.017 0.000 1.049 636 V CA 1.701 64.024 62.300 0.038 0.000 1.024 636 V CB -1.399 30.493 31.823 0.115 0.000 0.648 636 V HN 0.758 nan 8.190 nan 0.000 0.447 637 G N 1.418 110.233 108.800 0.024 0.000 2.550 637 G HA2 -0.366 3.586 3.960 -0.014 0.000 0.277 637 G HA3 -0.366 3.586 3.960 -0.014 0.000 0.277 637 G C 0.167 175.072 174.900 0.009 0.000 1.190 637 G CA 0.479 45.588 45.100 0.015 0.000 0.971 637 G HN 0.720 nan 8.290 nan 0.000 0.559 638 D N 0.100 120.504 120.400 0.007 0.000 2.427 638 D HA 0.252 4.884 4.640 -0.014 0.000 0.224 638 D C 1.777 178.073 176.300 -0.007 0.000 1.157 638 D CA 0.076 54.080 54.000 0.007 0.000 0.828 638 D CB 0.020 40.833 40.800 0.022 0.000 0.974 638 D HN 0.586 nan 8.370 nan 0.000 0.498 639 R N -0.686 119.799 120.500 -0.025 0.000 2.153 639 R HA 0.214 4.546 4.340 -0.014 0.000 0.218 639 R C -0.127 176.133 176.300 -0.066 0.000 1.072 639 R CA 0.299 56.361 56.100 -0.064 0.000 0.990 639 R CB 0.236 30.478 30.300 -0.095 0.000 0.889 639 R HN 0.147 nan 8.270 nan 0.000 0.452 640 L N 0.660 121.861 121.223 -0.037 0.000 2.505 640 L HA 0.393 4.724 4.340 -0.014 0.000 0.266 640 L C -1.624 175.226 176.870 -0.034 0.000 0.954 640 L CA -0.530 54.287 54.840 -0.039 0.000 0.852 640 L CB 1.812 43.859 42.059 -0.020 0.000 1.282 640 L HN -0.190 nan 8.230 nan 0.000 0.403 641 R N 3.894 124.363 120.500 -0.053 0.000 2.628 641 R HA 0.741 5.073 4.340 -0.014 0.000 0.288 641 R C -1.580 174.670 176.300 -0.083 0.000 0.980 641 R CA -0.789 55.270 56.100 -0.068 0.000 0.891 641 R CB 2.325 32.587 30.300 -0.064 0.000 1.188 641 R HN 0.403 nan 8.270 nan 0.000 0.450 642 V N 4.879 124.740 119.914 -0.087 0.000 2.350 642 V HA 0.446 4.558 4.120 -0.014 0.000 0.285 642 V C -0.182 175.870 176.094 -0.071 0.000 1.014 642 V CA -0.695 61.555 62.300 -0.083 0.000 0.831 642 V CB 1.453 33.224 31.823 -0.086 0.000 1.000 642 V HN 0.519 nan 8.190 nan 0.000 0.433 643 I N 5.012 125.538 120.570 -0.073 0.000 2.406 643 I HA 0.427 4.588 4.170 -0.014 0.000 0.290 643 I C -0.555 175.544 176.117 -0.030 0.000 0.999 643 I CA -0.339 60.925 61.300 -0.060 0.000 1.124 643 I CB 1.713 39.654 38.000 -0.099 0.000 1.289 643 I HN 0.540 nan 8.210 nan 0.000 0.441 644 F N 7.310 127.189 119.950 -0.119 0.000 2.404 644 F HA 0.447 4.966 4.527 -0.013 0.000 0.358 644 F C -0.504 175.221 175.800 -0.125 0.000 1.120 644 F CA -0.660 57.271 58.000 -0.115 0.000 1.144 644 F CB 0.604 39.539 39.000 -0.109 0.000 1.133 644 F HN 0.155 nan 8.300 nan 0.000 0.495 645 L N 6.119 126.933 121.223 -0.682 0.000 2.407 645 L HA 0.159 4.491 4.340 -0.014 0.000 0.282 645 L C 0.256 176.858 176.870 -0.446 0.000 1.110 645 L CA 0.148 54.717 54.840 -0.452 0.000 0.863 645 L CB 0.128 42.007 42.059 -0.300 0.000 1.207 645 L HN 0.608 nan 8.230 nan 0.000 0.454 646 E N 3.312 123.376 120.200 -0.227 0.000 2.354 646 E HA 0.010 4.352 4.350 -0.014 0.000 0.269 646 E C 0.476 177.131 176.600 0.091 0.000 1.036 646 E CA -0.245 56.162 56.400 0.013 0.000 0.876 646 E CB 0.334 30.007 29.700 -0.045 0.000 1.009 646 E HN 0.531 nan 8.360 nan 0.000 0.416 647 N N 2.631 121.447 118.700 0.193 0.000 2.738 647 N HA -0.281 4.450 4.740 -0.014 0.000 0.249 647 N C -1.555 174.063 175.510 0.180 0.000 1.047 647 N CA 0.516 53.684 53.050 0.197 0.000 0.707 647 N CB -1.542 37.073 38.487 0.214 0.000 0.937 647 N HN 0.481 nan 8.380 nan 0.000 0.545 648 Y N 1.521 121.841 120.300 0.033 0.000 2.712 648 Y HA 0.206 4.748 4.550 -0.014 0.000 0.333 648 Y C 1.160 177.089 175.900 0.049 0.000 1.225 648 Y CA 0.775 58.883 58.100 0.013 0.000 1.499 648 Y CB 0.384 38.818 38.460 -0.044 0.000 1.288 648 Y HN 0.411 nan 8.280 nan 0.000 0.575 649 R N 2.235 122.376 120.500 -0.597 0.000 2.752 649 R HA 0.371 4.702 4.340 -0.014 0.000 0.277 649 R C -0.676 175.286 176.300 -0.562 0.000 1.024 649 R CA -0.551 55.302 56.100 -0.411 0.000 0.866 649 R CB 0.229 30.491 30.300 -0.063 0.000 1.278 649 R HN 0.370 nan 8.270 nan 0.000 0.473 650 V N 1.083 120.684 119.914 -0.521 0.000 2.287 650 V HA -0.288 3.824 4.120 -0.014 0.000 0.248 650 V C 2.603 178.564 176.094 -0.222 0.000 1.053 650 V CA 2.828 64.889 62.300 -0.397 0.000 1.027 650 V CB -0.792 30.750 31.823 -0.470 0.000 0.646 650 V HN 0.914 nan 8.190 nan 0.000 0.447 651 S N 0.031 115.624 115.700 -0.178 0.000 2.382 651 S HA -0.173 4.289 4.470 -0.014 0.000 0.228 651 S C 1.947 176.496 174.600 -0.086 0.000 1.027 651 S CA 1.615 59.740 58.200 -0.125 0.000 0.991 651 S CB -0.521 62.633 63.200 -0.076 0.000 0.823 651 S HN 0.384 nan 8.310 nan 0.000 0.469 652 L N 2.078 123.266 121.223 -0.057 0.000 2.093 652 L HA 0.279 4.611 4.340 -0.014 0.000 0.208 652 L C 2.722 179.624 176.870 0.053 0.000 1.085 652 L CA 1.470 56.332 54.840 0.037 0.000 0.755 652 L CB -1.348 40.797 42.059 0.145 0.000 0.904 652 L HN 0.369 nan 8.230 nan 0.000 0.435 653 A N -0.670 122.150 122.820 -0.001 0.000 1.908 653 A HA -0.251 4.061 4.320 -0.014 0.000 0.218 653 A C 2.127 179.776 177.584 0.108 0.000 1.181 653 A CA 1.914 54.023 52.037 0.121 0.000 0.627 653 A CB -0.641 18.417 19.000 0.097 0.000 0.818 653 A HN 0.609 nan 8.150 nan 0.000 0.445 654 E N -0.508 119.725 120.200 0.055 0.000 2.338 654 E HA -0.152 4.190 4.350 -0.014 0.000 0.197 654 E C 1.864 178.430 176.600 -0.056 0.000 1.007 654 E CA 1.144 57.530 56.400 -0.023 0.000 0.849 654 E CB -0.043 29.544 29.700 -0.188 0.000 0.774 654 E HN 0.634 nan 8.360 nan 0.000 0.506 655 K N 0.013 120.372 120.400 -0.068 0.000 2.141 655 K HA 0.032 4.344 4.320 -0.014 0.000 0.202 655 K C 2.125 178.592 176.600 -0.221 0.000 1.045 655 K CA 0.403 56.648 56.287 -0.070 0.000 0.971 655 K CB 0.050 32.513 32.500 -0.062 0.000 0.795 655 K HN -0.056 nan 8.250 nan 0.000 0.459 656 V N 1.784 121.480 119.914 -0.364 0.000 2.591 656 V HA -0.112 4.000 4.120 -0.014 0.000 0.249 656 V C 1.847 177.716 176.094 -0.375 0.000 1.053 656 V CA 1.164 63.020 62.300 -0.740 0.000 1.068 656 V CB -0.155 31.314 31.823 -0.590 0.000 0.689 656 V HN 0.237 nan 8.190 nan 0.000 0.462 657 I N 0.776 121.173 120.570 -0.289 0.000 2.142 657 I HA -0.122 4.040 4.170 -0.014 0.000 0.240 657 I C -0.225 175.780 176.117 -0.187 0.000 1.078 657 I CA 1.622 62.676 61.300 -0.410 0.000 1.343 657 I CB -1.504 36.129 38.000 -0.612 0.000 1.046 657 I HN 0.358 nan 8.210 nan 0.000 0.405 658 P HA -0.128 nan 4.420 nan 0.000 0.223 658 P C 0.945 178.247 177.300 0.004 0.000 1.144 658 P CA 1.262 64.344 63.100 -0.030 0.000 0.783 658 P CB -0.003 31.687 31.700 -0.015 0.000 0.771 659 A N -1.193 121.614 122.820 -0.020 0.000 2.275 659 A HA 0.456 4.768 4.320 -0.014 0.000 0.212 659 A C 1.173 178.865 177.584 0.181 0.000 1.201 659 A CA 0.137 52.218 52.037 0.072 0.000 0.843 659 A CB -0.660 18.388 19.000 0.080 0.000 0.873 659 A HN 0.203 nan 8.150 nan 0.000 0.492 660 A N -0.066 122.857 122.820 0.172 0.000 2.354 660 A HA 0.486 4.797 4.320 -0.014 0.000 0.269 660 A C 0.322 178.058 177.584 0.254 0.000 1.109 660 A CA -0.258 51.945 52.037 0.276 0.000 0.800 660 A CB 0.373 19.635 19.000 0.437 0.000 1.045 660 A HN 0.264 nan 8.150 nan 0.000 0.489 661 D N 0.689 121.238 120.400 0.249 0.000 2.323 661 D HA 0.108 4.740 4.640 -0.014 0.000 0.218 661 D C 0.082 176.604 176.300 0.370 0.000 0.973 661 D CA 0.811 55.010 54.000 0.331 0.000 0.890 661 D CB 0.294 41.201 40.800 0.177 0.000 1.011 661 D HN 0.372 nan 8.370 nan 0.000 0.499 662 L N 1.013 122.339 121.223 0.172 0.000 2.381 662 L HA 0.285 4.617 4.340 -0.014 0.000 0.274 662 L C -0.825 175.942 176.870 -0.173 0.000 0.988 662 L CA -0.333 54.538 54.840 0.052 0.000 0.824 662 L CB 2.125 44.190 42.059 0.011 0.000 1.263 662 L HN -0.188 nan 8.230 nan 0.000 0.410 663 S N 4.274 119.787 115.700 -0.312 0.000 2.422 663 S HA 0.327 4.788 4.470 -0.014 0.000 0.308 663 S C -0.400 173.947 174.600 -0.422 0.000 1.097 663 S CA -0.679 57.086 58.200 -0.726 0.000 1.099 663 S CB 0.658 63.365 63.200 -0.822 0.000 0.976 663 S HN 0.553 nan 8.310 nan 0.000 0.471 664 E N 4.138 124.096 120.200 -0.404 0.000 2.089 664 E HA 0.203 4.544 4.350 -0.014 0.000 0.284 664 E C -0.519 175.978 176.600 -0.173 0.000 1.023 664 E CA -0.379 55.907 56.400 -0.190 0.000 0.819 664 E CB 0.962 30.578 29.700 -0.140 0.000 1.076 664 E HN 0.608 nan 8.360 nan 0.000 0.396 665 Q N 2.784 122.538 119.800 -0.077 0.000 2.965 665 Q HA 0.271 4.603 4.340 -0.014 0.000 0.288 665 Q C 0.539 176.523 176.000 -0.026 0.000 0.974 665 Q CA -0.132 55.632 55.803 -0.065 0.000 0.849 665 Q CB 0.189 28.898 28.738 -0.049 0.000 1.280 665 Q HN 0.606 nan 8.270 nan 0.000 0.441 666 I N -1.700 118.841 120.570 -0.048 0.000 3.424 666 I HA 0.292 4.454 4.170 -0.014 0.000 0.339 666 I C 0.327 176.390 176.117 -0.090 0.000 1.549 666 I CA -0.710 60.573 61.300 -0.029 0.000 1.049 666 I CB 0.539 38.527 38.000 -0.018 0.000 1.439 666 I HN -0.008 nan 8.210 nan 0.000 0.500 667 S N 0.292 115.939 115.700 -0.088 0.000 2.572 667 S HA 0.213 4.675 4.470 -0.014 0.000 0.279 667 S C 0.579 175.156 174.600 -0.039 0.000 1.341 667 S CA -0.285 57.884 58.200 -0.052 0.000 1.043 667 S CB 0.365 63.581 63.200 0.026 0.000 0.887 667 S HN 0.403 nan 8.310 nan 0.000 0.516 668 T N 2.854 117.416 114.554 0.014 0.000 2.908 668 T HA 0.347 4.689 4.350 -0.014 0.000 0.301 668 T C 0.751 175.453 174.700 0.003 0.000 1.019 668 T CA 0.260 62.374 62.100 0.024 0.000 1.152 668 T CB -0.096 68.854 68.868 0.137 0.000 0.966 668 T HN 1.017 nan 8.240 nan 0.000 0.540 669 A N 2.761 125.553 122.820 -0.047 0.000 2.566 669 A HA 0.466 4.778 4.320 -0.014 0.000 0.245 669 A C 1.635 179.205 177.584 -0.024 0.000 1.056 669 A CA 0.273 52.278 52.037 -0.053 0.000 0.757 669 A CB -0.862 18.093 19.000 -0.074 0.000 0.979 669 A HN 1.681 nan 8.150 nan 0.000 0.508 670 G N 1.352 110.137 108.800 -0.025 0.000 2.195 670 G HA2 -0.243 3.709 3.960 -0.014 0.000 0.224 670 G HA3 -0.243 3.709 3.960 -0.014 0.000 0.224 670 G C 0.945 175.824 174.900 -0.036 0.000 0.990 670 G CA 1.019 46.105 45.100 -0.022 0.000 0.639 670 G HN 1.903 nan 8.290 nan 0.000 0.514 671 T N -2.015 112.512 114.554 -0.044 0.000 3.046 671 T HA 0.383 4.725 4.350 -0.014 0.000 0.242 671 T C 0.825 175.356 174.700 -0.281 0.000 1.018 671 T CA 1.150 63.152 62.100 -0.165 0.000 1.131 671 T CB 0.428 69.234 68.868 -0.104 0.000 0.904 671 T HN 0.278 nan 8.240 nan 0.000 0.459 672 E N 1.591 121.761 120.200 -0.049 0.000 2.070 672 E HA 0.632 4.974 4.350 -0.014 0.000 0.282 672 E C 1.157 177.707 176.600 -0.083 0.000 1.104 672 E CA 0.109 56.531 56.400 0.036 0.000 0.876 672 E CB 0.714 30.492 29.700 0.131 0.000 1.055 672 E HN 0.374 nan 8.360 nan 0.000 0.401 673 A N 3.429 126.126 122.820 -0.206 0.000 1.892 673 A HA -0.224 4.087 4.320 -0.014 0.000 0.218 673 A C 2.002 179.469 177.584 -0.194 0.000 1.188 673 A CA 2.277 54.068 52.037 -0.410 0.000 0.631 673 A CB -0.278 18.230 19.000 -0.821 0.000 0.822 673 A HN 0.607 nan 8.150 nan 0.000 0.447 674 S N -3.879 111.758 115.700 -0.106 0.000 3.984 674 S HA 0.453 4.915 4.470 -0.014 0.000 0.221 674 S C 0.717 175.302 174.600 -0.026 0.000 1.149 674 S CA 1.433 59.614 58.200 -0.033 0.000 0.950 674 S CB -0.120 63.082 63.200 0.003 0.000 1.216 674 S HN 2.274 nan 8.310 nan 0.000 0.547 675 G N 0.388 109.176 108.800 -0.019 0.000 2.722 675 G HA2 -0.072 3.879 3.960 -0.014 0.000 0.686 675 G HA3 -0.072 3.879 3.960 -0.014 0.000 0.686 675 G C 0.253 175.129 174.900 -0.040 0.000 1.282 675 G CA 0.454 45.539 45.100 -0.025 0.000 0.817 675 G HN 1.299 nan 8.290 nan 0.000 0.605 676 T N -1.711 112.805 114.554 -0.063 0.000 3.010 676 T HA 0.385 4.726 4.350 -0.014 0.000 0.253 676 T C 2.402 176.998 174.700 -0.173 0.000 0.939 676 T CA 1.248 63.282 62.100 -0.109 0.000 0.910 676 T CB 0.294 69.088 68.868 -0.124 0.000 1.226 676 T HN 1.882 nan 8.240 nan 0.000 0.508 677 G N 3.233 111.956 108.800 -0.127 0.000 2.440 677 G HA2 -0.304 3.648 3.960 -0.014 0.000 0.218 677 G HA3 -0.304 3.648 3.960 -0.014 0.000 0.218 677 G C 1.461 176.412 174.900 0.085 0.000 1.154 677 G CA 1.271 46.324 45.100 -0.079 0.000 0.767 677 G HN 0.835 nan 8.290 nan 0.000 0.552 678 N N 0.006 118.736 118.700 0.049 0.000 2.060 678 N HA -0.143 4.589 4.740 -0.014 0.000 0.195 678 N C 1.454 176.969 175.510 0.007 0.000 1.028 678 N CA 0.833 53.909 53.050 0.043 0.000 0.861 678 N CB -0.392 38.072 38.487 -0.038 0.000 1.029 678 N HN 0.353 nan 8.380 nan 0.000 0.428 682 M N 0.232 119.908 119.600 0.127 0.000 2.117 682 M HA -0.142 4.329 4.480 -0.014 0.000 0.262 682 M C 1.984 178.326 176.300 0.070 0.000 1.065 682 M CA 1.792 57.130 55.300 0.063 0.000 1.114 682 M CB -0.066 32.567 32.600 0.055 0.000 1.361 682 M HN 0.310 nan 8.290 nan 0.000 0.408 683 L N 0.690 121.957 121.223 0.073 0.000 2.291 683 L HA -0.079 4.253 4.340 -0.014 0.000 0.214 683 L C 1.341 178.253 176.870 0.069 0.000 1.120 683 L CA 1.599 56.490 54.840 0.086 0.000 0.799 683 L CB -0.597 41.524 42.059 0.104 0.000 0.925 683 L HN 0.338 nan 8.230 nan 0.000 0.446 684 N N -0.366 118.367 118.700 0.054 0.000 2.235 684 N HA 0.176 4.907 4.740 -0.014 0.000 0.209 684 N C 0.832 176.375 175.510 0.056 0.000 1.122 684 N CA 0.793 53.870 53.050 0.044 0.000 0.845 684 N CB 0.649 39.141 38.487 0.008 0.000 1.004 684 N HN 0.387 nan 8.380 nan 0.000 0.499 685 G N 0.547 109.383 108.800 0.061 0.000 2.140 685 G HA2 -0.180 3.772 3.960 -0.014 0.000 0.211 685 G HA3 -0.180 3.772 3.960 -0.014 0.000 0.211 685 G C -0.033 174.928 174.900 0.103 0.000 1.013 685 G CA 0.089 45.224 45.100 0.058 0.000 0.705 685 G HN 0.504 nan 8.290 nan 0.000 0.508 686 A N -0.277 122.612 122.820 0.115 0.000 2.312 686 A HA 0.887 5.199 4.320 -0.014 0.000 0.328 686 A C 0.395 177.965 177.584 -0.022 0.000 1.158 686 A CA -0.606 51.516 52.037 0.143 0.000 0.821 686 A CB 0.992 20.143 19.000 0.252 0.000 1.170 686 A HN 0.727 nan 8.150 nan 0.000 0.490 687 L N 0.795 121.975 121.223 -0.073 0.000 2.379 687 L HA 0.448 4.779 4.340 -0.014 0.000 0.269 687 L C 0.133 176.894 176.870 -0.182 0.000 1.084 687 L CA -0.350 54.336 54.840 -0.256 0.000 0.802 687 L CB 1.577 43.403 42.059 -0.388 0.000 1.175 687 L HN 0.679 nan 8.230 nan 0.000 0.448 688 T N 2.971 117.318 114.554 -0.345 0.000 2.770 688 T HA 0.432 4.773 4.350 -0.014 0.000 0.283 688 T C -0.332 174.383 174.700 0.026 0.000 0.988 688 T CA -0.233 61.719 62.100 -0.247 0.000 0.957 688 T CB 1.268 69.895 68.868 -0.400 0.000 0.930 688 T HN 0.340 nan 8.240 nan 0.000 0.443 689 I N 3.356 123.984 120.570 0.096 0.000 2.321 689 I HA 0.686 4.848 4.170 -0.014 0.000 0.291 689 I C 0.218 176.513 176.117 0.297 0.000 0.998 689 I CA 0.166 61.611 61.300 0.242 0.000 1.227 689 I CB 0.202 38.263 38.000 0.101 0.000 1.368 689 I HN 0.770 nan 8.210 nan 0.000 0.466 690 G N 4.017 113.053 108.800 0.394 0.000 2.623 690 G HA2 0.458 4.410 3.960 -0.014 0.000 0.290 690 G HA3 0.458 4.410 3.960 -0.014 0.000 0.290 690 G C -0.892 173.939 174.900 -0.115 0.000 1.437 690 G CA -0.442 44.782 45.100 0.206 0.000 0.798 690 G HN 0.564 nan 8.290 nan 0.000 0.488 691 T N -1.348 112.996 114.554 -0.350 0.000 2.847 691 T HA 0.496 4.838 4.350 -0.014 0.000 0.279 691 T C 0.772 175.339 174.700 -0.221 0.000 0.984 691 T CA -0.689 61.126 62.100 -0.476 0.000 0.988 691 T CB 1.082 69.690 68.868 -0.433 0.000 1.040 691 T HN 0.260 nan 8.240 nan 0.000 0.528 692 M N 2.849 122.333 119.600 -0.194 0.000 3.254 692 M HA 0.302 4.774 4.480 -0.014 0.000 0.257 692 M C -0.450 175.789 176.300 -0.102 0.000 1.490 692 M CA 0.056 55.281 55.300 -0.125 0.000 1.620 692 M CB -1.830 30.708 32.600 -0.104 0.000 1.157 692 M HN 0.718 nan 8.290 nan 0.000 0.541 693 D N 0.033 120.378 120.400 -0.091 0.000 2.671 693 D HA 0.670 5.302 4.640 -0.014 0.000 0.232 693 D C 0.669 176.939 176.300 -0.049 0.000 1.114 693 D CA 0.745 54.707 54.000 -0.064 0.000 0.858 693 D CB 1.748 42.512 40.800 -0.060 0.000 1.544 693 D HN 0.611 nan 8.370 nan 0.000 0.471 694 G N 1.869 110.651 108.800 -0.030 0.000 2.614 694 G HA2 -0.246 3.705 3.960 -0.014 0.000 0.303 694 G HA3 -0.246 3.705 3.960 -0.014 0.000 0.303 694 G C 1.014 175.902 174.900 -0.020 0.000 1.270 694 G CA 1.050 46.137 45.100 -0.021 0.000 0.988 694 G HN 1.056 nan 8.290 nan 0.000 0.551 695 A N -0.238 122.565 122.820 -0.029 0.000 2.167 695 A HA 0.123 4.434 4.320 -0.014 0.000 0.214 695 A C 2.094 179.607 177.584 -0.118 0.000 1.151 695 A CA 1.753 53.768 52.037 -0.037 0.000 0.735 695 A CB -0.443 18.529 19.000 -0.046 0.000 0.802 695 A HN 0.632 nan 8.150 nan 0.000 0.467 696 N N 0.640 119.275 118.700 -0.109 0.000 2.137 696 N HA -0.164 4.568 4.740 -0.014 0.000 0.190 696 N C 1.592 176.978 175.510 -0.207 0.000 1.017 696 N CA 1.663 54.637 53.050 -0.127 0.000 0.859 696 N CB -0.652 37.799 38.487 -0.061 0.000 1.002 696 N HN 0.303 nan 8.380 nan 0.000 0.428 697 V N 1.276 121.109 119.914 -0.136 0.000 2.295 697 V HA -0.206 3.905 4.120 -0.014 0.000 0.246 697 V C 2.005 178.024 176.094 -0.124 0.000 1.049 697 V CA 1.686 63.907 62.300 -0.131 0.000 1.024 697 V CB -0.513 31.265 31.823 -0.074 0.000 0.648 697 V HN 0.340 nan 8.190 nan 0.000 0.447 698 E N -0.525 119.655 120.200 -0.034 0.000 2.152 698 E HA -0.146 4.196 4.350 -0.014 0.000 0.192 698 E C 2.210 178.907 176.600 0.161 0.000 0.983 698 E CA 1.102 57.557 56.400 0.092 0.000 0.818 698 E CB -0.200 29.642 29.700 0.237 0.000 0.758 698 E HN 0.537 nan 8.360 nan 0.000 0.467 699 M N 0.431 119.996 119.600 -0.058 0.000 2.117 699 M HA -0.144 4.328 4.480 -0.014 0.000 0.262 699 M C 2.457 178.417 176.300 -0.565 0.000 1.065 699 M CA 1.551 56.716 55.300 -0.224 0.000 1.114 699 M CB -0.152 32.224 32.600 -0.374 0.000 1.361 699 M HN 0.140 nan 8.290 nan 0.000 0.408 700 A N -0.246 121.985 122.820 -0.980 0.000 1.930 700 A HA -0.190 4.122 4.320 -0.014 0.000 0.217 700 A C 1.995 179.344 177.584 -0.392 0.000 1.175 700 A CA 1.753 53.157 52.037 -1.055 0.000 0.627 700 A CB -0.744 17.758 19.000 -0.829 0.000 0.815 700 A HN 0.579 nan 8.150 nan 0.000 0.443 701 E N -0.221 119.838 120.200 -0.234 0.000 2.077 701 E HA -0.223 4.119 4.350 -0.014 0.000 0.193 701 E C 1.714 178.280 176.600 -0.057 0.000 0.989 701 E CA 1.306 57.641 56.400 -0.108 0.000 0.800 701 E CB -0.093 29.567 29.700 -0.066 0.000 0.746 701 E HN 0.548 nan 8.360 nan 0.000 0.452 702 E N 0.052 120.245 120.200 -0.012 0.000 2.072 702 E HA -0.127 4.215 4.350 -0.014 0.000 0.191 702 E C 1.820 178.447 176.600 0.046 0.000 0.985 702 E CA 1.115 57.538 56.400 0.038 0.000 0.801 702 E CB -0.121 29.660 29.700 0.135 0.000 0.750 702 E HN 0.370 nan 8.360 nan 0.000 0.452 703 A N 0.379 123.232 122.820 0.055 0.000 2.081 703 A HA 0.346 4.658 4.320 -0.014 0.000 0.214 703 A C 1.054 178.669 177.584 0.051 0.000 1.158 703 A CA 1.022 53.121 52.037 0.103 0.000 0.724 703 A CB 0.009 19.171 19.000 0.271 0.000 0.826 703 A HN 0.241 nan 8.150 nan 0.000 0.463 704 G N 0.168 108.966 108.800 -0.004 0.000 3.039 704 G HA2 -0.090 3.862 3.960 -0.014 0.000 0.686 704 G HA3 -0.090 3.862 3.960 -0.014 0.000 0.686 704 G C 0.121 175.011 174.900 -0.016 0.000 1.066 704 G CA 0.219 45.309 45.100 -0.018 0.000 0.774 704 G HN 0.823 nan 8.290 nan 0.000 0.591 705 E N 0.674 120.847 120.200 -0.044 0.000 2.333 705 E HA -0.127 4.214 4.350 -0.014 0.000 0.198 705 E C 1.646 178.238 176.600 -0.013 0.000 1.007 705 E CA 1.809 58.188 56.400 -0.035 0.000 0.845 705 E CB -0.074 29.597 29.700 -0.049 0.000 0.766 705 E HN 0.692 nan 8.360 nan 0.000 0.507 706 E N 0.997 121.179 120.200 -0.029 0.000 2.338 706 E HA -0.090 4.252 4.350 -0.014 0.000 0.197 706 E C 0.891 177.411 176.600 -0.133 0.000 1.007 706 E CA 0.876 57.239 56.400 -0.062 0.000 0.849 706 E CB -0.086 29.588 29.700 -0.043 0.000 0.774 706 E HN 0.325 nan 8.360 nan 0.000 0.506 707 N N -0.310 118.342 118.700 -0.082 0.000 2.251 707 N HA 0.142 4.874 4.740 -0.014 0.000 0.217 707 N C -0.888 174.497 175.510 -0.209 0.000 1.124 707 N CA 0.133 53.091 53.050 -0.153 0.000 0.843 707 N CB 0.397 38.859 38.487 -0.042 0.000 1.024 707 N HN 0.047 nan 8.380 nan 0.000 0.501 708 F N -0.446 119.254 119.950 -0.416 0.000 2.588 708 F HA 0.416 4.935 4.527 -0.015 0.000 0.314 708 F C -0.557 174.965 175.800 -0.464 0.000 1.069 708 F CA -1.094 56.678 58.000 -0.382 0.000 0.931 708 F CB 1.258 40.158 39.000 -0.167 0.000 1.260 708 F HN -0.219 nan 8.300 nan 0.000 0.465 709 F N 4.023 124.029 119.950 0.094 0.000 2.359 709 F HA 0.441 4.960 4.527 -0.013 0.000 0.355 709 F C -0.330 175.608 175.800 0.230 0.000 1.132 709 F CA -0.571 57.495 58.000 0.111 0.000 1.246 709 F CB -0.175 38.841 39.000 0.027 0.000 1.569 709 F HN 0.033 nan 8.300 nan 0.000 0.561 710 I N 3.590 124.354 120.570 0.323 0.000 2.428 710 I HA 0.370 4.532 4.170 -0.014 0.000 0.289 710 I C -0.099 176.195 176.117 0.296 0.000 1.019 710 I CA -0.435 61.010 61.300 0.240 0.000 1.351 710 I CB 0.453 38.511 38.000 0.096 0.000 1.412 710 I HN 0.334 nan 8.210 nan 0.000 0.513 711 F N 3.104 123.112 119.950 0.097 0.000 2.685 711 F HA 0.962 5.481 4.527 -0.014 0.000 0.315 711 F C 0.125 175.960 175.800 0.058 0.000 1.126 711 F CA -0.766 57.283 58.000 0.082 0.000 0.950 711 F CB 0.939 40.003 39.000 0.106 0.000 1.360 711 F HN 0.850 nan 8.300 nan 0.000 0.469 712 G N 0.853 109.715 108.800 0.104 0.000 2.757 712 G HA2 -0.076 3.876 3.960 -0.014 0.000 0.638 712 G HA3 -0.076 3.876 3.960 -0.014 0.000 0.638 712 G C -0.890 173.978 174.900 -0.054 0.000 1.344 712 G CA -0.626 44.473 45.100 -0.002 0.000 0.855 712 G HN 0.947 nan 8.290 nan 0.000 0.537 713 M N 0.839 120.418 119.600 -0.036 0.000 2.252 713 M HA 0.230 4.702 4.480 -0.014 0.000 0.333 713 M C 1.263 177.524 176.300 -0.065 0.000 1.111 713 M CA 0.060 55.346 55.300 -0.024 0.000 1.140 713 M CB 0.290 32.884 32.600 -0.009 0.000 1.538 713 M HN 0.536 nan 8.290 nan 0.000 0.448 714 R N 1.569 122.045 120.500 -0.041 0.000 2.541 714 R HA 0.277 4.609 4.340 -0.014 0.000 0.263 714 R C 1.225 177.503 176.300 -0.037 0.000 1.112 714 R CA -0.558 55.513 56.100 -0.048 0.000 1.170 714 R CB -0.074 30.206 30.300 -0.034 0.000 1.167 714 R HN 0.570 nan 8.270 nan 0.000 0.582 715 V N 1.443 121.334 119.914 -0.038 0.000 2.324 715 V HA -0.275 3.836 4.120 -0.014 0.000 0.250 715 V C 1.906 177.987 176.094 -0.021 0.000 1.060 715 V CA 2.083 64.364 62.300 -0.031 0.000 1.042 715 V CB -0.513 31.291 31.823 -0.033 0.000 0.650 715 V HN 0.628 nan 8.190 nan 0.000 0.450 716 E N 0.201 120.391 120.200 -0.017 0.000 2.110 716 E HA -0.193 4.149 4.350 -0.014 0.000 0.193 716 E C 1.961 178.563 176.600 0.003 0.000 0.988 716 E CA 1.432 57.828 56.400 -0.008 0.000 0.804 716 E CB -0.379 29.317 29.700 -0.006 0.000 0.745 716 E HN 0.622 nan 8.360 nan 0.000 0.458 717 D N -0.103 120.301 120.400 0.006 0.000 2.144 717 D HA -0.098 4.533 4.640 -0.014 0.000 0.200 717 D C 1.988 178.302 176.300 0.024 0.000 0.978 717 D CA 0.852 54.866 54.000 0.022 0.000 0.833 717 D CB -0.067 40.749 40.800 0.026 0.000 0.961 717 D HN 0.068 nan 8.370 nan 0.000 0.470 718 V N 1.844 121.759 119.914 0.002 0.000 2.295 718 V HA -0.215 3.897 4.120 -0.014 0.000 0.246 718 V C 1.951 178.045 176.094 -0.001 0.000 1.049 718 V CA 1.676 63.970 62.300 -0.010 0.000 1.024 718 V CB -0.434 31.372 31.823 -0.028 0.000 0.648 718 V HN 0.015 nan 8.190 nan 0.000 0.447 719 D N 0.015 120.414 120.400 -0.001 0.000 2.104 719 D HA -0.172 4.459 4.640 -0.014 0.000 0.194 719 D C 2.405 178.716 176.300 0.018 0.000 0.994 719 D CA 1.351 55.353 54.000 0.003 0.000 0.830 719 D CB -0.298 40.501 40.800 -0.003 0.000 0.959 719 D HN 0.349 nan 8.370 nan 0.000 0.452 720 R N 0.011 120.527 120.500 0.026 0.000 2.091 720 R HA -0.037 4.295 4.340 -0.014 0.000 0.238 720 R C 2.485 178.821 176.300 0.060 0.000 1.136 720 R CA 0.539 56.663 56.100 0.039 0.000 0.959 720 R CB -0.356 29.970 30.300 0.043 0.000 0.856 720 R HN 0.213 nan 8.270 nan 0.000 0.437 721 L N 0.554 121.821 121.223 0.074 0.000 2.093 721 L HA -0.193 4.139 4.340 -0.014 0.000 0.208 721 L C 1.428 178.366 176.870 0.113 0.000 1.085 721 L CA 1.332 56.244 54.840 0.120 0.000 0.755 721 L CB -0.238 41.907 42.059 0.144 0.000 0.904 721 L HN 0.231 nan 8.230 nan 0.000 0.435 722 D N -0.554 119.886 120.400 0.066 0.000 2.144 722 D HA -0.195 4.437 4.640 -0.014 0.000 0.200 722 D C 2.203 178.533 176.300 0.050 0.000 0.978 722 D CA 1.059 55.090 54.000 0.053 0.000 0.833 722 D CB 0.022 40.831 40.800 0.015 0.000 0.961 722 D HN 0.430 nan 8.370 nan 0.000 0.470 723 Q N 0.035 119.861 119.800 0.043 0.000 2.079 723 Q HA -0.050 4.282 4.340 -0.014 0.000 0.200 723 Q C 2.238 178.264 176.000 0.043 0.000 0.974 723 Q CA 0.834 56.658 55.803 0.035 0.000 0.840 723 Q CB 0.086 28.841 28.738 0.028 0.000 0.898 723 Q HN 0.122 nan 8.270 nan 0.000 0.430 724 R N -0.500 120.034 120.500 0.056 0.000 2.119 724 R HA 0.020 4.352 4.340 -0.014 0.000 0.222 724 R C -0.058 176.281 176.300 0.066 0.000 1.088 724 R CA 0.805 56.940 56.100 0.058 0.000 0.984 724 R CB 0.291 30.633 30.300 0.070 0.000 0.884 724 R HN 0.293 nan 8.270 nan 0.000 0.447 725 G N -0.064 108.789 108.800 0.089 0.000 3.355 725 G HA2 -0.258 3.694 3.960 -0.014 0.000 0.686 725 G HA3 -0.258 3.694 3.960 -0.014 0.000 0.686 725 G C -1.349 173.645 174.900 0.156 0.000 1.097 725 G CA -0.550 44.611 45.100 0.102 0.000 0.881 725 G HN 0.262 nan 8.290 nan 0.000 0.550 726 Y N 3.649 123.985 120.300 0.059 0.000 2.436 726 Y HA 0.512 5.053 4.550 -0.014 0.000 0.343 726 Y C 0.554 176.513 175.900 0.099 0.000 1.008 726 Y CA -0.612 57.543 58.100 0.091 0.000 1.241 726 Y CB 0.756 39.253 38.460 0.061 0.000 1.153 726 Y HN 0.575 nan 8.280 nan 0.000 0.521 727 N N 5.146 123.641 118.700 -0.341 0.000 2.558 727 N HA 0.353 5.085 4.740 -0.014 0.000 0.242 727 N C 0.351 175.621 175.510 -0.400 0.000 0.979 727 N CA 0.192 53.044 53.050 -0.329 0.000 0.931 727 N CB 1.081 39.496 38.487 -0.121 0.000 1.122 727 N HN 0.878 nan 8.380 nan 0.000 0.508 728 A N 2.887 125.370 122.820 -0.561 0.000 1.972 728 A HA -0.226 4.085 4.320 -0.014 0.000 0.219 728 A C 2.019 179.739 177.584 0.225 0.000 1.169 728 A CA 1.319 53.250 52.037 -0.176 0.000 0.635 728 A CB -0.409 18.384 19.000 -0.345 0.000 0.810 728 A HN 0.768 nan 8.150 nan 0.000 0.446 729 Q N 0.276 120.093 119.800 0.029 0.000 2.152 729 Q HA -0.240 4.091 4.340 -0.014 0.000 0.206 729 Q C 1.872 177.943 176.000 0.117 0.000 0.985 729 Q CA 2.342 58.182 55.803 0.061 0.000 0.863 729 Q CB -0.389 28.336 28.738 -0.023 0.000 0.904 729 Q HN 0.774 nan 8.270 nan 0.000 0.422 730 E N -1.378 118.826 120.200 0.007 0.000 2.070 730 E HA -0.248 4.094 4.350 -0.014 0.000 0.197 730 E C 1.596 178.111 176.600 -0.141 0.000 1.004 730 E CA 1.575 57.901 56.400 -0.123 0.000 0.805 730 E CB -0.248 29.273 29.700 -0.298 0.000 0.744 730 E HN 0.609 nan 8.360 nan 0.000 0.451 731 Y N -1.136 119.231 120.300 0.112 0.000 2.200 731 Y HA -0.206 4.335 4.550 -0.014 0.000 0.290 731 Y C 2.228 178.118 175.900 -0.016 0.000 1.137 731 Y CA 1.480 59.628 58.100 0.080 0.000 1.163 731 Y CB -0.689 37.869 38.460 0.163 0.000 0.988 731 Y HN 0.233 nan 8.280 nan 0.000 0.518 732 Y N 1.413 121.739 120.300 0.043 0.000 2.165 732 Y HA -0.282 4.260 4.550 -0.014 0.000 0.286 732 Y C 1.817 177.682 175.900 -0.058 0.000 1.155 732 Y CA 1.912 59.965 58.100 -0.078 0.000 1.164 732 Y CB -0.395 38.078 38.460 0.022 0.000 0.978 732 Y HN 0.090 nan 8.280 nan 0.000 0.513 733 D N -0.358 120.129 120.400 0.145 0.000 2.183 733 D HA -0.096 4.536 4.640 -0.014 0.000 0.203 733 D C 1.881 178.154 176.300 -0.044 0.000 0.969 733 D CA 1.240 55.270 54.000 0.049 0.000 0.842 733 D CB -0.128 40.720 40.800 0.080 0.000 0.957 733 D HN 0.488 nan 8.370 nan 0.000 0.484 734 R N -0.201 120.273 120.500 -0.043 0.000 2.308 734 R HA 0.278 4.610 4.340 -0.014 0.000 0.202 734 R C 0.367 176.645 176.300 -0.036 0.000 0.898 734 R CA 0.087 56.163 56.100 -0.040 0.000 1.046 734 R CB 1.084 31.359 30.300 -0.041 0.000 1.026 734 R HN 0.148 nan 8.270 nan 0.000 0.512 735 I N 2.279 122.809 120.570 -0.066 0.000 2.437 735 I HA 0.222 4.384 4.170 -0.014 0.000 0.279 735 I C -1.956 174.069 176.117 -0.152 0.000 1.028 735 I CA -2.331 58.932 61.300 -0.061 0.000 1.142 735 I CB 2.170 40.166 38.000 -0.007 0.000 1.266 735 I HN -0.272 nan 8.210 nan 0.000 0.461 736 P HA -0.114 nan 4.420 nan 0.000 0.217 736 P C 1.174 178.380 177.300 -0.156 0.000 1.150 736 P CA 1.188 64.198 63.100 -0.151 0.000 0.832 736 P CB 0.319 31.962 31.700 -0.095 0.000 0.787 737 E N -0.779 119.366 120.200 -0.093 0.000 2.110 737 E HA -0.166 4.175 4.350 -0.014 0.000 0.193 737 E C 1.833 178.334 176.600 -0.164 0.000 0.988 737 E CA 0.767 57.128 56.400 -0.065 0.000 0.804 737 E CB -0.592 29.141 29.700 0.055 0.000 0.745 737 E HN 0.125 nan 8.360 nan 0.000 0.458 738 L N 1.237 122.272 121.223 -0.313 0.000 2.056 738 L HA -0.121 4.211 4.340 -0.014 0.000 0.207 738 L C 2.344 178.937 176.870 -0.462 0.000 1.078 738 L CA 1.599 56.083 54.840 -0.594 0.000 0.749 738 L CB -0.324 41.225 42.059 -0.850 0.000 0.901 738 L HN -0.090 nan 8.230 nan 0.000 0.433 739 R N -0.875 119.336 120.500 -0.481 0.000 2.083 739 R HA -0.238 4.094 4.340 -0.014 0.000 0.237 739 R C 2.414 178.533 176.300 -0.301 0.000 1.137 739 R CA 1.999 57.728 56.100 -0.619 0.000 0.951 739 R CB -0.354 29.520 30.300 -0.710 0.000 0.851 739 R HN 0.585 nan 8.270 nan 0.000 0.434 740 Q N 0.376 120.044 119.800 -0.221 0.000 2.096 740 Q HA -0.189 4.142 4.340 -0.014 0.000 0.204 740 Q C 2.064 178.006 176.000 -0.097 0.000 0.982 740 Q CA 1.886 57.606 55.803 -0.138 0.000 0.850 740 Q CB -0.078 28.583 28.738 -0.129 0.000 0.901 740 Q HN 0.471 nan 8.270 nan 0.000 0.422 741 I N 0.538 121.047 120.570 -0.102 0.000 2.226 741 I HA -0.279 3.883 4.170 -0.014 0.000 0.245 741 I C 2.105 178.237 176.117 0.025 0.000 1.100 741 I CA 0.584 61.862 61.300 -0.037 0.000 1.374 741 I CB -0.295 37.659 38.000 -0.077 0.000 1.057 741 I HN 0.278 nan 8.210 nan 0.000 0.413 742 I N 0.908 121.493 120.570 0.025 0.000 2.226 742 I HA -0.235 3.927 4.170 -0.014 0.000 0.245 742 I C 2.469 178.684 176.117 0.164 0.000 1.100 742 I CA 1.648 63.035 61.300 0.146 0.000 1.374 742 I CB -1.320 36.861 38.000 0.301 0.000 1.057 742 I HN 0.344 nan 8.210 nan 0.000 0.413 743 E N 0.383 120.658 120.200 0.125 0.000 2.110 743 E HA -0.238 4.104 4.350 -0.014 0.000 0.193 743 E C 2.159 178.822 176.600 0.104 0.000 0.988 743 E CA 0.940 57.408 56.400 0.113 0.000 0.804 743 E CB -0.142 29.596 29.700 0.063 0.000 0.745 743 E HN 0.593 nan 8.360 nan 0.000 0.458 744 Q N 0.514 120.357 119.800 0.071 0.000 2.050 744 Q HA -0.138 4.194 4.340 -0.014 0.000 0.202 744 Q C 2.386 178.558 176.000 0.286 0.000 0.980 744 Q CA 1.051 56.908 55.803 0.091 0.000 0.840 744 Q CB -0.076 28.634 28.738 -0.047 0.000 0.898 744 Q HN 0.298 nan 8.270 nan 0.000 0.424 745 L N -0.050 121.349 121.223 0.293 0.000 2.046 745 L HA -0.198 4.134 4.340 -0.014 0.000 0.208 745 L C 2.468 179.521 176.870 0.306 0.000 1.077 745 L CA 1.000 56.035 54.840 0.325 0.000 0.747 745 L CB -0.365 41.803 42.059 0.182 0.000 0.896 745 L HN 0.145 nan 8.230 nan 0.000 0.432 746 S N -0.293 115.542 115.700 0.225 0.000 2.368 746 S HA -0.157 4.305 4.470 -0.014 0.000 0.224 746 S C 2.131 176.835 174.600 0.173 0.000 1.029 746 S CA 1.537 59.849 58.200 0.187 0.000 0.988 746 S CB -0.241 63.050 63.200 0.151 0.000 0.838 746 S HN 0.609 nan 8.310 nan 0.000 0.462 747 S N 0.485 116.289 115.700 0.173 0.000 2.489 747 S HA 0.274 4.736 4.470 -0.014 0.000 0.228 747 S C 1.478 176.169 174.600 0.152 0.000 0.995 747 S CA 0.789 59.077 58.200 0.146 0.000 0.934 747 S CB -0.192 63.089 63.200 0.136 0.000 0.771 747 S HN 0.865 nan 8.310 nan 0.000 0.522 748 G N 0.384 109.308 108.800 0.207 0.000 2.135 748 G HA2 -0.248 3.704 3.960 -0.014 0.000 0.183 748 G HA3 -0.248 3.704 3.960 -0.014 0.000 0.183 748 G C 0.148 175.146 174.900 0.162 0.000 1.004 748 G CA 0.073 45.285 45.100 0.188 0.000 0.677 748 G HN 0.459 nan 8.290 nan 0.000 0.512 749 F N 0.348 120.306 119.950 0.014 0.000 2.126 749 F HA 0.156 4.675 4.527 -0.014 0.000 0.299 749 F C 1.942 177.558 175.800 -0.307 0.000 1.096 749 F CA 2.107 59.989 58.000 -0.197 0.000 1.255 749 F CB -0.053 38.738 39.000 -0.349 0.000 0.997 749 F HN 0.185 nan 8.300 nan 0.000 0.479 750 F N -0.504 119.621 119.950 0.292 0.000 2.727 750 F HA 0.187 4.706 4.527 -0.014 0.000 0.302 750 F C 0.724 176.658 175.800 0.223 0.000 1.097 750 F CA 0.270 58.395 58.000 0.208 0.000 1.330 750 F CB -0.153 38.960 39.000 0.189 0.000 1.084 750 F HN -0.056 nan 8.300 nan 0.000 0.578 751 S N -1.694 114.180 115.700 0.291 0.000 2.440 751 S HA 0.325 4.786 4.470 -0.014 0.000 0.142 751 S C -2.455 172.174 174.600 0.048 0.000 1.578 751 S CA -1.055 57.230 58.200 0.143 0.000 1.260 751 S CB 0.910 64.140 63.200 0.051 0.000 1.407 751 S HN -0.174 nan 8.310 nan 0.000 0.392 752 P HA -0.041 nan 4.420 nan 0.000 0.217 752 P C 0.984 178.275 177.300 -0.015 0.000 1.150 752 P CA 1.156 64.236 63.100 -0.034 0.000 0.832 752 P CB 0.097 31.750 31.700 -0.079 0.000 0.787 753 K N -1.169 119.224 120.400 -0.011 0.000 2.361 753 K HA 0.073 4.385 4.320 -0.014 0.000 0.196 753 K C 0.613 177.212 176.600 -0.002 0.000 1.039 753 K CA 0.562 56.845 56.287 -0.007 0.000 1.001 753 K CB 0.190 32.687 32.500 -0.005 0.000 0.795 753 K HN 0.275 nan 8.250 nan 0.000 0.495 754 Q N 0.168 119.965 119.800 -0.005 0.000 2.907 754 Q HA 0.157 4.489 4.340 -0.014 0.000 0.262 754 Q C -2.380 173.612 176.000 -0.013 0.000 0.997 754 Q CA -1.669 54.126 55.803 -0.014 0.000 0.797 754 Q CB 1.471 30.192 28.738 -0.028 0.000 1.228 754 Q HN -0.082 nan 8.270 nan 0.000 0.466 755 P HA -0.224 nan 4.420 nan 0.000 0.217 755 P C 0.706 178.041 177.300 0.058 0.000 1.148 755 P CA 1.460 64.587 63.100 0.045 0.000 0.828 755 P CB 0.210 31.936 31.700 0.043 0.000 0.783 756 D N -1.234 119.185 120.400 0.031 0.000 2.342 756 D HA -0.009 4.622 4.640 -0.014 0.000 0.221 756 D C 1.628 177.928 176.300 -0.001 0.000 1.101 756 D CA -0.227 53.799 54.000 0.044 0.000 0.837 756 D CB -0.601 40.226 40.800 0.045 0.000 0.938 756 D HN 0.001 nan 8.370 nan 0.000 0.508 757 L N 0.080 121.235 121.223 -0.112 0.000 2.089 757 L HA -0.122 4.210 4.340 -0.014 0.000 0.213 757 L C 1.176 177.840 176.870 -0.344 0.000 1.079 757 L CA 1.716 56.369 54.840 -0.312 0.000 0.758 757 L CB -0.650 41.036 42.059 -0.622 0.000 0.891 757 L HN 0.014 nan 8.230 nan 0.000 0.433 758 F N -0.902 119.111 119.950 0.106 0.000 2.668 758 F HA 0.125 4.644 4.527 -0.013 0.000 0.297 758 F C 1.804 177.659 175.800 0.092 0.000 1.124 758 F CA -0.165 57.886 58.000 0.086 0.000 1.353 758 F CB -0.273 38.766 39.000 0.066 0.000 0.992 758 F HN 0.094 nan 8.300 nan 0.000 0.524 759 K N -0.338 120.183 120.400 0.201 0.000 2.103 759 K HA -0.197 4.115 4.320 -0.014 0.000 0.207 759 K C 1.066 177.767 176.600 0.169 0.000 1.048 759 K CA 2.030 58.415 56.287 0.164 0.000 0.930 759 K CB -0.292 32.281 32.500 0.121 0.000 0.716 759 K HN 0.062 nan 8.250 nan 0.000 0.444 760 D N 1.163 121.679 120.400 0.194 0.000 2.117 760 D HA -0.093 4.539 4.640 -0.014 0.000 0.197 760 D C 2.055 178.460 176.300 0.174 0.000 0.987 760 D CA 1.224 55.353 54.000 0.214 0.000 0.829 760 D CB -0.121 40.861 40.800 0.304 0.000 0.961 760 D HN 0.307 nan 8.370 nan 0.000 0.460 761 I N 0.495 121.168 120.570 0.171 0.000 2.202 761 I HA -0.217 3.945 4.170 -0.014 0.000 0.242 761 I C 2.466 178.615 176.117 0.054 0.000 1.091 761 I CA 0.616 61.978 61.300 0.104 0.000 1.368 761 I CB -0.264 37.795 38.000 0.097 0.000 1.058 761 I HN -0.117 nan 8.210 nan 0.000 0.410 762 V N 1.263 121.232 119.914 0.091 0.000 2.295 762 V HA -0.301 3.811 4.120 -0.014 0.000 0.246 762 V C 2.281 178.365 176.094 -0.016 0.000 1.049 762 V CA 2.339 64.676 62.300 0.061 0.000 1.024 762 V CB -0.985 30.903 31.823 0.109 0.000 0.648 762 V HN 0.477 nan 8.190 nan 0.000 0.447 763 N N 0.008 118.725 118.700 0.028 0.000 2.069 763 N HA -0.219 4.513 4.740 -0.014 0.000 0.191 763 N C 1.847 177.218 175.510 -0.232 0.000 1.031 763 N CA 1.995 55.065 53.050 0.034 0.000 0.852 763 N CB -0.340 38.237 38.487 0.150 0.000 1.018 763 N HN 0.333 nan 8.380 nan 0.000 0.423 764 M N -0.208 119.229 119.600 -0.271 0.000 2.086 764 M HA -0.110 4.362 4.480 -0.014 0.000 0.261 764 M C 1.492 177.560 176.300 -0.386 0.000 1.067 764 M CA 1.269 56.273 55.300 -0.494 0.000 1.116 764 M CB -0.723 31.829 32.600 -0.079 0.000 1.348 764 M HN 0.190 nan 8.290 nan 0.000 0.407 765 L N 0.739 121.794 121.223 -0.280 0.000 2.042 765 L HA -0.229 4.103 4.340 -0.014 0.000 0.210 765 L C 2.481 178.994 176.870 -0.594 0.000 1.076 765 L CA 1.720 56.303 54.840 -0.428 0.000 0.749 765 L CB -1.193 40.669 42.059 -0.329 0.000 0.893 765 L HN 0.351 nan 8.230 nan 0.000 0.432 766 M N -1.996 117.314 119.600 -0.483 0.000 2.288 766 M HA -0.080 4.392 4.480 -0.014 0.000 0.266 766 M C 1.929 177.793 176.300 -0.726 0.000 1.072 766 M CA 1.460 56.389 55.300 -0.617 0.000 1.132 766 M CB -0.813 31.343 32.600 -0.739 0.000 1.386 766 M HN 0.346 nan 8.290 nan 0.000 0.432 767 H N -1.968 116.960 119.070 -0.237 0.000 2.926 767 H HA 0.186 4.734 4.556 -0.014 0.000 0.249 767 H C 0.159 175.464 175.328 -0.038 0.000 0.963 767 H CA 0.669 56.642 56.048 -0.125 0.000 1.158 767 H CB 0.223 29.971 29.762 -0.023 0.000 1.445 767 H HN 0.552 nan 8.280 nan 0.000 0.452 768 H N -0.896 118.227 119.070 0.088 0.000 2.716 768 H HA 0.296 4.844 4.556 -0.014 0.000 0.230 768 H C -1.074 174.271 175.328 0.030 0.000 1.401 768 H CA -0.624 55.461 56.048 0.062 0.000 1.168 768 H CB 0.123 29.922 29.762 0.062 0.000 1.935 768 H HN -0.119 nan 8.280 nan 0.000 0.538 769 D N 1.413 121.829 120.400 0.027 0.000 2.393 769 D HA 0.121 4.753 4.640 -0.014 0.000 0.232 769 D C 0.898 177.149 176.300 -0.082 0.000 1.192 769 D CA -0.382 53.616 54.000 -0.004 0.000 0.882 769 D CB 0.720 41.500 40.800 -0.034 0.000 1.038 769 D HN 0.457 nan 8.370 nan 0.000 0.499 770 R N 2.315 122.671 120.500 -0.240 0.000 2.189 770 R HA -0.050 4.282 4.340 -0.014 0.000 0.223 770 R C 0.625 176.442 176.300 -0.804 0.000 1.092 770 R CA 0.919 56.657 56.100 -0.602 0.000 0.989 770 R CB 0.108 29.826 30.300 -0.969 0.000 0.876 770 R HN 0.418 nan 8.270 nan 0.000 0.457 771 F N 0.225 120.135 119.950 -0.068 0.000 2.661 771 F HA 0.275 4.794 4.527 -0.014 0.000 0.306 771 F C 0.051 175.732 175.800 -0.198 0.000 1.094 771 F CA -0.639 57.309 58.000 -0.087 0.000 1.254 771 F CB 0.255 39.268 39.000 0.021 0.000 1.040 771 F HN -0.247 nan 8.300 nan 0.000 0.562 772 K N -0.442 119.777 120.400 -0.303 0.000 3.148 772 K HA -0.177 4.135 4.320 -0.014 0.000 0.267 772 K C 0.965 177.454 176.600 -0.186 0.000 0.996 772 K CA 0.233 56.159 56.287 -0.602 0.000 0.737 772 K CB -1.981 30.082 32.500 -0.727 0.000 1.308 772 K HN 0.214 nan 8.250 nan 0.000 0.470 773 V N -0.012 119.877 119.914 -0.043 0.000 2.282 773 V HA -0.300 3.812 4.120 -0.014 0.000 0.249 773 V C 1.974 178.214 176.094 0.243 0.000 1.057 773 V CA 2.398 64.752 62.300 0.089 0.000 1.032 773 V CB -0.524 31.354 31.823 0.092 0.000 0.645 773 V HN 0.489 nan 8.190 nan 0.000 0.447 774 F N 0.170 120.123 119.950 0.005 0.000 2.216 774 F HA -0.176 4.343 4.527 -0.014 0.000 0.300 774 F C 2.512 178.094 175.800 -0.363 0.000 1.085 774 F CA 0.617 58.559 58.000 -0.097 0.000 1.326 774 F CB -0.355 38.603 39.000 -0.071 0.000 1.027 774 F HN 0.200 nan 8.300 nan 0.000 0.497 775 A N -0.519 122.150 122.820 -0.252 0.000 2.019 775 A HA -0.188 4.123 4.320 -0.014 0.000 0.219 775 A C 1.462 179.035 177.584 -0.018 0.000 1.164 775 A CA 1.821 53.635 52.037 -0.371 0.000 0.644 775 A CB -0.432 18.486 19.000 -0.138 0.000 0.805 775 A HN 0.229 nan 8.150 nan 0.000 0.449 776 D N -2.824 117.627 120.400 0.085 0.000 2.369 776 D HA 0.084 4.716 4.640 -0.014 0.000 0.211 776 D C 1.174 177.635 176.300 0.268 0.000 1.077 776 D CA -0.023 54.102 54.000 0.207 0.000 0.842 776 D CB -0.121 40.815 40.800 0.226 0.000 0.947 776 D HN 0.587 nan 8.370 nan 0.000 0.509 777 Y N 2.174 122.550 120.300 0.126 0.000 2.097 777 Y HA -0.228 4.314 4.550 -0.013 0.000 0.282 777 Y C 2.093 178.068 175.900 0.125 0.000 1.152 777 Y CA 1.894 60.077 58.100 0.138 0.000 1.136 777 Y CB 0.171 38.673 38.460 0.070 0.000 0.975 777 Y HN -0.113 nan 8.280 nan 0.000 0.498 778 E N 0.027 120.286 120.200 0.099 0.000 2.038 778 E HA -0.259 4.083 4.350 -0.014 0.000 0.195 778 E C 2.179 178.739 176.600 -0.065 0.000 1.000 778 E CA 1.707 58.098 56.400 -0.015 0.000 0.803 778 E CB -0.220 29.569 29.700 0.148 0.000 0.750 778 E HN 0.640 nan 8.360 nan 0.000 0.448 779 E N -0.259 119.978 120.200 0.062 0.000 2.153 779 E HA -0.198 4.144 4.350 -0.014 0.000 0.194 779 E C 1.923 178.504 176.600 -0.030 0.000 0.988 779 E CA 0.712 57.168 56.400 0.094 0.000 0.811 779 E CB -0.119 29.728 29.700 0.245 0.000 0.746 779 E HN 0.263 nan 8.360 nan 0.000 0.466 780 Y N 1.147 121.249 120.300 -0.330 0.000 2.133 780 Y HA -0.214 4.328 4.550 -0.014 0.000 0.287 780 Y C 2.139 177.640 175.900 -0.665 0.000 1.134 780 Y CA 0.993 58.576 58.100 -0.861 0.000 1.133 780 Y CB -0.508 37.506 38.460 -0.743 0.000 0.987 780 Y HN -0.210 nan 8.280 nan 0.000 0.502 781 V N 0.427 119.965 119.914 -0.626 0.000 2.343 781 V HA -0.297 3.814 4.120 -0.014 0.000 0.247 781 V C 2.347 178.197 176.094 -0.407 0.000 1.051 781 V CA 2.296 64.245 62.300 -0.585 0.000 1.036 781 V CB -0.636 30.856 31.823 -0.551 0.000 0.654 781 V HN 0.218 nan 8.190 nan 0.000 0.451 782 K N -0.611 119.614 120.400 -0.292 0.000 2.026 782 K HA -0.180 4.131 4.320 -0.014 0.000 0.208 782 K C 2.253 178.742 176.600 -0.185 0.000 1.048 782 K CA 1.837 58.019 56.287 -0.175 0.000 0.929 782 K CB -0.861 31.587 32.500 -0.086 0.000 0.713 782 K HN 0.536 nan 8.250 nan 0.000 0.439 783 C N 0.791 119.951 119.300 -0.234 0.000 2.440 783 C HA -0.065 4.387 4.460 -0.014 0.000 0.278 783 C C 2.460 177.240 174.990 -0.350 0.000 1.295 783 C CA 0.647 59.549 59.018 -0.193 0.000 1.738 783 C CB -0.701 26.955 27.740 -0.141 0.000 1.987 783 C HN 0.470 nan 8.230 nan 0.000 0.492 784 Q N 0.520 119.984 119.800 -0.561 0.000 2.124 784 Q HA -0.180 4.151 4.340 -0.014 0.000 0.202 784 Q C 1.992 177.779 176.000 -0.354 0.000 0.977 784 Q CA 1.675 57.110 55.803 -0.614 0.000 0.850 784 Q CB -0.406 27.719 28.738 -1.021 0.000 0.901 784 Q HN 0.757 nan 8.270 nan 0.000 0.429 785 E N 0.222 120.270 120.200 -0.252 0.000 2.077 785 E HA -0.155 4.187 4.350 -0.014 0.000 0.193 785 E C 2.109 178.646 176.600 -0.106 0.000 0.989 785 E CA 0.684 57.000 56.400 -0.141 0.000 0.800 785 E CB -0.038 29.601 29.700 -0.102 0.000 0.746 785 E HN 0.268 nan 8.360 nan 0.000 0.452 786 R N 0.420 120.854 120.500 -0.109 0.000 2.096 786 R HA -0.102 4.230 4.340 -0.014 0.000 0.235 786 R C 2.440 178.682 176.300 -0.098 0.000 1.127 786 R CA 0.979 57.063 56.100 -0.028 0.000 0.968 786 R CB -0.391 29.952 30.300 0.071 0.000 0.861 786 R HN 0.065 nan 8.270 nan 0.000 0.440 787 V N 0.635 120.311 119.914 -0.397 0.000 2.261 787 V HA -0.265 3.846 4.120 -0.014 0.000 0.246 787 V C 2.237 178.299 176.094 -0.053 0.000 1.047 787 V CA 2.031 64.024 62.300 -0.511 0.000 1.015 787 V CB -0.417 31.017 31.823 -0.649 0.000 0.642 787 V HN 0.295 nan 8.190 nan 0.000 0.446 788 S N -0.082 115.560 115.700 -0.097 0.000 2.370 788 S HA -0.202 4.260 4.470 -0.014 0.000 0.226 788 S C 2.203 176.847 174.600 0.074 0.000 1.033 788 S CA 1.461 59.642 58.200 -0.031 0.000 1.011 788 S CB -0.530 62.627 63.200 -0.073 0.000 0.852 788 S HN 0.661 nan 8.310 nan 0.000 0.457 789 A N 1.352 124.214 122.820 0.071 0.000 1.883 789 A HA -0.036 4.275 4.320 -0.014 0.000 0.217 789 A C 2.107 179.792 177.584 0.169 0.000 1.186 789 A CA 1.185 53.286 52.037 0.108 0.000 0.624 789 A CB -0.751 18.301 19.000 0.087 0.000 0.822 789 A HN 0.467 nan 8.150 nan 0.000 0.444 790 L N -2.062 119.314 121.223 0.256 0.000 2.093 790 L HA -0.154 4.178 4.340 -0.014 0.000 0.208 790 L C 2.464 179.596 176.870 0.437 0.000 1.085 790 L CA 1.770 56.841 54.840 0.385 0.000 0.755 790 L CB -0.418 41.975 42.059 0.557 0.000 0.904 790 L HN 0.607 nan 8.230 nan 0.000 0.435 791 Y N 0.961 121.373 120.300 0.187 0.000 2.333 791 Y HA -0.260 4.283 4.550 -0.012 0.000 0.290 791 Y C 2.427 178.255 175.900 -0.121 0.000 1.144 791 Y CA 1.559 59.521 58.100 -0.229 0.000 1.228 791 Y CB -0.041 38.074 38.460 -0.576 0.000 0.985 791 Y HN 0.061 nan 8.280 nan 0.000 0.542 792 K N -0.108 120.325 120.400 0.054 0.000 2.280 792 K HA -0.160 4.152 4.320 -0.014 0.000 0.202 792 K C 0.421 177.000 176.600 -0.034 0.000 1.047 792 K CA 0.936 57.238 56.287 0.026 0.000 0.942 792 K CB -0.120 32.438 32.500 0.096 0.000 0.739 792 K HN 0.054 nan 8.250 nan 0.000 0.457 793 N N 0.360 119.056 118.700 -0.007 0.000 2.936 793 N HA 0.130 4.862 4.740 -0.014 0.000 0.243 793 N C -2.427 173.080 175.510 -0.005 0.000 1.149 793 N CA -2.169 50.884 53.050 0.005 0.000 0.914 793 N CB 1.162 39.684 38.487 0.059 0.000 1.179 793 N HN -0.180 nan 8.380 nan 0.000 0.502 794 P HA -0.161 nan 4.420 nan 0.000 0.216 794 P C 1.361 178.667 177.300 0.010 0.000 1.150 794 P CA 1.063 64.085 63.100 -0.130 0.000 0.843 794 P CB 0.407 32.005 31.700 -0.169 0.000 0.787 795 R N 0.098 120.607 120.500 0.015 0.000 2.075 795 R HA -0.127 4.205 4.340 -0.014 0.000 0.232 795 R C 1.867 178.209 176.300 0.069 0.000 1.126 795 R CA 1.330 57.451 56.100 0.035 0.000 0.963 795 R CB -0.308 30.003 30.300 0.020 0.000 0.858 795 R HN 0.072 nan 8.270 nan 0.000 0.435 796 E N -0.082 120.170 120.200 0.087 0.000 2.216 796 E HA -0.196 4.146 4.350 -0.014 0.000 0.192 796 E C 1.589 178.268 176.600 0.131 0.000 0.988 796 E CA 0.468 56.923 56.400 0.092 0.000 0.834 796 E CB -0.370 29.381 29.700 0.085 0.000 0.772 796 E HN 0.505 nan 8.360 nan 0.000 0.479 797 W N 2.286 123.586 121.300 -0.000 0.000 2.333 797 W HA -0.193 4.458 4.660 -0.015 0.000 0.316 797 W C 1.582 178.105 176.519 0.008 0.000 1.215 797 W CA 2.124 59.483 57.345 0.024 0.000 1.278 797 W CB -0.394 29.057 29.460 -0.015 0.000 1.154 797 W HN 0.027 nan 8.180 nan 0.000 0.486 798 T N 1.106 115.796 114.554 0.227 0.000 2.867 798 T HA -0.158 4.184 4.350 -0.014 0.000 0.268 798 T C 1.834 176.543 174.700 0.016 0.000 1.057 798 T CA 1.588 63.752 62.100 0.108 0.000 1.136 798 T CB -0.284 68.633 68.868 0.081 0.000 0.874 798 T HN 0.175 nan 8.240 nan 0.000 0.466 799 R N 0.391 120.905 120.500 0.024 0.000 2.092 799 R HA 0.119 4.450 4.340 -0.014 0.000 0.231 799 R C 2.494 178.780 176.300 -0.023 0.000 1.119 799 R CA 1.114 57.226 56.100 0.020 0.000 0.970 799 R CB -0.308 30.011 30.300 0.031 0.000 0.864 799 R HN 0.363 nan 8.270 nan 0.000 0.440 800 M N 0.458 120.006 119.600 -0.087 0.000 2.132 800 M HA -0.136 4.336 4.480 -0.014 0.000 0.263 800 M C 1.953 178.138 176.300 -0.192 0.000 1.065 800 M CA 1.372 56.574 55.300 -0.163 0.000 1.122 800 M CB 0.159 32.602 32.600 -0.263 0.000 1.365 800 M HN -0.021 nan 8.290 nan 0.000 0.411 801 V N 1.069 120.848 119.914 -0.226 0.000 2.282 801 V HA -0.335 3.776 4.120 -0.014 0.000 0.249 801 V C 2.216 178.277 176.094 -0.055 0.000 1.057 801 V CA 2.190 64.392 62.300 -0.163 0.000 1.032 801 V CB -0.680 31.078 31.823 -0.108 0.000 0.645 801 V HN 0.515 nan 8.190 nan 0.000 0.447 802 I N -0.740 119.826 120.570 -0.008 0.000 2.264 802 I HA -0.248 3.913 4.170 -0.014 0.000 0.248 802 I C 2.682 178.843 176.117 0.073 0.000 1.111 802 I CA 1.554 62.902 61.300 0.080 0.000 1.382 802 I CB -0.394 37.709 38.000 0.171 0.000 1.060 802 I HN 0.192 nan 8.210 nan 0.000 0.418 803 R N 0.335 120.853 120.500 0.030 0.000 2.148 803 R HA -0.079 4.253 4.340 -0.014 0.000 0.227 803 R C 2.024 178.350 176.300 0.043 0.000 1.103 803 R CA 0.990 57.109 56.100 0.031 0.000 0.983 803 R CB -0.315 29.989 30.300 0.007 0.000 0.874 803 R HN 0.527 nan 8.270 nan 0.000 0.451 804 N N 0.675 119.384 118.700 0.016 0.000 2.092 804 N HA -0.099 4.633 4.740 -0.014 0.000 0.189 804 N C 1.957 177.515 175.510 0.080 0.000 1.040 804 N CA 1.155 54.234 53.050 0.047 0.000 0.845 804 N CB -0.077 38.375 38.487 -0.058 0.000 1.017 804 N HN 0.092 nan 8.380 nan 0.000 0.426 805 I N 1.718 122.322 120.570 0.056 0.000 2.194 805 I HA -0.273 3.888 4.170 -0.014 0.000 0.246 805 I C 2.443 178.606 176.117 0.076 0.000 1.093 805 I CA 1.073 62.416 61.300 0.070 0.000 1.355 805 I CB -0.324 37.712 38.000 0.061 0.000 1.046 805 I HN 0.125 nan 8.210 nan 0.000 0.413 806 A N 0.183 123.047 122.820 0.073 0.000 2.067 806 A HA -0.153 4.159 4.320 -0.014 0.000 0.219 806 A C 2.113 179.734 177.584 0.062 0.000 1.158 806 A CA 1.988 54.060 52.037 0.058 0.000 0.661 806 A CB -0.818 18.219 19.000 0.062 0.000 0.801 806 A HN 0.539 nan 8.150 nan 0.000 0.452 807 T N -2.933 111.675 114.554 0.091 0.000 3.134 807 T HA 0.164 4.505 4.350 -0.014 0.000 0.260 807 T C 1.170 175.971 174.700 0.168 0.000 1.027 807 T CA 0.659 62.821 62.100 0.102 0.000 0.913 807 T CB -0.214 68.717 68.868 0.105 0.000 1.046 807 T HN 0.482 nan 8.240 nan 0.000 0.553 808 S N 0.147 115.961 115.700 0.189 0.000 2.603 808 S HA 0.248 4.710 4.470 -0.014 0.000 0.220 808 S C 2.157 176.902 174.600 0.241 0.000 0.967 808 S CA 0.240 58.628 58.200 0.312 0.000 0.920 808 S CB -0.629 62.717 63.200 0.244 0.000 0.773 808 S HN 0.527 nan 8.310 nan 0.000 0.529 809 G N 2.653 111.510 108.800 0.095 0.000 2.440 809 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.218 809 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.218 809 G C 1.320 176.176 174.900 -0.073 0.000 1.154 809 G CA 0.936 46.054 45.100 0.031 0.000 0.767 809 G HN 0.597 nan 8.290 nan 0.000 0.552 810 K N -0.136 120.099 120.400 -0.275 0.000 2.281 810 K HA -0.041 4.271 4.320 -0.014 0.000 0.203 810 K C 1.132 177.399 176.600 -0.554 0.000 1.046 810 K CA 0.742 56.717 56.287 -0.519 0.000 0.938 810 K CB -0.254 31.759 32.500 -0.813 0.000 0.737 810 K HN 0.426 nan 8.250 nan 0.000 0.458 811 F N 0.681 120.660 119.950 0.048 0.000 2.645 811 F HA 0.154 4.672 4.527 -0.014 0.000 0.300 811 F C 0.756 176.599 175.800 0.071 0.000 1.115 811 F CA -0.636 57.398 58.000 0.057 0.000 1.355 811 F CB 0.507 39.537 39.000 0.050 0.000 1.026 811 F HN -0.137 nan 8.300 nan 0.000 0.536 812 S N 0.414 116.198 115.700 0.141 0.000 2.528 812 S HA 0.056 4.517 4.470 -0.014 0.000 0.277 812 S C 1.463 176.141 174.600 0.130 0.000 1.297 812 S CA -0.161 58.115 58.200 0.127 0.000 1.052 812 S CB 0.758 64.003 63.200 0.075 0.000 0.917 812 S HN 0.365 nan 8.310 nan 0.000 0.492 813 S N 3.478 119.281 115.700 0.171 0.000 2.469 813 S HA -0.095 4.367 4.470 -0.014 0.000 0.238 813 S C 1.007 175.658 174.600 0.085 0.000 0.998 813 S CA 0.787 59.109 58.200 0.202 0.000 0.957 813 S CB -0.363 63.036 63.200 0.332 0.000 0.764 813 S HN 0.798 nan 8.310 nan 0.000 0.514 814 D N 1.924 122.359 120.400 0.058 0.000 2.117 814 D HA -0.100 4.532 4.640 -0.014 0.000 0.197 814 D C 2.109 178.411 176.300 0.003 0.000 0.987 814 D CA 0.863 54.875 54.000 0.019 0.000 0.829 814 D CB -0.342 40.467 40.800 0.014 0.000 0.961 814 D HN 0.287 nan 8.370 nan 0.000 0.460 815 R N 0.799 121.303 120.500 0.006 0.000 2.070 815 R HA -0.099 4.233 4.340 -0.014 0.000 0.233 815 R C 1.985 178.275 176.300 -0.017 0.000 1.137 815 R CA 1.541 57.631 56.100 -0.017 0.000 0.945 815 R CB -0.867 29.410 30.300 -0.039 0.000 0.845 815 R HN 0.132 nan 8.270 nan 0.000 0.430 816 T N 2.234 116.802 114.554 0.023 0.000 2.635 816 T HA -0.150 4.191 4.350 -0.014 0.000 0.267 816 T C 1.927 176.632 174.700 0.008 0.000 1.040 816 T CA 1.523 63.656 62.100 0.055 0.000 1.156 816 T CB -0.146 68.837 68.868 0.191 0.000 0.863 816 T HN 0.120 nan 8.240 nan 0.000 0.430 817 I N 1.552 122.052 120.570 -0.118 0.000 2.315 817 I HA -0.058 4.104 4.170 -0.014 0.000 0.248 817 I C 2.936 179.009 176.117 -0.075 0.000 1.117 817 I CA 0.886 62.077 61.300 -0.181 0.000 1.404 817 I CB -1.642 36.236 38.000 -0.203 0.000 1.071 817 I HN 0.198 nan 8.210 nan 0.000 0.419 818 A N 0.253 123.047 122.820 -0.044 0.000 1.940 818 A HA -0.254 4.058 4.320 -0.014 0.000 0.219 818 A C 2.258 179.798 177.584 -0.073 0.000 1.176 818 A CA 1.579 53.597 52.037 -0.033 0.000 0.631 818 A CB -0.590 18.396 19.000 -0.023 0.000 0.814 818 A HN 0.509 nan 8.150 nan 0.000 0.446 819 Q N -1.843 117.895 119.800 -0.103 0.000 2.046 819 Q HA -0.174 4.158 4.340 -0.014 0.000 0.200 819 Q C 1.962 177.788 176.000 -0.290 0.000 0.975 819 Q CA 1.713 57.414 55.803 -0.171 0.000 0.836 819 Q CB -0.326 28.303 28.738 -0.182 0.000 0.896 819 Q HN 0.823 nan 8.270 nan 0.000 0.428 820 Y N 0.538 120.547 120.300 -0.485 0.000 2.128 820 Y HA -0.314 4.228 4.550 -0.014 0.000 0.284 820 Y C 2.479 177.808 175.900 -0.953 0.000 1.154 820 Y CA 1.303 58.855 58.100 -0.914 0.000 1.149 820 Y CB -0.476 37.117 38.460 -1.444 0.000 0.976 820 Y HN 0.172 nan 8.280 nan 0.000 0.505 821 A N 0.288 122.880 122.820 -0.381 0.000 1.865 821 A HA -0.237 4.075 4.320 -0.014 0.000 0.217 821 A C 2.231 179.824 177.584 0.015 0.000 1.191 821 A CA 2.147 54.202 52.037 0.029 0.000 0.623 821 A CB -0.590 18.502 19.000 0.154 0.000 0.826 821 A HN 0.445 nan 8.150 nan 0.000 0.444 822 R N -0.767 119.704 120.500 -0.048 0.000 2.075 822 R HA -0.015 4.316 4.340 -0.014 0.000 0.226 822 R C 1.898 178.174 176.300 -0.041 0.000 1.114 822 R CA 1.456 57.542 56.100 -0.024 0.000 0.972 822 R CB -0.180 30.102 30.300 -0.030 0.000 0.869 822 R HN 0.650 nan 8.270 nan 0.000 0.437 823 E N -0.406 119.728 120.200 -0.110 0.000 2.415 823 E HA 0.084 4.425 4.350 -0.014 0.000 0.197 823 E C 1.453 178.001 176.600 -0.086 0.000 1.007 823 E CA 0.468 56.808 56.400 -0.101 0.000 0.890 823 E CB 0.516 30.129 29.700 -0.145 0.000 0.891 823 E HN 0.298 nan 8.360 nan 0.000 0.496 824 I N -1.138 119.341 120.570 -0.152 0.000 3.570 824 I HA 0.018 4.180 4.170 -0.014 0.000 0.270 824 I C 1.354 177.602 176.117 0.219 0.000 1.162 824 I CA -0.040 61.228 61.300 -0.054 0.000 1.413 824 I CB 0.220 38.044 38.000 -0.293 0.000 1.437 824 I HN 0.115 nan 8.210 nan 0.000 0.457 825 W N 1.421 122.817 121.300 0.161 0.000 2.737 825 W HA 0.345 4.997 4.660 -0.014 0.000 0.262 825 W C 1.455 178.015 176.519 0.068 0.000 1.282 825 W CA 0.782 58.205 57.345 0.130 0.000 1.386 825 W CB -1.026 28.499 29.460 0.109 0.000 1.099 825 W HN 0.316 nan 8.180 nan 0.000 0.621 826 G N 1.164 110.105 108.800 0.235 0.000 2.248 826 G HA2 -0.101 3.851 3.960 -0.014 0.000 0.263 826 G HA3 -0.101 3.851 3.960 -0.014 0.000 0.263 826 G C -0.337 174.635 174.900 0.121 0.000 1.082 826 G CA 0.183 45.362 45.100 0.131 0.000 0.863 826 G HN 0.376 nan 8.290 nan 0.000 0.495 827 V N -4.386 115.618 119.914 0.150 0.000 3.040 827 V HA 0.924 5.036 4.120 -0.014 0.000 0.312 827 V C -0.414 175.739 176.094 0.097 0.000 1.115 827 V CA -1.680 60.690 62.300 0.117 0.000 0.998 827 V CB 2.334 34.236 31.823 0.131 0.000 1.042 827 V HN 0.123 nan 8.190 nan 0.000 0.433 828 E N 3.318 123.560 120.200 0.070 0.000 2.134 828 E HA 0.515 4.857 4.350 -0.014 0.000 0.278 828 E C -2.534 174.102 176.600 0.060 0.000 0.959 828 E CA -1.768 54.666 56.400 0.056 0.000 0.783 828 E CB 1.808 31.533 29.700 0.041 0.000 1.095 828 E HN 0.728 nan 8.360 nan 0.000 0.399 829 P HA 0.062 nan 4.420 nan 0.000 0.270 829 P C -0.429 176.899 177.300 0.046 0.000 1.223 829 P CA -0.244 62.889 63.100 0.054 0.000 0.785 829 P CB 0.853 32.579 31.700 0.044 0.000 0.923 830 S N 0.649 116.378 115.700 0.048 0.000 2.540 830 S HA 0.374 4.836 4.470 -0.014 0.000 0.275 830 S C 0.344 174.967 174.600 0.039 0.000 1.123 830 S CA -0.785 57.441 58.200 0.044 0.000 0.907 830 S CB 1.143 64.376 63.200 0.055 0.000 1.081 830 S HN 0.272 nan 8.310 nan 0.000 0.476 831 R N 2.066 122.585 120.500 0.032 0.000 2.393 831 R HA 0.204 4.536 4.340 -0.014 0.000 0.244 831 R C -0.136 176.175 176.300 0.019 0.000 0.920 831 R CA 0.005 56.123 56.100 0.029 0.000 1.076 831 R CB 0.185 30.503 30.300 0.029 0.000 1.119 831 R HN 0.681 nan 8.270 nan 0.000 0.524 832 Q N 1.161 120.972 119.800 0.018 0.000 2.313 832 Q HA 0.128 4.459 4.340 -0.014 0.000 0.266 832 Q C -0.272 175.721 176.000 -0.012 0.000 0.989 832 Q CA -0.009 55.798 55.803 0.006 0.000 0.890 832 Q CB 0.908 29.654 28.738 0.014 0.000 1.200 832 Q HN -0.230 nan 8.270 nan 0.000 0.396 833 R N 1.691 122.175 120.500 -0.026 0.000 2.570 833 R HA 0.131 4.463 4.340 -0.014 0.000 0.277 833 R C -0.418 175.839 176.300 -0.072 0.000 1.039 833 R CA 0.185 56.256 56.100 -0.049 0.000 1.065 833 R CB 0.271 30.542 30.300 -0.049 0.000 0.964 833 R HN 0.501 nan 8.270 nan 0.000 0.428 834 L N 5.909 127.070 121.223 -0.104 0.000 2.395 834 L HA 0.363 4.695 4.340 -0.014 0.000 0.269 834 L C -1.675 175.131 176.870 -0.107 0.000 1.133 834 L CA -2.066 52.680 54.840 -0.157 0.000 0.812 834 L CB 1.060 42.984 42.059 -0.225 0.000 1.125 834 L HN 0.477 nan 8.230 nan 0.000 0.452 835 P HA 0.044 nan 4.420 nan 0.000 0.265 835 P C -0.757 176.512 177.300 -0.052 0.000 1.193 835 P CA -0.143 62.921 63.100 -0.060 0.000 0.765 835 P CB 0.789 32.461 31.700 -0.048 0.000 0.823 836 A N 0.000 122.798 122.820 -0.037 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.022 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.021 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486