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 2skd_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.105 176.117 -0.020 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.036 0.000 1.566 13 I CB 0.000 37.969 38.000 -0.051 0.000 1.214 14 S N -0.034 115.659 115.700 -0.012 0.000 2.664 14 S HA 0.233 4.697 4.470 -0.009 0.000 0.271 14 S C -1.333 173.269 174.600 0.003 0.000 0.950 14 S CA -0.146 58.054 58.200 0.001 0.000 1.008 14 S CB 0.657 63.858 63.200 0.002 0.000 1.279 14 S HN 0.115 nan 8.310 nan 0.000 0.462 15 V N 3.457 123.380 119.914 0.015 0.000 2.525 15 V HA 0.404 4.518 4.120 -0.009 0.000 0.326 15 V C 1.028 177.130 176.094 0.013 0.000 1.477 15 V CA -0.247 62.062 62.300 0.015 0.000 1.579 15 V CB -0.608 31.233 31.823 0.029 0.000 1.489 15 V HN 0.600 nan 8.190 nan 0.000 0.541 16 R N 1.972 122.472 120.500 0.001 0.000 2.480 16 R HA 0.474 4.808 4.340 -0.009 0.000 0.277 16 R C 1.025 177.314 176.300 -0.017 0.000 1.008 16 R CA 0.498 56.596 56.100 -0.004 0.000 1.090 16 R CB 0.485 30.779 30.300 -0.010 0.000 1.234 16 R HN 0.751 nan 8.270 nan 0.000 0.549 17 G N 0.790 109.580 108.800 -0.017 0.000 2.631 17 G HA2 -0.207 3.748 3.960 -0.009 0.000 0.504 17 G HA3 -0.207 3.748 3.960 -0.009 0.000 0.504 17 G C -1.124 173.759 174.900 -0.028 0.000 1.306 17 G CA -1.060 44.022 45.100 -0.030 0.000 0.897 17 G HN 0.029 nan 8.290 nan 0.000 0.520 18 L N 0.602 121.806 121.223 -0.031 0.000 2.334 18 L HA 0.705 5.039 4.340 -0.009 0.000 0.277 18 L C 1.292 178.146 176.870 -0.027 0.000 1.075 18 L CA 0.141 54.965 54.840 -0.026 0.000 0.804 18 L CB 1.139 43.185 42.059 -0.023 0.000 1.174 18 L HN 1.527 nan 8.230 nan 0.000 0.438 19 A N 2.813 125.619 122.820 -0.024 0.000 3.175 19 A HA 0.561 4.875 4.320 -0.009 0.000 0.289 19 A C 0.825 178.401 177.584 -0.014 0.000 1.429 19 A CA -0.275 51.749 52.037 -0.022 0.000 1.155 19 A CB -0.755 18.228 19.000 -0.028 0.000 1.169 19 A HN 0.786 nan 8.150 nan 0.000 0.574 20 G N -0.345 108.449 108.800 -0.011 0.000 2.559 20 G HA2 0.298 4.253 3.960 -0.009 0.000 0.235 20 G HA3 0.298 4.253 3.960 -0.009 0.000 0.235 20 G C 1.022 175.923 174.900 0.003 0.000 1.266 20 G CA 0.078 45.176 45.100 -0.004 0.000 0.847 20 G HN 0.410 nan 8.290 nan 0.000 0.583 21 V N 1.729 121.646 119.914 0.005 0.000 2.261 21 V HA -0.151 3.963 4.120 -0.009 0.000 0.246 21 V C 2.687 178.789 176.094 0.015 0.000 1.047 21 V CA 2.359 64.664 62.300 0.009 0.000 1.015 21 V CB -0.733 31.095 31.823 0.007 0.000 0.642 21 V HN 0.759 nan 8.190 nan 0.000 0.446 22 E N 0.354 120.564 120.200 0.016 0.000 2.110 22 E HA -0.179 4.166 4.350 -0.009 0.000 0.193 22 E C 2.056 178.676 176.600 0.033 0.000 0.988 22 E CA 1.494 57.907 56.400 0.023 0.000 0.804 22 E CB -0.288 29.425 29.700 0.021 0.000 0.745 22 E HN 0.635 nan 8.360 nan 0.000 0.458 23 N N -1.220 117.500 118.700 0.033 0.000 2.354 23 N HA -0.070 4.664 4.740 -0.009 0.000 0.179 23 N C 1.367 176.905 175.510 0.046 0.000 1.021 23 N CA 0.442 53.520 53.050 0.047 0.000 0.887 23 N CB 0.318 38.825 38.487 0.032 0.000 0.974 23 N HN -0.047 nan 8.380 nan 0.000 0.437 24 V N -0.059 119.873 119.914 0.029 0.000 2.548 24 V HA -0.162 3.952 4.120 -0.009 0.000 0.249 24 V C 1.861 177.976 176.094 0.036 0.000 1.055 24 V CA 1.613 63.930 62.300 0.027 0.000 1.065 24 V CB -0.566 31.267 31.823 0.016 0.000 0.681 24 V HN 0.398 nan 8.190 nan 0.000 0.462 25 T N -0.503 114.072 114.554 0.035 0.000 2.812 25 T HA -0.168 4.177 4.350 -0.009 0.000 0.264 25 T C 1.893 176.625 174.700 0.054 0.000 1.042 25 T CA 1.564 63.685 62.100 0.036 0.000 1.140 25 T CB -0.101 68.784 68.868 0.028 0.000 0.870 25 T HN 0.488 nan 8.240 nan 0.000 0.445 26 E N 0.901 121.140 120.200 0.066 0.000 2.072 26 E HA -0.078 4.266 4.350 -0.009 0.000 0.191 26 E C 1.922 178.596 176.600 0.124 0.000 0.985 26 E CA 0.756 57.207 56.400 0.086 0.000 0.801 26 E CB -0.497 29.260 29.700 0.094 0.000 0.750 26 E HN 0.148 nan 8.360 nan 0.000 0.452 27 L N 1.003 122.309 121.223 0.138 0.000 2.012 27 L HA -0.140 4.194 4.340 -0.009 0.000 0.210 27 L C 2.175 179.155 176.870 0.183 0.000 1.073 27 L CA 1.870 56.819 54.840 0.182 0.000 0.748 27 L CB -0.865 41.273 42.059 0.131 0.000 0.891 27 L HN 0.107 nan 8.230 nan 0.000 0.431 28 K N -0.167 120.299 120.400 0.111 0.000 2.063 28 K HA -0.224 4.090 4.320 -0.009 0.000 0.208 28 K C 1.953 178.645 176.600 0.154 0.000 1.048 28 K CA 1.942 58.282 56.287 0.088 0.000 0.928 28 K CB -0.108 32.403 32.500 0.018 0.000 0.713 28 K HN 0.442 nan 8.250 nan 0.000 0.442 29 K N 0.079 120.553 120.400 0.123 0.000 2.155 29 K HA -0.021 4.294 4.320 -0.009 0.000 0.203 29 K C 1.602 178.287 176.600 0.142 0.000 1.052 29 K CA 1.177 57.534 56.287 0.116 0.000 0.948 29 K CB -0.082 32.460 32.500 0.071 0.000 0.728 29 K HN 0.038 nan 8.250 nan 0.000 0.448 30 N N 0.608 119.405 118.700 0.163 0.000 2.270 30 N HA -0.094 4.641 4.740 -0.009 0.000 0.181 30 N C 1.559 177.229 175.510 0.266 0.000 1.016 30 N CA 0.855 53.997 53.050 0.153 0.000 0.870 30 N CB -0.183 38.409 38.487 0.175 0.000 0.979 30 N HN 0.182 nan 8.380 nan 0.000 0.431 31 F N 2.691 122.743 119.950 0.170 0.000 2.134 31 F HA -0.077 4.445 4.527 -0.009 0.000 0.299 31 F C 1.948 177.856 175.800 0.180 0.000 1.097 31 F CA 1.278 59.394 58.000 0.194 0.000 1.264 31 F CB -0.222 38.857 39.000 0.132 0.000 1.001 31 F HN -0.040 nan 8.300 nan 0.000 0.479 32 N N 0.331 119.281 118.700 0.415 0.000 2.270 32 N HA -0.134 4.601 4.740 -0.009 0.000 0.181 32 N C 2.104 177.717 175.510 0.172 0.000 1.016 32 N CA 0.652 53.870 53.050 0.280 0.000 0.870 32 N CB -0.448 38.169 38.487 0.217 0.000 0.979 32 N HN 0.331 nan 8.380 nan 0.000 0.431 33 R N 0.558 121.146 120.500 0.146 0.000 2.070 33 R HA -0.098 4.237 4.340 -0.009 0.000 0.233 33 R C 1.722 178.111 176.300 0.149 0.000 1.137 33 R CA 1.448 57.652 56.100 0.174 0.000 0.945 33 R CB -0.374 29.908 30.300 -0.031 0.000 0.845 33 R HN 0.436 nan 8.270 nan 0.000 0.430 34 H N -0.260 118.864 119.070 0.090 0.000 2.353 34 H HA -0.137 4.413 4.556 -0.010 0.000 0.300 34 H C 1.853 177.126 175.328 -0.092 0.000 1.090 34 H CA 1.421 57.446 56.048 -0.038 0.000 1.327 34 H CB -0.004 29.686 29.762 -0.121 0.000 1.383 34 H HN 0.077 nan 8.280 nan 0.000 0.508 35 L N -0.042 121.187 121.223 0.010 0.000 2.131 35 L HA -0.177 4.157 4.340 -0.009 0.000 0.210 35 L C 2.046 178.923 176.870 0.010 0.000 1.092 35 L CA 1.783 56.604 54.840 -0.030 0.000 0.759 35 L CB -0.348 41.717 42.059 0.009 0.000 0.903 35 L HN 0.305 nan 8.230 nan 0.000 0.435 36 H N -2.116 116.895 119.070 -0.098 0.000 2.316 36 H HA 0.036 4.587 4.556 -0.009 0.000 0.314 36 H C 1.779 176.904 175.328 -0.337 0.000 1.057 36 H CA 1.802 57.696 56.048 -0.258 0.000 1.402 36 H CB -0.233 29.297 29.762 -0.386 0.000 1.443 36 H HN 0.233 nan 8.280 nan 0.000 0.559 37 F N -0.203 119.743 119.950 -0.008 0.000 2.293 37 F HA -0.033 4.489 4.527 -0.010 0.000 0.297 37 F C 2.454 178.183 175.800 -0.118 0.000 1.089 37 F CA 1.448 59.393 58.000 -0.092 0.000 1.377 37 F CB -0.286 38.684 39.000 -0.049 0.000 1.051 37 F HN 0.189 nan 8.300 nan 0.000 0.511 38 T N -0.524 114.060 114.554 0.051 0.000 2.953 38 T HA 0.034 4.378 4.350 -0.009 0.000 0.247 38 T C 1.697 176.303 174.700 -0.158 0.000 1.029 38 T CA 0.614 62.670 62.100 -0.074 0.000 1.144 38 T CB -0.171 68.613 68.868 -0.139 0.000 0.870 38 T HN -0.057 nan 8.240 nan 0.000 0.446 39 L N 1.130 122.263 121.223 -0.150 0.000 2.446 39 L HA 0.273 4.607 4.340 -0.009 0.000 0.219 39 L C 0.692 177.472 176.870 -0.150 0.000 1.116 39 L CA 0.367 55.110 54.840 -0.160 0.000 0.844 39 L CB -0.715 41.264 42.059 -0.135 0.000 0.970 39 L HN 0.057 nan 8.230 nan 0.000 0.457 40 V N 0.147 119.957 119.914 -0.174 0.000 5.949 40 V HA -0.298 3.816 4.120 -0.009 0.000 0.287 40 V C 0.515 176.504 176.094 -0.175 0.000 0.603 40 V CA 0.825 62.991 62.300 -0.223 0.000 0.608 40 V CB -2.089 29.625 31.823 -0.183 0.000 0.259 40 V HN 0.393 nan 8.190 nan 0.000 0.742 41 K N 1.327 121.640 120.400 -0.145 0.000 2.433 41 K HA 0.709 5.023 4.320 -0.009 0.000 0.252 41 K C -0.620 175.964 176.600 -0.027 0.000 1.015 41 K CA -0.554 55.682 56.287 -0.086 0.000 0.860 41 K CB 2.740 35.192 32.500 -0.081 0.000 1.359 41 K HN 0.606 nan 8.250 nan 0.000 0.452 42 D N 0.334 120.736 120.400 0.004 0.000 2.738 42 D HA 0.258 4.893 4.640 -0.009 0.000 0.237 42 D C 0.546 176.885 176.300 0.066 0.000 1.123 42 D CA -0.589 53.445 54.000 0.057 0.000 0.856 42 D CB 1.574 42.402 40.800 0.046 0.000 1.552 42 D HN 0.184 nan 8.370 nan 0.000 0.480 43 R N 1.322 121.893 120.500 0.117 0.000 2.228 43 R HA -0.181 4.153 4.340 -0.009 0.000 0.264 43 R C 1.106 177.481 176.300 0.125 0.000 1.179 43 R CA 1.125 57.328 56.100 0.171 0.000 0.998 43 R CB -0.767 29.632 30.300 0.165 0.000 0.885 43 R HN 0.607 nan 8.270 nan 0.000 0.466 44 N N 0.438 119.182 118.700 0.073 0.000 2.494 44 N HA -0.064 4.670 4.740 -0.009 0.000 0.182 44 N C 1.266 176.795 175.510 0.031 0.000 1.076 44 N CA 1.296 54.377 53.050 0.052 0.000 0.908 44 N CB 0.425 38.933 38.487 0.035 0.000 0.967 44 N HN 0.208 nan 8.380 nan 0.000 0.449 45 V N -2.998 116.923 119.914 0.011 0.000 3.398 45 V HA 0.461 4.576 4.120 -0.009 0.000 0.298 45 V C 0.648 176.708 176.094 -0.057 0.000 1.496 45 V CA -0.651 61.640 62.300 -0.014 0.000 1.044 45 V CB -0.104 31.708 31.823 -0.019 0.000 0.880 45 V HN 0.016 nan 8.190 nan 0.000 0.443 46 A N 2.136 124.900 122.820 -0.093 0.000 2.450 46 A HA 0.615 4.929 4.320 -0.009 0.000 0.255 46 A C 0.714 178.084 177.584 -0.357 0.000 1.096 46 A CA 0.774 52.635 52.037 -0.293 0.000 0.778 46 A CB -0.025 18.701 19.000 -0.458 0.000 1.031 46 A HN 0.737 nan 8.150 nan 0.000 0.494 47 T N 0.266 114.623 114.554 -0.328 0.000 2.948 47 T HA 0.584 4.928 4.350 -0.009 0.000 0.285 47 T C -2.134 172.451 174.700 -0.192 0.000 1.019 47 T CA -1.844 60.154 62.100 -0.171 0.000 1.013 47 T CB 1.285 70.120 68.868 -0.055 0.000 1.117 47 T HN 0.232 nan 8.240 nan 0.000 0.533 48 P HA -0.090 nan 4.420 nan 0.000 0.217 48 P C 1.537 178.938 177.300 0.168 0.000 1.148 48 P CA 0.926 64.148 63.100 0.204 0.000 0.828 48 P CB 0.053 31.850 31.700 0.163 0.000 0.783 49 R N -0.048 120.506 120.500 0.090 0.000 2.092 49 R HA -0.120 4.215 4.340 -0.009 0.000 0.231 49 R C 1.616 178.088 176.300 0.288 0.000 1.119 49 R CA 1.631 57.826 56.100 0.159 0.000 0.970 49 R CB -0.588 29.760 30.300 0.079 0.000 0.864 49 R HN 0.086 nan 8.270 nan 0.000 0.440 50 D N -0.352 120.106 120.400 0.097 0.000 2.144 50 D HA -0.175 4.459 4.640 -0.009 0.000 0.200 50 D C 1.632 177.973 176.300 0.068 0.000 0.978 50 D CA 1.202 55.227 54.000 0.041 0.000 0.833 50 D CB -0.255 40.432 40.800 -0.189 0.000 0.961 50 D HN 0.291 nan 8.370 nan 0.000 0.470 51 Y N 0.086 120.487 120.300 0.169 0.000 2.242 51 Y HA -0.191 4.354 4.550 -0.009 0.000 0.291 51 Y C 2.295 178.302 175.900 0.178 0.000 1.137 51 Y CA 0.181 58.414 58.100 0.221 0.000 1.181 51 Y CB -1.086 37.574 38.460 0.334 0.000 0.989 51 Y HN 0.101 nan 8.280 nan 0.000 0.527 52 Y N -0.759 119.667 120.300 0.210 0.000 2.242 52 Y HA -0.221 4.323 4.550 -0.010 0.000 0.291 52 Y C 1.794 177.639 175.900 -0.092 0.000 1.137 52 Y CA 1.081 59.199 58.100 0.031 0.000 1.181 52 Y CB -0.963 37.414 38.460 -0.137 0.000 0.989 52 Y HN 0.007 nan 8.280 nan 0.000 0.527 53 F N 0.211 119.938 119.950 -0.372 0.000 2.206 53 F HA -0.010 4.512 4.527 -0.009 0.000 0.298 53 F C 2.615 178.237 175.800 -0.297 0.000 1.090 53 F CA 1.219 58.950 58.000 -0.448 0.000 1.323 53 F CB -0.989 37.926 39.000 -0.141 0.000 1.028 53 F HN 0.176 nan 8.300 nan 0.000 0.492 54 A N -0.192 122.536 122.820 -0.152 0.000 1.902 54 A HA -0.165 4.149 4.320 -0.009 0.000 0.217 54 A C 2.108 179.513 177.584 -0.297 0.000 1.181 54 A CA 1.560 53.377 52.037 -0.367 0.000 0.623 54 A CB -1.050 17.384 19.000 -0.944 0.000 0.818 54 A HN 0.329 nan 8.150 nan 0.000 0.443 55 L N -0.198 120.934 121.223 -0.151 0.000 2.027 55 L HA -0.029 4.305 4.340 -0.009 0.000 0.206 55 L C 2.700 179.535 176.870 -0.058 0.000 1.074 55 L CA 2.229 57.139 54.840 0.116 0.000 0.745 55 L CB -0.973 41.243 42.059 0.262 0.000 0.898 55 L HN 0.344 nan 8.230 nan 0.000 0.433 56 A N -1.227 121.390 122.820 -0.337 0.000 1.883 56 A HA -0.308 4.007 4.320 -0.009 0.000 0.217 56 A C 2.175 179.417 177.584 -0.569 0.000 1.186 56 A CA 2.147 53.877 52.037 -0.511 0.000 0.624 56 A CB -1.166 17.204 19.000 -1.050 0.000 0.822 56 A HN 0.691 nan 8.150 nan 0.000 0.444 57 H N -0.901 117.843 119.070 -0.544 0.000 2.387 57 H HA -0.052 4.499 4.556 -0.009 0.000 0.299 57 H C 2.319 177.348 175.328 -0.498 0.000 1.090 57 H CA 1.987 57.644 56.048 -0.652 0.000 1.332 57 H CB -0.095 29.058 29.762 -1.016 0.000 1.386 57 H HN 0.482 nan 8.280 nan 0.000 0.516 58 T N -0.522 113.950 114.554 -0.138 0.000 2.777 58 T HA -0.108 4.236 4.350 -0.009 0.000 0.266 58 T C 2.232 177.092 174.700 0.266 0.000 1.040 58 T CA 1.191 63.402 62.100 0.185 0.000 1.141 58 T CB -0.305 68.745 68.868 0.302 0.000 0.868 58 T HN 0.095 nan 8.240 nan 0.000 0.444 59 V N 1.738 121.776 119.914 0.207 0.000 2.379 59 V HA -0.098 4.016 4.120 -0.009 0.000 0.245 59 V C 2.629 178.908 176.094 0.307 0.000 1.044 59 V CA 1.478 63.948 62.300 0.285 0.000 1.036 59 V CB -0.608 31.380 31.823 0.274 0.000 0.664 59 V HN 0.383 nan 8.190 nan 0.000 0.453 60 R N 0.181 120.808 120.500 0.211 0.000 2.152 60 R HA -0.206 4.128 4.340 -0.009 0.000 0.232 60 R C 1.833 178.233 176.300 0.167 0.000 1.117 60 R CA 1.874 58.102 56.100 0.214 0.000 0.981 60 R CB -0.396 29.874 30.300 -0.049 0.000 0.870 60 R HN 0.442 nan 8.270 nan 0.000 0.451 61 D N 0.016 120.499 120.400 0.138 0.000 2.178 61 D HA -0.151 4.483 4.640 -0.009 0.000 0.201 61 D C 1.644 177.953 176.300 0.015 0.000 0.980 61 D CA 1.061 55.110 54.000 0.081 0.000 0.842 61 D CB -0.284 40.554 40.800 0.064 0.000 0.948 61 D HN 0.435 nan 8.370 nan 0.000 0.472 62 H N -0.322 118.810 119.070 0.104 0.000 2.524 62 H HA 0.014 4.564 4.556 -0.009 0.000 0.282 62 H C 1.901 177.269 175.328 0.066 0.000 1.016 62 H CA 0.657 56.751 56.048 0.076 0.000 1.270 62 H CB 0.410 30.210 29.762 0.062 0.000 1.394 62 H HN 0.267 nan 8.280 nan 0.000 0.568 63 L N -1.262 120.066 121.223 0.175 0.000 2.766 63 L HA 0.178 4.512 4.340 -0.009 0.000 0.242 63 L C 1.879 178.854 176.870 0.175 0.000 1.136 63 L CA -0.001 54.911 54.840 0.120 0.000 0.933 63 L CB -0.028 42.053 42.059 0.038 0.000 1.241 63 L HN -0.118 nan 8.230 nan 0.000 0.522 64 V N -2.344 117.695 119.914 0.209 0.000 2.453 64 V HA 0.121 4.236 4.120 -0.009 0.000 0.247 64 V C 2.476 178.693 176.094 0.206 0.000 1.048 64 V CA 1.478 63.958 62.300 0.300 0.000 1.049 64 V CB -1.560 30.401 31.823 0.229 0.000 0.672 64 V HN 0.345 nan 8.190 nan 0.000 0.457 65 G N 0.156 109.029 108.800 0.121 0.000 2.418 65 G HA2 -0.212 3.743 3.960 -0.009 0.000 0.217 65 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.217 65 G C 1.814 176.761 174.900 0.079 0.000 1.158 65 G CA 0.891 46.035 45.100 0.073 0.000 0.771 65 G HN 0.487 nan 8.290 nan 0.000 0.545 66 R N -1.500 119.058 120.500 0.096 0.000 2.115 66 R HA -0.026 4.309 4.340 -0.009 0.000 0.226 66 R C 2.217 178.595 176.300 0.131 0.000 1.100 66 R CA 0.796 56.939 56.100 0.071 0.000 0.980 66 R CB -0.287 30.039 30.300 0.043 0.000 0.875 66 R HN 0.472 nan 8.270 nan 0.000 0.445 67 W N 1.371 122.648 121.300 -0.039 0.000 2.358 67 W HA -0.080 4.575 4.660 -0.009 0.000 0.303 67 W C 1.591 178.076 176.519 -0.057 0.000 1.208 67 W CA 0.969 58.286 57.345 -0.047 0.000 1.274 67 W CB -0.534 28.918 29.460 -0.012 0.000 1.138 67 W HN -0.030 nan 8.180 nan 0.000 0.515 68 I N 0.894 121.509 120.570 0.075 0.000 2.315 68 I HA -0.319 3.845 4.170 -0.009 0.000 0.248 68 I C 2.593 178.683 176.117 -0.046 0.000 1.117 68 I CA 1.654 62.913 61.300 -0.069 0.000 1.404 68 I CB -0.416 37.553 38.000 -0.052 0.000 1.071 68 I HN -0.038 nan 8.210 nan 0.000 0.419 69 R N -0.194 120.298 120.500 -0.013 0.000 2.119 69 R HA -0.016 4.318 4.340 -0.009 0.000 0.222 69 R C 2.029 178.287 176.300 -0.070 0.000 1.088 69 R CA 1.447 57.535 56.100 -0.022 0.000 0.984 69 R CB -1.176 29.116 30.300 -0.014 0.000 0.884 69 R HN 0.204 nan 8.270 nan 0.000 0.447 70 T N 1.672 116.152 114.554 -0.122 0.000 2.708 70 T HA -0.113 4.232 4.350 -0.009 0.000 0.266 70 T C 1.853 176.237 174.700 -0.527 0.000 1.037 70 T CA 1.277 63.175 62.100 -0.336 0.000 1.146 70 T CB -0.104 68.609 68.868 -0.259 0.000 0.865 70 T HN 0.189 nan 8.240 nan 0.000 0.435 71 Q N 0.724 120.374 119.800 -0.249 0.000 2.119 71 Q HA -0.053 4.281 4.340 -0.009 0.000 0.201 71 Q C 2.371 178.371 176.000 0.001 0.000 0.972 71 Q CA 1.226 56.959 55.803 -0.116 0.000 0.847 71 Q CB -0.523 28.173 28.738 -0.070 0.000 0.903 71 Q HN 0.464 nan 8.270 nan 0.000 0.433 72 Q N 0.090 119.886 119.800 -0.006 0.000 2.119 72 Q HA -0.170 4.164 4.340 -0.009 0.000 0.201 72 Q C 1.860 177.953 176.000 0.156 0.000 0.972 72 Q CA 1.904 57.755 55.803 0.080 0.000 0.847 72 Q CB -0.397 28.366 28.738 0.041 0.000 0.903 72 Q HN 0.566 nan 8.270 nan 0.000 0.433 73 H N -0.918 118.137 119.070 -0.025 0.000 2.290 73 H HA -0.184 4.366 4.556 -0.009 0.000 0.298 73 H C 1.200 176.617 175.328 0.149 0.000 1.087 73 H CA 2.388 58.441 56.048 0.008 0.000 1.291 73 H CB -0.338 29.365 29.762 -0.097 0.000 1.369 73 H HN 0.336 nan 8.280 nan 0.000 0.492 74 Y N -0.930 119.477 120.300 0.178 0.000 2.315 74 Y HA -0.226 4.319 4.550 -0.010 0.000 0.288 74 Y C 2.388 178.344 175.900 0.093 0.000 1.154 74 Y CA 1.065 59.234 58.100 0.114 0.000 1.229 74 Y CB -1.276 37.285 38.460 0.169 0.000 0.980 74 Y HN 0.428 nan 8.280 nan 0.000 0.540 75 Y N 0.948 121.346 120.300 0.163 0.000 2.286 75 Y HA -0.099 4.445 4.550 -0.010 0.000 0.293 75 Y C 2.026 177.943 175.900 0.028 0.000 1.124 75 Y CA 1.371 59.525 58.100 0.089 0.000 1.178 75 Y CB -0.025 38.472 38.460 0.061 0.000 1.010 75 Y HN 0.018 nan 8.280 nan 0.000 0.536 76 E N 0.299 120.443 120.200 -0.093 0.000 2.016 76 E HA -0.134 4.211 4.350 -0.009 0.000 0.190 76 E C 1.970 178.439 176.600 -0.219 0.000 0.985 76 E CA 1.011 57.289 56.400 -0.203 0.000 0.802 76 E CB -0.178 29.463 29.700 -0.097 0.000 0.762 76 E HN 0.318 nan 8.360 nan 0.000 0.448 77 K N 0.899 121.161 120.400 -0.229 0.000 2.148 77 K HA -0.104 4.210 4.320 -0.009 0.000 0.204 77 K C 0.223 176.763 176.600 -0.100 0.000 1.050 77 K CA 0.706 56.882 56.287 -0.185 0.000 0.942 77 K CB -0.554 31.789 32.500 -0.262 0.000 0.724 77 K HN 0.129 nan 8.250 nan 0.000 0.446 78 D N 0.311 120.673 120.400 -0.065 0.000 2.828 78 D HA -0.101 4.533 4.640 -0.009 0.000 0.241 78 D C -2.382 173.919 176.300 0.002 0.000 1.142 78 D CA 0.093 54.080 54.000 -0.021 0.000 0.755 78 D CB -0.234 40.531 40.800 -0.059 0.000 1.014 78 D HN 0.156 nan 8.370 nan 0.000 0.420 79 P HA 0.190 nan 4.420 nan 0.000 0.293 79 P C -0.314 176.965 177.300 -0.035 0.000 1.304 79 P CA -0.734 62.352 63.100 -0.023 0.000 0.767 79 P CB 0.557 32.227 31.700 -0.050 0.000 1.247 80 K N 0.685 121.061 120.400 -0.040 0.000 2.412 80 K HA 0.113 4.427 4.320 -0.009 0.000 0.281 80 K C -0.200 176.321 176.600 -0.133 0.000 1.027 80 K CA -0.120 56.133 56.287 -0.057 0.000 0.989 80 K CB 0.212 32.694 32.500 -0.030 0.000 0.935 80 K HN 0.190 nan 8.250 nan 0.000 0.475 81 R N 3.849 124.249 120.500 -0.166 0.000 2.312 81 R HA 0.334 4.669 4.340 -0.009 0.000 0.311 81 R C -0.564 175.457 176.300 -0.465 0.000 1.004 81 R CA -0.455 55.467 56.100 -0.297 0.000 0.902 81 R CB 0.800 30.919 30.300 -0.303 0.000 1.073 81 R HN 0.529 nan 8.270 nan 0.000 0.457 82 I N 4.743 125.005 120.570 -0.515 0.000 2.321 82 I HA 0.216 4.381 4.170 -0.009 0.000 0.291 82 I C -0.610 175.222 176.117 -0.476 0.000 0.998 82 I CA -0.754 60.187 61.300 -0.599 0.000 1.227 82 I CB 0.744 38.263 38.000 -0.802 0.000 1.368 82 I HN 0.513 nan 8.210 nan 0.000 0.466 83 Y N 5.863 126.130 120.300 -0.054 0.000 2.356 83 Y HA 0.283 4.828 4.550 -0.009 0.000 0.334 83 Y C -0.256 175.748 175.900 0.174 0.000 0.958 83 Y CA -0.732 57.462 58.100 0.157 0.000 1.196 83 Y CB 1.141 39.646 38.460 0.076 0.000 1.137 83 Y HN 0.404 nan 8.280 nan 0.000 0.485 84 Y N 4.657 125.154 120.300 0.328 0.000 2.518 84 Y HA 0.466 5.011 4.550 -0.009 0.000 0.344 84 Y C -1.151 175.018 175.900 0.449 0.000 0.982 84 Y CA -0.910 57.386 58.100 0.328 0.000 1.234 84 Y CB 0.213 38.868 38.460 0.325 0.000 1.114 84 Y HN 0.531 nan 8.280 nan 0.000 0.515 85 L N 4.839 126.131 121.223 0.115 0.000 2.290 85 L HA 0.461 4.795 4.340 -0.009 0.000 0.284 85 L C -0.134 176.748 176.870 0.020 0.000 1.078 85 L CA 0.291 55.239 54.840 0.180 0.000 0.815 85 L CB 1.253 43.379 42.059 0.112 0.000 1.162 85 L HN 0.577 nan 8.230 nan 0.000 0.435 86 S N 2.503 118.278 115.700 0.125 0.000 2.533 86 S HA 0.468 4.932 4.470 -0.009 0.000 0.271 86 S C 0.112 174.753 174.600 0.069 0.000 1.143 86 S CA -0.539 57.629 58.200 -0.054 0.000 0.891 86 S CB 0.998 63.953 63.200 -0.409 0.000 1.105 86 S HN 0.465 nan 8.310 nan 0.000 0.468 87 L N 2.780 124.104 121.223 0.168 0.000 2.591 87 L HA 0.468 4.802 4.340 -0.009 0.000 0.228 87 L C 0.362 177.400 176.870 0.280 0.000 1.133 87 L CA 0.958 55.965 54.840 0.278 0.000 0.880 87 L CB -0.038 42.206 42.059 0.308 0.000 1.033 87 L HN 0.647 nan 8.230 nan 0.000 0.450 88 E N -1.325 118.909 120.200 0.058 0.000 2.292 88 E HA 0.408 4.753 4.350 -0.009 0.000 0.272 88 E C -1.440 175.033 176.600 -0.212 0.000 0.881 88 E CA -0.468 55.956 56.400 0.040 0.000 0.754 88 E CB 1.864 31.580 29.700 0.027 0.000 1.201 88 E HN -0.186 nan 8.360 nan 0.000 0.425 89 F N 2.257 122.309 119.950 0.169 0.000 2.949 89 F HA 0.171 4.692 4.527 -0.010 0.000 0.376 89 F C -0.905 174.979 175.800 0.139 0.000 1.205 89 F CA -0.662 57.429 58.000 0.153 0.000 1.155 89 F CB 0.786 39.870 39.000 0.140 0.000 1.495 89 F HN 0.489 nan 8.300 nan 0.000 0.551 90 Y N 4.969 125.358 120.300 0.148 0.000 2.570 90 Y HA 0.166 4.710 4.550 -0.009 0.000 0.336 90 Y C 1.196 177.124 175.900 0.047 0.000 1.284 90 Y CA -0.783 57.351 58.100 0.057 0.000 1.761 90 Y CB 0.212 38.689 38.460 0.027 0.000 1.724 90 Y HN 0.502 nan 8.280 nan 0.000 0.455 91 M N 0.981 120.714 119.600 0.221 0.000 2.156 91 M HA 0.090 4.565 4.480 -0.009 0.000 0.264 91 M C 1.553 177.835 176.300 -0.031 0.000 1.067 91 M CA 1.255 56.593 55.300 0.064 0.000 1.131 91 M CB -1.285 31.327 32.600 0.019 0.000 1.368 91 M HN 0.631 nan 8.290 nan 0.000 0.416 92 G N 0.732 109.523 108.800 -0.014 0.000 2.632 92 G HA2 -0.244 3.710 3.960 -0.009 0.000 0.224 92 G HA3 -0.244 3.710 3.960 -0.009 0.000 0.224 92 G C -0.547 174.315 174.900 -0.063 0.000 1.341 92 G CA -0.447 44.608 45.100 -0.075 0.000 0.880 92 G HN 0.441 nan 8.290 nan 0.000 0.566 93 R N -0.488 119.960 120.500 -0.087 0.000 2.641 93 R HA 0.527 4.861 4.340 -0.009 0.000 0.269 93 R C 1.564 177.762 176.300 -0.171 0.000 1.074 93 R CA 0.535 56.594 56.100 -0.068 0.000 1.133 93 R CB 0.775 31.036 30.300 -0.065 0.000 1.029 93 R HN 0.873 nan 8.270 nan 0.000 0.488 94 T N 0.509 114.911 114.554 -0.253 0.000 3.040 94 T HA 0.053 4.397 4.350 -0.009 0.000 0.266 94 T C 1.129 175.432 174.700 -0.661 0.000 1.005 94 T CA -0.254 61.508 62.100 -0.564 0.000 0.906 94 T CB 0.181 68.499 68.868 -0.916 0.000 1.082 94 T HN 0.359 nan 8.240 nan 0.000 0.531 95 L N 1.532 122.622 121.223 -0.221 0.000 2.023 95 L HA 0.232 4.566 4.340 -0.009 0.000 0.205 95 L C 2.601 179.443 176.870 -0.047 0.000 1.073 95 L CA 2.063 56.918 54.840 0.025 0.000 0.745 95 L CB -0.815 41.470 42.059 0.377 0.000 0.900 95 L HN 0.369 nan 8.230 nan 0.000 0.435 96 Q N -0.661 119.107 119.800 -0.052 0.000 2.079 96 Q HA -0.246 4.089 4.340 -0.009 0.000 0.200 96 Q C 2.167 178.098 176.000 -0.116 0.000 0.974 96 Q CA 1.773 57.538 55.803 -0.063 0.000 0.840 96 Q CB -0.328 28.371 28.738 -0.066 0.000 0.898 96 Q HN 0.684 nan 8.270 nan 0.000 0.430 97 N N -0.929 117.663 118.700 -0.181 0.000 2.205 97 N HA -0.135 4.599 4.740 -0.009 0.000 0.186 97 N C 1.192 176.594 175.510 -0.180 0.000 1.015 97 N CA 1.674 54.606 53.050 -0.196 0.000 0.862 97 N CB 0.109 38.444 38.487 -0.253 0.000 0.986 97 N HN 0.232 nan 8.380 nan 0.000 0.429 98 T N 0.880 115.298 114.554 -0.226 0.000 2.896 98 T HA 0.034 4.378 4.350 -0.009 0.000 0.263 98 T C 2.040 176.676 174.700 -0.106 0.000 1.050 98 T CA 0.672 62.653 62.100 -0.199 0.000 1.140 98 T CB 0.046 68.750 68.868 -0.273 0.000 0.877 98 T HN 0.236 nan 8.240 nan 0.000 0.457 99 M N 0.592 120.146 119.600 -0.077 0.000 2.132 99 M HA -0.073 4.402 4.480 -0.009 0.000 0.263 99 M C 2.441 178.707 176.300 -0.056 0.000 1.065 99 M CA 1.251 56.520 55.300 -0.052 0.000 1.122 99 M CB -0.526 32.059 32.600 -0.024 0.000 1.365 99 M HN 0.092 nan 8.290 nan 0.000 0.411 100 V N 0.909 120.795 119.914 -0.046 0.000 2.295 100 V HA -0.265 3.849 4.120 -0.009 0.000 0.246 100 V C 1.739 177.849 176.094 0.025 0.000 1.049 100 V CA 1.834 64.133 62.300 -0.002 0.000 1.024 100 V CB -0.852 30.969 31.823 -0.003 0.000 0.648 100 V HN 0.473 nan 8.190 nan 0.000 0.447 101 N N -0.412 118.286 118.700 -0.002 0.000 2.459 101 N HA -0.022 4.712 4.740 -0.009 0.000 0.181 101 N C 1.043 176.462 175.510 -0.152 0.000 1.046 101 N CA 0.641 53.675 53.050 -0.025 0.000 0.904 101 N CB -0.017 38.460 38.487 -0.016 0.000 0.964 101 N HN 0.277 nan 8.380 nan 0.000 0.444 102 L N -0.117 121.033 121.223 -0.122 0.000 2.728 102 L HA 0.417 4.751 4.340 -0.009 0.000 0.238 102 L C 0.389 177.179 176.870 -0.133 0.000 1.143 102 L CA -0.347 54.420 54.840 -0.122 0.000 0.937 102 L CB -0.858 41.151 42.059 -0.084 0.000 1.225 102 L HN 0.082 nan 8.230 nan 0.000 0.507 103 A N -0.381 122.357 122.820 -0.136 0.000 2.687 103 A HA -0.223 4.092 4.320 -0.009 0.000 0.299 103 A C 1.062 178.588 177.584 -0.096 0.000 1.497 103 A CA 0.997 52.966 52.037 -0.113 0.000 0.751 103 A CB -1.852 17.067 19.000 -0.134 0.000 1.048 103 A HN 0.248 nan 8.150 nan 0.000 0.464 104 L N -1.057 120.110 121.223 -0.093 0.000 2.701 104 L HA 0.258 4.592 4.340 -0.009 0.000 0.238 104 L C 1.836 178.668 176.870 -0.063 0.000 1.106 104 L CA 1.498 56.275 54.840 -0.104 0.000 0.898 104 L CB -0.206 41.764 42.059 -0.148 0.000 1.188 104 L HN 0.620 nan 8.230 nan 0.000 0.508 105 E N -0.106 120.067 120.200 -0.043 0.000 2.086 105 E HA -0.274 4.071 4.350 -0.009 0.000 0.200 105 E C 1.574 178.161 176.600 -0.021 0.000 1.012 105 E CA 1.751 58.137 56.400 -0.024 0.000 0.812 105 E CB 0.223 29.912 29.700 -0.019 0.000 0.743 105 E HN 0.400 nan 8.360 nan 0.000 0.453 106 N N -0.253 118.431 118.700 -0.027 0.000 2.171 106 N HA -0.086 4.649 4.740 -0.009 0.000 0.184 106 N C 1.526 177.020 175.510 -0.028 0.000 1.021 106 N CA 1.233 54.266 53.050 -0.029 0.000 0.854 106 N CB -0.415 38.053 38.487 -0.031 0.000 0.994 106 N HN 0.230 nan 8.380 nan 0.000 0.426 107 A N 0.208 123.010 122.820 -0.030 0.000 1.908 107 A HA -0.155 4.159 4.320 -0.009 0.000 0.218 107 A C 2.625 180.202 177.584 -0.012 0.000 1.181 107 A CA 1.363 53.385 52.037 -0.025 0.000 0.627 107 A CB -1.029 17.949 19.000 -0.038 0.000 0.818 107 A HN 0.443 nan 8.150 nan 0.000 0.445 108 C N -1.000 118.293 119.300 -0.011 0.000 2.450 108 C HA -0.042 4.412 4.460 -0.009 0.000 0.279 108 C C 2.452 177.452 174.990 0.017 0.000 1.335 108 C CA 1.032 60.059 59.018 0.014 0.000 1.749 108 C CB -1.003 26.754 27.740 0.028 0.000 1.963 108 C HN 0.667 nan 8.230 nan 0.000 0.501 109 D N 0.666 121.071 120.400 0.009 0.000 2.117 109 D HA -0.127 4.507 4.640 -0.009 0.000 0.198 109 D C 2.128 178.442 176.300 0.023 0.000 0.982 109 D CA 1.405 55.412 54.000 0.013 0.000 0.828 109 D CB -0.207 40.587 40.800 -0.010 0.000 0.967 109 D HN 0.472 nan 8.370 nan 0.000 0.464 110 E N 0.540 120.741 120.200 0.001 0.000 2.017 110 E HA -0.088 4.257 4.350 -0.009 0.000 0.193 110 E C 1.928 178.568 176.600 0.067 0.000 0.997 110 E CA 1.794 58.204 56.400 0.017 0.000 0.804 110 E CB -0.628 29.067 29.700 -0.010 0.000 0.757 110 E HN 0.173 nan 8.360 nan 0.000 0.448 111 A N -0.093 122.738 122.820 0.019 0.000 1.892 111 A HA -0.256 4.058 4.320 -0.009 0.000 0.218 111 A C 2.526 180.055 177.584 -0.091 0.000 1.188 111 A CA 3.213 55.239 52.037 -0.019 0.000 0.631 111 A CB -1.626 17.365 19.000 -0.015 0.000 0.822 111 A HN 0.554 nan 8.150 nan 0.000 0.447 112 T N -3.769 110.727 114.554 -0.096 0.000 2.867 112 T HA -0.208 4.137 4.350 -0.009 0.000 0.268 112 T C 1.818 176.443 174.700 -0.124 0.000 1.057 112 T CA 1.518 63.499 62.100 -0.199 0.000 1.136 112 T CB -0.571 68.228 68.868 -0.114 0.000 0.874 112 T HN 0.505 nan 8.240 nan 0.000 0.466 113 Y N 2.066 122.290 120.300 -0.126 0.000 2.145 113 Y HA -0.101 4.444 4.550 -0.009 0.000 0.286 113 Y C 2.699 178.536 175.900 -0.105 0.000 1.145 113 Y CA 1.644 59.687 58.100 -0.095 0.000 1.148 113 Y CB -0.489 37.934 38.460 -0.061 0.000 0.981 113 Y HN 0.216 nan 8.280 nan 0.000 0.507 114 Q N -0.769 119.021 119.800 -0.018 0.000 2.226 114 Q HA -0.152 4.183 4.340 -0.009 0.000 0.204 114 Q C 1.669 177.552 176.000 -0.196 0.000 0.975 114 Q CA 1.040 56.781 55.803 -0.105 0.000 0.866 114 Q CB -0.119 28.618 28.738 -0.002 0.000 0.915 114 Q HN 0.361 nan 8.270 nan 0.000 0.440 115 L N -0.758 120.322 121.223 -0.238 0.000 2.610 115 L HA 0.088 4.422 4.340 -0.009 0.000 0.232 115 L C 1.131 177.820 176.870 -0.303 0.000 1.149 115 L CA 1.405 56.067 54.840 -0.298 0.000 0.872 115 L CB -0.628 41.134 42.059 -0.494 0.000 0.992 115 L HN 0.359 nan 8.230 nan 0.000 0.447 116 G N -0.253 108.359 108.800 -0.313 0.000 2.160 116 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.244 116 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.244 116 G C 0.049 174.799 174.900 -0.251 0.000 1.022 116 G CA 0.370 45.291 45.100 -0.298 0.000 0.741 116 G HN 0.309 nan 8.290 nan 0.000 0.508 117 L N -0.466 120.612 121.223 -0.242 0.000 2.341 117 L HA 0.638 4.972 4.340 -0.009 0.000 0.267 117 L C -0.536 176.300 176.870 -0.058 0.000 1.009 117 L CA -1.236 53.503 54.840 -0.168 0.000 0.819 117 L CB 1.865 43.773 42.059 -0.251 0.000 1.323 117 L HN 0.065 nan 8.230 nan 0.000 0.425 118 D N 1.676 122.077 120.400 0.001 0.000 2.359 118 D HA 0.181 4.816 4.640 -0.009 0.000 0.230 118 D C 0.593 176.930 176.300 0.062 0.000 1.118 118 D CA -0.240 53.789 54.000 0.049 0.000 0.844 118 D CB 1.606 42.439 40.800 0.055 0.000 1.059 118 D HN 0.526 nan 8.370 nan 0.000 0.493 119 M N 3.300 122.940 119.600 0.066 0.000 2.159 119 M HA -0.148 4.326 4.480 -0.009 0.000 0.263 119 M C 1.429 177.779 176.300 0.083 0.000 1.063 119 M CA 1.540 56.889 55.300 0.080 0.000 1.110 119 M CB 0.185 32.826 32.600 0.068 0.000 1.374 119 M HN 0.423 nan 8.290 nan 0.000 0.411 120 E N -0.241 119.999 120.200 0.067 0.000 2.110 120 E HA -0.262 4.083 4.350 -0.009 0.000 0.193 120 E C 1.853 178.491 176.600 0.063 0.000 0.988 120 E CA 1.415 57.850 56.400 0.059 0.000 0.804 120 E CB -0.134 29.598 29.700 0.054 0.000 0.745 120 E HN 0.635 nan 8.360 nan 0.000 0.458 121 E N 0.240 120.481 120.200 0.069 0.000 2.150 121 E HA -0.184 4.161 4.350 -0.009 0.000 0.193 121 E C 1.837 178.481 176.600 0.073 0.000 0.985 121 E CA 0.510 56.951 56.400 0.067 0.000 0.814 121 E CB 0.210 29.952 29.700 0.071 0.000 0.752 121 E HN 0.083 nan 8.360 nan 0.000 0.466 122 L N 1.120 122.408 121.223 0.109 0.000 2.156 122 L HA -0.067 4.267 4.340 -0.009 0.000 0.208 122 L C 2.017 178.944 176.870 0.095 0.000 1.095 122 L CA 1.495 56.430 54.840 0.159 0.000 0.770 122 L CB -0.457 41.753 42.059 0.252 0.000 0.914 122 L HN 0.095 nan 8.230 nan 0.000 0.439 123 E N -0.608 119.641 120.200 0.081 0.000 2.110 123 E HA -0.194 4.150 4.350 -0.009 0.000 0.193 123 E C 1.824 178.379 176.600 -0.074 0.000 0.988 123 E CA 0.812 57.229 56.400 0.028 0.000 0.804 123 E CB 0.078 29.805 29.700 0.043 0.000 0.745 123 E HN 0.368 nan 8.360 nan 0.000 0.458 124 E N 0.147 120.323 120.200 -0.040 0.000 2.338 124 E HA -0.135 4.209 4.350 -0.009 0.000 0.197 124 E C 1.786 178.316 176.600 -0.117 0.000 1.007 124 E CA 0.615 56.990 56.400 -0.042 0.000 0.849 124 E CB 0.039 29.749 29.700 0.016 0.000 0.774 124 E HN 0.402 nan 8.360 nan 0.000 0.506 125 I N 0.818 121.255 120.570 -0.222 0.000 2.876 125 I HA -0.091 4.073 4.170 -0.009 0.000 0.264 125 I C 1.307 177.097 176.117 -0.545 0.000 1.204 125 I CA 0.199 61.301 61.300 -0.330 0.000 1.485 125 I CB 0.157 37.974 38.000 -0.305 0.000 1.103 125 I HN -0.052 nan 8.210 nan 0.000 0.446 126 E N 2.394 122.166 120.200 -0.714 0.000 2.324 126 E HA -0.021 4.324 4.350 -0.009 0.000 0.271 126 E C -0.013 176.479 176.600 -0.179 0.000 1.028 126 E CA -0.219 55.806 56.400 -0.625 0.000 0.890 126 E CB 0.619 30.049 29.700 -0.451 0.000 1.004 126 E HN 0.096 nan 8.360 nan 0.000 0.431 127 E N 3.176 123.360 120.200 -0.026 0.000 2.354 127 E HA 0.057 4.401 4.350 -0.009 0.000 0.269 127 E C -1.053 175.655 176.600 0.179 0.000 1.036 127 E CA -0.299 56.176 56.400 0.124 0.000 0.876 127 E CB 0.770 30.621 29.700 0.251 0.000 1.009 127 E HN 0.392 nan 8.360 nan 0.000 0.416 128 D N 1.558 122.044 120.400 0.143 0.000 2.372 128 D HA 0.270 4.904 4.640 -0.009 0.000 0.243 128 D C -0.852 175.515 176.300 0.111 0.000 1.121 128 D CA 0.251 54.311 54.000 0.100 0.000 0.898 128 D CB 0.963 41.798 40.800 0.058 0.000 1.202 128 D HN 0.437 nan 8.370 nan 0.000 0.428 129 A N 1.976 124.809 122.820 0.020 0.000 2.798 129 A HA 0.479 4.794 4.320 -0.009 0.000 0.316 129 A C 0.890 178.341 177.584 -0.221 0.000 1.506 129 A CA -0.500 51.374 52.037 -0.270 0.000 1.162 129 A CB -0.268 18.653 19.000 -0.131 0.000 1.138 129 A HN 0.518 nan 8.150 nan 0.000 0.532 130 G N 1.682 110.314 108.800 -0.279 0.000 3.581 130 G HA2 0.396 4.351 3.960 -0.009 0.000 0.255 130 G HA3 0.396 4.351 3.960 -0.009 0.000 0.255 130 G C 0.325 175.029 174.900 -0.328 0.000 1.121 130 G CA -0.258 44.763 45.100 -0.131 0.000 1.739 130 G HN 0.684 nan 8.290 nan 0.000 0.646 131 L N 1.344 122.416 121.223 -0.251 0.000 2.939 131 L HA 0.379 4.713 4.340 -0.009 0.000 0.239 131 L C 1.039 177.844 176.870 -0.108 0.000 1.325 131 L CA -0.259 54.524 54.840 -0.095 0.000 1.170 131 L CB -0.321 41.791 42.059 0.089 0.000 1.538 131 L HN 0.311 nan 8.230 nan 0.000 0.452 132 G N -1.292 107.204 108.800 -0.506 0.000 2.677 132 G HA2 0.232 4.186 3.960 -0.009 0.000 0.291 132 G HA3 0.232 4.186 3.960 -0.009 0.000 0.291 132 G C -0.179 174.186 174.900 -0.891 0.000 1.435 132 G CA -0.427 44.305 45.100 -0.614 0.000 0.826 132 G HN -0.088 nan 8.290 nan 0.000 0.491 133 N N -0.811 117.628 118.700 -0.436 0.000 2.428 133 N HA 0.220 4.955 4.740 -0.009 0.000 0.181 133 N C 1.143 176.638 175.510 -0.025 0.000 1.028 133 N CA 1.271 54.183 53.050 -0.231 0.000 0.877 133 N CB 1.217 39.685 38.487 -0.032 0.000 1.064 133 N HN 0.790 nan 8.380 nan 0.000 0.434 134 G N -0.780 108.088 108.800 0.113 0.000 2.818 134 G HA2 0.237 4.191 3.960 -0.009 0.000 0.109 134 G HA3 0.237 4.191 3.960 -0.009 0.000 0.109 134 G C 0.754 175.780 174.900 0.210 0.000 1.206 134 G CA 0.268 45.528 45.100 0.266 0.000 1.243 134 G HN 0.170 nan 8.290 nan 0.000 0.609 135 G N 0.469 109.340 108.800 0.119 0.000 2.529 135 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.219 135 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.219 135 G C 1.892 176.785 174.900 -0.012 0.000 1.177 135 G CA 1.660 46.788 45.100 0.046 0.000 0.773 135 G HN 0.838 nan 8.290 nan 0.000 0.573 136 L N 0.571 121.756 121.223 -0.063 0.000 2.017 136 L HA 0.100 4.434 4.340 -0.009 0.000 0.208 136 L C 2.840 179.649 176.870 -0.102 0.000 1.073 136 L CA 2.063 56.778 54.840 -0.209 0.000 0.745 136 L CB -0.576 41.325 42.059 -0.263 0.000 0.894 136 L HN 0.238 nan 8.230 nan 0.000 0.432 137 G N -0.898 107.903 108.800 0.003 0.000 2.421 137 G HA2 -0.214 3.740 3.960 -0.009 0.000 0.217 137 G HA3 -0.214 3.740 3.960 -0.009 0.000 0.217 137 G C 1.709 176.703 174.900 0.157 0.000 1.143 137 G CA 0.145 45.277 45.100 0.053 0.000 0.784 137 G HN 0.169 nan 8.290 nan 0.000 0.541 138 R N -0.070 120.544 120.500 0.190 0.000 2.115 138 R HA 0.135 4.469 4.340 -0.009 0.000 0.226 138 R C 2.439 178.761 176.300 0.037 0.000 1.100 138 R CA 0.543 56.732 56.100 0.148 0.000 0.980 138 R CB -0.835 29.511 30.300 0.076 0.000 0.875 138 R HN 0.404 nan 8.270 nan 0.000 0.445 139 L N 0.791 121.964 121.223 -0.083 0.000 2.012 139 L HA -0.109 4.225 4.340 -0.009 0.000 0.210 139 L C 2.228 178.845 176.870 -0.422 0.000 1.073 139 L CA 2.218 56.869 54.840 -0.315 0.000 0.748 139 L CB -0.739 41.083 42.059 -0.396 0.000 0.891 139 L HN 0.174 nan 8.230 nan 0.000 0.431 140 A N -0.626 122.072 122.820 -0.204 0.000 1.908 140 A HA -0.187 4.128 4.320 -0.009 0.000 0.218 140 A C 2.434 180.087 177.584 0.116 0.000 1.181 140 A CA 1.990 53.980 52.037 -0.078 0.000 0.627 140 A CB -1.184 17.798 19.000 -0.030 0.000 0.818 140 A HN 0.580 nan 8.150 nan 0.000 0.445 141 A N -1.398 121.526 122.820 0.174 0.000 1.930 141 A HA -0.131 4.183 4.320 -0.009 0.000 0.217 141 A C 2.278 179.939 177.584 0.127 0.000 1.175 141 A CA 1.616 53.767 52.037 0.189 0.000 0.627 141 A CB -1.119 17.986 19.000 0.176 0.000 0.815 141 A HN 0.592 nan 8.150 nan 0.000 0.443 142 C N -1.700 117.676 119.300 0.128 0.000 2.457 142 C HA 0.035 4.490 4.460 -0.009 0.000 0.278 142 C C 2.377 177.527 174.990 0.267 0.000 1.309 142 C CA 0.329 59.457 59.018 0.184 0.000 1.735 142 C CB -1.491 26.375 27.740 0.212 0.000 1.992 142 C HN 0.611 nan 8.230 nan 0.000 0.493 143 F N 0.584 120.516 119.950 -0.030 0.000 2.134 143 F HA -0.062 4.459 4.527 -0.010 0.000 0.299 143 F C 2.111 177.850 175.800 -0.101 0.000 1.097 143 F CA 1.063 58.995 58.000 -0.113 0.000 1.264 143 F CB -1.330 37.468 39.000 -0.337 0.000 1.001 143 F HN 0.080 nan 8.300 nan 0.000 0.479 144 L N 0.408 121.700 121.223 0.115 0.000 2.012 144 L HA -0.245 4.090 4.340 -0.009 0.000 0.210 144 L C 2.412 179.288 176.870 0.010 0.000 1.073 144 L CA 1.947 56.809 54.840 0.036 0.000 0.748 144 L CB -1.230 40.851 42.059 0.036 0.000 0.891 144 L HN 0.195 nan 8.230 nan 0.000 0.431 145 D N -1.388 119.027 120.400 0.026 0.000 2.097 145 D HA -0.168 4.466 4.640 -0.009 0.000 0.195 145 D C 1.926 178.239 176.300 0.022 0.000 0.989 145 D CA 1.537 55.539 54.000 0.003 0.000 0.827 145 D CB 0.415 41.215 40.800 -0.001 0.000 0.966 145 D HN 0.301 nan 8.370 nan 0.000 0.456 146 S N -0.214 115.517 115.700 0.050 0.000 2.383 146 S HA -0.046 4.419 4.470 -0.009 0.000 0.227 146 S C 2.106 176.717 174.600 0.019 0.000 1.026 146 S CA 0.681 58.906 58.200 0.040 0.000 0.981 146 S CB -0.083 63.151 63.200 0.056 0.000 0.818 146 S HN 0.343 nan 8.310 nan 0.000 0.472 147 M N 0.723 120.327 119.600 0.005 0.000 2.229 147 M HA -0.059 4.416 4.480 -0.009 0.000 0.264 147 M C 2.360 178.657 176.300 -0.005 0.000 1.063 147 M CA 1.242 56.540 55.300 -0.003 0.000 1.114 147 M CB -0.403 32.178 32.600 -0.032 0.000 1.387 147 M HN 0.389 nan 8.290 nan 0.000 0.420 148 A N -0.362 122.453 122.820 -0.008 0.000 1.898 148 A HA -0.090 4.225 4.320 -0.009 0.000 0.214 148 A C 2.141 179.735 177.584 0.016 0.000 1.183 148 A CA 1.774 53.809 52.037 -0.004 0.000 0.622 148 A CB -0.969 18.013 19.000 -0.029 0.000 0.824 148 A HN 0.375 nan 8.150 nan 0.000 0.444 149 T N 0.377 114.947 114.554 0.026 0.000 2.833 149 T HA -0.011 4.333 4.350 -0.009 0.000 0.269 149 T C 1.241 175.968 174.700 0.044 0.000 1.054 149 T CA 1.066 63.196 62.100 0.050 0.000 1.135 149 T CB -0.276 68.631 68.868 0.066 0.000 0.869 149 T HN 0.322 nan 8.240 nan 0.000 0.466 150 L N 0.626 121.871 121.223 0.036 0.000 2.685 150 L HA 0.304 4.638 4.340 -0.009 0.000 0.233 150 L C 1.520 178.414 176.870 0.040 0.000 1.173 150 L CA -0.209 54.654 54.840 0.038 0.000 0.961 150 L CB -0.491 41.592 42.059 0.039 0.000 1.217 150 L HN 0.363 nan 8.230 nan 0.000 0.478 151 G N 1.325 110.149 108.800 0.041 0.000 2.341 151 G HA2 -0.288 3.666 3.960 -0.009 0.000 0.292 151 G HA3 -0.288 3.666 3.960 -0.009 0.000 0.292 151 G C 0.067 174.994 174.900 0.046 0.000 1.021 151 G CA 0.193 45.328 45.100 0.059 0.000 0.905 151 G HN 0.315 nan 8.290 nan 0.000 0.508 152 L N -0.482 120.742 121.223 0.003 0.000 2.357 152 L HA 0.643 4.977 4.340 -0.009 0.000 0.273 152 L C 1.121 177.858 176.870 -0.222 0.000 1.080 152 L CA -0.505 54.290 54.840 -0.075 0.000 0.803 152 L CB 1.734 43.767 42.059 -0.043 0.000 1.174 152 L HN 0.238 nan 8.230 nan 0.000 0.443 153 A N 2.681 125.236 122.820 -0.442 0.000 3.037 153 A HA 0.591 4.906 4.320 -0.009 0.000 0.272 153 A C 0.258 177.507 177.584 -0.559 0.000 1.723 153 A CA -0.216 51.298 52.037 -0.872 0.000 1.413 153 A CB -0.630 17.767 19.000 -1.005 0.000 1.112 153 A HN 0.681 nan 8.150 nan 0.000 0.606 154 A N 1.255 123.794 122.820 -0.470 0.000 2.324 154 A HA 0.787 5.101 4.320 -0.009 0.000 0.330 154 A C -1.094 176.238 177.584 -0.420 0.000 1.165 154 A CA -0.418 51.402 52.037 -0.362 0.000 0.813 154 A CB 0.678 19.533 19.000 -0.242 0.000 1.197 154 A HN 0.571 nan 8.150 nan 0.000 0.484 155 Y N 0.258 120.513 120.300 -0.076 0.000 2.391 155 Y HA 0.550 5.094 4.550 -0.009 0.000 0.341 155 Y C 0.810 176.822 175.900 0.187 0.000 0.965 155 Y CA -0.659 57.478 58.100 0.062 0.000 1.067 155 Y CB 2.240 40.846 38.460 0.242 0.000 1.199 155 Y HN 0.816 nan 8.280 nan 0.000 0.450 156 G N 2.227 111.118 108.800 0.151 0.000 2.325 156 G HA2 0.459 4.414 3.960 -0.009 0.000 0.298 156 G HA3 0.459 4.414 3.960 -0.009 0.000 0.298 156 G C -1.756 173.182 174.900 0.064 0.000 1.134 156 G CA -0.264 44.950 45.100 0.190 0.000 0.876 156 G HN 0.503 nan 8.290 nan 0.000 0.452 157 Y N 0.921 121.498 120.300 0.462 0.000 2.391 157 Y HA 0.657 5.201 4.550 -0.009 0.000 0.341 157 Y C 0.727 176.999 175.900 0.619 0.000 0.965 157 Y CA 0.236 58.576 58.100 0.401 0.000 1.067 157 Y CB 2.768 41.471 38.460 0.405 0.000 1.199 157 Y HN 0.902 nan 8.280 nan 0.000 0.450 158 G N 2.193 111.378 108.800 0.642 0.000 2.578 158 G HA2 0.511 4.466 3.960 -0.009 0.000 0.302 158 G HA3 0.511 4.466 3.960 -0.009 0.000 0.302 158 G C -1.840 173.330 174.900 0.450 0.000 1.243 158 G CA -0.834 44.645 45.100 0.633 0.000 0.843 158 G HN 0.430 nan 8.290 nan 0.000 0.486 159 I N 0.710 121.422 120.570 0.236 0.000 2.441 159 I HA 0.437 4.601 4.170 -0.009 0.000 0.295 159 I C 0.233 176.235 176.117 -0.191 0.000 0.994 159 I CA -0.726 60.589 61.300 0.024 0.000 1.144 159 I CB 2.102 39.921 38.000 -0.303 0.000 1.314 159 I HN 0.388 nan 8.210 nan 0.000 0.445 160 R N 6.298 126.798 120.500 -0.001 0.000 2.408 160 R HA 0.258 4.592 4.340 -0.009 0.000 0.308 160 R C -1.358 174.996 176.300 0.089 0.000 1.210 160 R CA -0.448 55.687 56.100 0.058 0.000 1.115 160 R CB 0.066 30.386 30.300 0.034 0.000 1.127 160 R HN 0.393 nan 8.270 nan 0.000 0.523 161 Y N 1.955 122.405 120.300 0.249 0.000 2.425 161 Y HA -0.018 4.527 4.550 -0.010 0.000 0.331 161 Y C 1.457 177.528 175.900 0.286 0.000 1.157 161 Y CA -0.186 58.049 58.100 0.225 0.000 1.372 161 Y CB 1.016 39.583 38.460 0.177 0.000 1.253 161 Y HN 0.579 nan 8.280 nan 0.000 0.536 162 E N 1.048 121.423 120.200 0.293 0.000 2.435 162 E HA 0.042 4.386 4.350 -0.009 0.000 0.195 162 E C -0.875 175.590 176.600 -0.225 0.000 1.029 162 E CA 0.486 56.890 56.400 0.006 0.000 0.865 162 E CB 0.080 29.603 29.700 -0.295 0.000 0.833 162 E HN 0.362 nan 8.360 nan 0.000 0.510 163 F N 0.996 121.179 119.950 0.389 0.000 2.539 163 F HA 0.481 5.002 4.527 -0.010 0.000 0.328 163 F C 0.792 176.667 175.800 0.126 0.000 1.148 163 F CA -0.971 57.196 58.000 0.277 0.000 0.940 163 F CB 2.003 41.100 39.000 0.161 0.000 1.194 163 F HN -0.067 nan 8.300 nan 0.000 0.438 164 G N 1.821 110.712 108.800 0.152 0.000 2.582 164 G HA2 0.358 4.312 3.960 -0.009 0.000 0.232 164 G HA3 0.358 4.312 3.960 -0.009 0.000 0.232 164 G C -0.461 174.397 174.900 -0.070 0.000 1.458 164 G CA -0.648 44.396 45.100 -0.094 0.000 1.062 164 G HN 0.526 nan 8.290 nan 0.000 0.566 165 I N 0.950 121.410 120.570 -0.183 0.000 2.710 165 I HA 0.245 4.410 4.170 -0.009 0.000 0.286 165 I C 0.507 176.537 176.117 -0.145 0.000 1.181 165 I CA -1.126 60.042 61.300 -0.219 0.000 1.430 165 I CB -0.166 37.611 38.000 -0.372 0.000 1.367 165 I HN 0.336 nan 8.210 nan 0.000 0.577 166 F N 6.290 126.252 119.950 0.020 0.000 2.589 166 F HA 0.245 4.767 4.527 -0.009 0.000 0.352 166 F C 0.444 176.296 175.800 0.087 0.000 1.168 166 F CA -0.507 57.527 58.000 0.056 0.000 1.353 166 F CB -0.264 38.755 39.000 0.032 0.000 1.116 166 F HN 0.425 nan 8.300 nan 0.000 0.608 167 N N 2.494 121.376 118.700 0.302 0.000 2.458 167 N HA 0.049 4.784 4.740 -0.009 0.000 0.270 167 N C -0.817 174.927 175.510 0.390 0.000 1.102 167 N CA -0.270 52.923 53.050 0.239 0.000 0.967 167 N CB 1.200 39.819 38.487 0.221 0.000 1.078 167 N HN 0.769 nan 8.380 nan 0.000 0.471 168 Q N 2.554 122.554 119.800 0.333 0.000 2.256 168 Q HA 0.190 4.524 4.340 -0.009 0.000 0.254 168 Q C -0.955 175.221 176.000 0.293 0.000 0.916 168 Q CA -0.238 55.808 55.803 0.405 0.000 0.932 168 Q CB 0.765 29.742 28.738 0.398 0.000 1.207 168 Q HN 0.262 nan 8.270 nan 0.000 0.426 169 K N 4.403 124.954 120.400 0.251 0.000 2.324 169 K HA 0.434 4.749 4.320 -0.009 0.000 0.253 169 K C -0.890 175.817 176.600 0.177 0.000 0.932 169 K CA -0.949 55.460 56.287 0.203 0.000 0.799 169 K CB 1.569 34.166 32.500 0.163 0.000 1.154 169 K HN 0.626 nan 8.250 nan 0.000 0.425 170 I N 2.863 123.532 120.570 0.165 0.000 2.307 170 I HA 0.186 4.350 4.170 -0.009 0.000 0.289 170 I C -0.140 176.041 176.117 0.106 0.000 1.021 170 I CA -0.740 60.629 61.300 0.115 0.000 1.224 170 I CB 0.468 38.522 38.000 0.090 0.000 1.376 170 I HN 0.459 nan 8.210 nan 0.000 0.470 171 C N 4.232 123.605 119.300 0.122 0.000 2.301 171 C HA 0.585 5.039 4.460 -0.009 0.000 0.323 171 C C 1.209 176.302 174.990 0.170 0.000 1.265 171 C CA -0.384 58.711 59.018 0.127 0.000 1.503 171 C CB 0.421 28.233 27.740 0.119 0.000 2.195 171 C HN 1.082 nan 8.230 nan 0.000 0.477 172 G N 2.643 111.514 108.800 0.118 0.000 2.283 172 G HA2 0.087 4.042 3.960 -0.009 0.000 0.280 172 G HA3 0.087 4.042 3.960 -0.009 0.000 0.280 172 G C 1.070 175.977 174.900 0.011 0.000 1.029 172 G CA 0.924 46.096 45.100 0.121 0.000 0.840 172 G HN 2.345 nan 8.290 nan 0.000 0.505 173 G N -2.972 105.787 108.800 -0.068 0.000 2.179 173 G HA2 -0.292 3.662 3.960 -0.009 0.000 0.260 173 G HA3 -0.292 3.662 3.960 -0.009 0.000 0.260 173 G C 0.328 174.985 174.900 -0.405 0.000 0.977 173 G CA 0.671 45.610 45.100 -0.268 0.000 0.641 173 G HN 1.193 nan 8.290 nan 0.000 0.533 174 W N 0.669 121.920 121.300 -0.081 0.000 2.570 174 W HA 0.659 5.313 4.660 -0.009 0.000 0.337 174 W C 0.608 177.082 176.519 -0.075 0.000 1.067 174 W CA -0.933 56.359 57.345 -0.089 0.000 1.229 174 W CB 0.902 30.325 29.460 -0.061 0.000 1.355 174 W HN 0.270 nan 8.180 nan 0.000 0.555 175 Q N 2.915 122.820 119.800 0.175 0.000 2.352 175 Q HA 0.275 4.610 4.340 -0.009 0.000 0.260 175 Q C -0.636 175.430 176.000 0.109 0.000 0.976 175 Q CA 0.171 56.047 55.803 0.122 0.000 0.881 175 Q CB 0.616 29.419 28.738 0.109 0.000 1.235 175 Q HN 0.314 nan 8.270 nan 0.000 0.419 176 M N 3.044 122.703 119.600 0.098 0.000 2.395 176 M HA 0.386 4.861 4.480 -0.009 0.000 0.307 176 M C -1.298 175.019 176.300 0.029 0.000 1.091 176 M CA -0.639 54.687 55.300 0.044 0.000 0.919 176 M CB 1.865 34.505 32.600 0.067 0.000 1.662 176 M HN 0.639 nan 8.290 nan 0.000 0.440 177 E N 1.724 121.871 120.200 -0.088 0.000 2.191 177 E HA 0.549 4.894 4.350 -0.009 0.000 0.274 177 E C -0.697 175.894 176.600 -0.015 0.000 0.948 177 E CA -0.617 55.699 56.400 -0.140 0.000 0.802 177 E CB 1.954 31.299 29.700 -0.592 0.000 1.137 177 E HN 0.530 nan 8.360 nan 0.000 0.397 178 E N 1.226 121.495 120.200 0.114 0.000 2.331 178 E HA 0.644 4.988 4.350 -0.009 0.000 0.275 178 E C -1.178 175.509 176.600 0.145 0.000 0.895 178 E CA -1.354 55.103 56.400 0.096 0.000 0.753 178 E CB 1.383 31.145 29.700 0.104 0.000 1.216 178 E HN 0.514 nan 8.360 nan 0.000 0.434 179 A N 2.747 125.609 122.820 0.068 0.000 2.584 179 A HA 0.009 4.324 4.320 -0.009 0.000 0.239 179 A C 0.020 177.760 177.584 0.260 0.000 1.043 179 A CA 0.725 52.809 52.037 0.078 0.000 0.756 179 A CB -0.101 18.809 19.000 -0.151 0.000 0.963 179 A HN 0.684 nan 8.150 nan 0.000 0.511 180 D N 1.779 122.406 120.400 0.379 0.000 2.500 180 D HA 0.189 4.823 4.640 -0.009 0.000 0.219 180 D C -0.426 176.219 176.300 0.576 0.000 1.137 180 D CA -0.263 53.976 54.000 0.398 0.000 0.946 180 D CB 0.426 41.397 40.800 0.284 0.000 1.022 180 D HN 0.362 nan 8.370 nan 0.000 0.518 181 D N 4.042 124.748 120.400 0.510 0.000 2.801 181 D HA -0.029 4.606 4.640 -0.009 0.000 0.232 181 D C 1.136 177.599 176.300 0.272 0.000 1.128 181 D CA -0.544 53.689 54.000 0.387 0.000 1.003 181 D CB -0.200 40.819 40.800 0.366 0.000 1.110 181 D HN 0.589 nan 8.370 nan 0.000 0.477 182 W N 1.586 122.945 121.300 0.099 0.000 2.468 182 W HA -0.093 4.561 4.660 -0.009 0.000 0.262 182 W C 0.224 176.810 176.519 0.111 0.000 1.241 182 W CA 0.156 57.570 57.345 0.116 0.000 1.232 182 W CB -0.875 28.651 29.460 0.110 0.000 1.124 182 W HN 0.196 nan 8.180 nan 0.000 0.597 183 L N 0.670 121.540 121.223 -0.589 0.000 2.585 183 L HA 0.157 4.492 4.340 -0.009 0.000 0.226 183 L C 2.778 179.503 176.870 -0.242 0.000 1.113 183 L CA 0.036 54.509 54.840 -0.612 0.000 0.876 183 L CB -0.653 40.940 42.059 -0.777 0.000 1.072 183 L HN -0.119 nan 8.230 nan 0.000 0.468 184 R N 0.770 121.197 120.500 -0.122 0.000 2.189 184 R HA -0.272 4.063 4.340 -0.009 0.000 0.252 184 R C 1.523 177.683 176.300 -0.233 0.000 1.134 184 R CA 2.389 58.403 56.100 -0.144 0.000 0.954 184 R CB -0.318 29.935 30.300 -0.079 0.000 0.890 184 R HN 0.313 nan 8.270 nan 0.000 0.443 185 Y N -0.842 119.466 120.300 0.013 0.000 2.457 185 Y HA 0.328 4.872 4.550 -0.009 0.000 0.263 185 Y C 0.848 176.726 175.900 -0.036 0.000 1.164 185 Y CA 0.509 58.625 58.100 0.026 0.000 1.274 185 Y CB 1.105 39.685 38.460 0.199 0.000 1.097 185 Y HN 0.483 nan 8.280 nan 0.000 0.523 186 G N 1.149 109.990 108.800 0.068 0.000 2.629 186 G HA2 -0.179 3.776 3.960 -0.009 0.000 0.686 186 G HA3 -0.179 3.776 3.960 -0.009 0.000 0.686 186 G C -1.469 173.483 174.900 0.087 0.000 1.232 186 G CA -0.927 44.172 45.100 -0.002 0.000 0.803 186 G HN 0.169 nan 8.290 nan 0.000 0.638 187 N N 1.270 119.967 118.700 -0.004 0.000 2.524 187 N HA 0.552 5.287 4.740 -0.009 0.000 0.261 187 N C -0.899 174.596 175.510 -0.024 0.000 0.998 187 N CA -1.999 51.068 53.050 0.028 0.000 0.915 187 N CB 2.135 40.579 38.487 -0.072 0.000 1.187 187 N HN 0.255 nan 8.380 nan 0.000 0.507 188 P HA 0.049 nan 4.420 nan 0.000 0.237 188 P C 0.581 177.524 177.300 -0.595 0.000 1.178 188 P CA 0.605 63.374 63.100 -0.552 0.000 0.766 188 P CB 0.115 31.237 31.700 -0.963 0.000 0.876 189 W N 1.738 123.034 121.300 -0.007 0.000 2.539 189 W HA 0.075 4.729 4.660 -0.009 0.000 0.281 189 W C 1.375 177.916 176.519 0.035 0.000 1.220 189 W CA -0.329 57.007 57.345 -0.015 0.000 1.332 189 W CB -0.285 29.171 29.460 -0.007 0.000 1.095 189 W HN -0.046 nan 8.180 nan 0.000 0.571 190 E N 2.033 122.400 120.200 0.278 0.000 2.374 190 E HA 0.235 4.579 4.350 -0.009 0.000 0.260 190 E C -0.605 176.161 176.600 0.276 0.000 1.101 190 E CA -0.436 56.136 56.400 0.287 0.000 0.907 190 E CB 1.193 31.076 29.700 0.305 0.000 1.014 190 E HN -0.300 nan 8.360 nan 0.000 0.427 191 K N 1.383 121.968 120.400 0.308 0.000 2.579 191 K HA 0.409 4.723 4.320 -0.009 0.000 0.250 191 K C -1.310 175.330 176.600 0.066 0.000 0.952 191 K CA -0.414 55.996 56.287 0.204 0.000 0.857 191 K CB 1.582 34.225 32.500 0.238 0.000 1.123 191 K HN 0.651 nan 8.250 nan 0.000 0.433 192 A N 4.289 127.060 122.820 -0.081 0.000 2.488 192 A HA 0.358 4.672 4.320 -0.009 0.000 0.249 192 A C -0.270 177.128 177.584 -0.309 0.000 1.083 192 A CA -0.141 51.586 52.037 -0.516 0.000 0.768 192 A CB 0.208 18.914 19.000 -0.491 0.000 1.017 192 A HN 0.662 nan 8.150 nan 0.000 0.496 193 R N 3.553 123.860 120.500 -0.321 0.000 2.868 193 R HA 0.200 4.534 4.340 -0.009 0.000 0.289 193 R C -2.330 173.846 176.300 -0.207 0.000 1.443 193 R CA -1.674 54.321 56.100 -0.174 0.000 1.651 193 R CB 0.717 31.091 30.300 0.124 0.000 1.242 193 R HN 0.569 nan 8.270 nan 0.000 0.621 194 P HA -0.191 nan 4.420 nan 0.000 0.221 194 P C 0.881 178.081 177.300 -0.168 0.000 1.145 194 P CA 1.164 64.176 63.100 -0.147 0.000 0.795 194 P CB 0.355 31.981 31.700 -0.124 0.000 0.775 195 E N -0.462 119.522 120.200 -0.359 0.000 2.418 195 E HA -0.112 4.232 4.350 -0.009 0.000 0.197 195 E C 0.370 176.708 176.600 -0.436 0.000 1.026 195 E CA 0.703 56.829 56.400 -0.457 0.000 0.862 195 E CB -0.677 28.623 29.700 -0.666 0.000 0.799 195 E HN 0.272 nan 8.360 nan 0.000 0.518 196 F N 1.675 121.640 119.950 0.026 0.000 2.772 196 F HA 0.292 4.813 4.527 -0.009 0.000 0.302 196 F C 0.347 176.240 175.800 0.154 0.000 1.136 196 F CA -0.740 57.305 58.000 0.076 0.000 1.322 196 F CB 0.197 39.237 39.000 0.068 0.000 0.967 196 F HN -0.300 nan 8.300 nan 0.000 0.513 197 T N 2.940 117.627 114.554 0.221 0.000 2.916 197 T HA 0.318 4.662 4.350 -0.009 0.000 0.303 197 T C -0.210 174.595 174.700 0.176 0.000 1.025 197 T CA 0.323 62.556 62.100 0.221 0.000 1.142 197 T CB 0.670 69.619 68.868 0.134 0.000 0.947 197 T HN -0.143 nan 8.240 nan 0.000 0.544 198 L N 5.975 127.279 121.223 0.135 0.000 2.354 198 L HA 0.588 4.922 4.340 -0.009 0.000 0.269 198 L C -2.197 174.636 176.870 -0.061 0.000 1.005 198 L CA -2.654 52.189 54.840 0.005 0.000 0.819 198 L CB 1.868 43.860 42.059 -0.111 0.000 1.311 198 L HN 0.388 nan 8.230 nan 0.000 0.423 199 P HA 0.386 nan 4.420 nan 0.000 0.288 199 P C -1.190 175.978 177.300 -0.220 0.000 1.267 199 P CA -0.406 62.614 63.100 -0.133 0.000 0.815 199 P CB 1.912 33.529 31.700 -0.138 0.000 0.989 200 V N 3.731 123.498 119.914 -0.245 0.000 2.656 200 V HA 0.331 4.445 4.120 -0.009 0.000 0.307 200 V C 0.116 175.977 176.094 -0.389 0.000 1.051 200 V CA -0.612 61.530 62.300 -0.264 0.000 0.893 200 V CB 1.597 33.320 31.823 -0.165 0.000 0.999 200 V HN 0.616 nan 8.190 nan 0.000 0.426 201 H N 3.685 122.559 119.070 -0.327 0.000 2.502 201 H HA 0.648 5.198 4.556 -0.009 0.000 0.338 201 H C -1.380 173.529 175.328 -0.699 0.000 1.155 201 H CA -0.222 55.529 56.048 -0.494 0.000 1.237 201 H CB 2.043 31.283 29.762 -0.870 0.000 1.534 201 H HN 0.451 nan 8.280 nan 0.000 0.523 202 F N -0.291 119.644 119.950 -0.027 0.000 2.626 202 F HA 0.208 4.729 4.527 -0.010 0.000 0.311 202 F C -0.270 175.575 175.800 0.074 0.000 1.088 202 F CA -0.591 57.392 58.000 -0.029 0.000 0.949 202 F CB 0.861 39.786 39.000 -0.125 0.000 1.322 202 F HN 0.581 nan 8.300 nan 0.000 0.461 203 Y N 0.172 120.713 120.300 0.401 0.000 2.896 203 Y HA -0.011 4.533 4.550 -0.009 0.000 0.466 203 Y C 1.445 177.550 175.900 0.342 0.000 1.197 203 Y CA 0.745 59.014 58.100 0.282 0.000 2.513 203 Y CB -1.912 36.643 38.460 0.157 0.000 1.232 203 Y HN 1.337 nan 8.280 nan 0.000 0.632 204 G N 0.768 109.796 108.800 0.380 0.000 2.598 204 G HA2 0.075 4.029 3.960 -0.009 0.000 0.244 204 G HA3 0.075 4.029 3.960 -0.009 0.000 0.244 204 G C -0.462 174.626 174.900 0.313 0.000 1.302 204 G CA 1.047 46.298 45.100 0.251 0.000 0.903 204 G HN 1.360 nan 8.290 nan 0.000 0.575 205 R N -2.649 118.034 120.500 0.305 0.000 2.766 205 R HA 0.720 5.054 4.340 -0.009 0.000 0.270 205 R C -1.613 174.807 176.300 0.201 0.000 1.035 205 R CA -0.872 55.356 56.100 0.213 0.000 0.911 205 R CB 1.298 31.674 30.300 0.126 0.000 1.243 205 R HN 0.953 nan 8.270 nan 0.000 0.460 206 V N 1.080 121.030 119.914 0.060 0.000 2.384 206 V HA 0.340 4.454 4.120 -0.009 0.000 0.287 206 V C -0.358 175.658 176.094 -0.129 0.000 1.020 206 V CA -0.598 61.665 62.300 -0.061 0.000 0.850 206 V CB 1.401 33.112 31.823 -0.186 0.000 0.987 206 V HN 0.660 nan 8.190 nan 0.000 0.436 207 E N 3.502 123.623 120.200 -0.132 0.000 2.175 207 E HA 0.388 4.732 4.350 -0.009 0.000 0.278 207 E C -0.916 175.562 176.600 -0.204 0.000 0.969 207 E CA -0.651 55.691 56.400 -0.096 0.000 0.796 207 E CB 0.955 30.645 29.700 -0.017 0.000 1.104 207 E HN 0.635 nan 8.360 nan 0.000 0.395 208 H N 2.444 121.529 119.070 0.024 0.000 2.661 208 H HA 0.187 4.737 4.556 -0.009 0.000 0.290 208 H C -0.329 175.008 175.328 0.016 0.000 1.082 208 H CA -0.242 55.816 56.048 0.016 0.000 1.234 208 H CB 0.828 30.595 29.762 0.009 0.000 1.387 208 H HN 0.438 nan 8.280 nan 0.000 0.476 209 T N 0.063 114.674 114.554 0.096 0.000 2.848 209 T HA 0.296 4.640 4.350 -0.009 0.000 0.285 209 T C 1.101 175.835 174.700 0.057 0.000 0.995 209 T CA -0.205 61.935 62.100 0.067 0.000 0.970 209 T CB 1.914 70.808 68.868 0.042 0.000 0.976 209 T HN 0.541 nan 8.240 nan 0.000 0.441 210 S N 2.700 118.429 115.700 0.048 0.000 2.746 210 S HA -0.375 4.090 4.470 -0.009 0.000 0.526 210 S C 0.892 175.515 174.600 0.039 0.000 0.959 210 S CA 1.933 60.156 58.200 0.037 0.000 3.281 210 S CB -1.399 61.819 63.200 0.030 0.000 2.286 210 S HN 0.869 nan 8.310 nan 0.000 0.525 211 Q N 2.824 122.647 119.800 0.037 0.000 2.824 211 Q HA 0.567 4.901 4.340 -0.009 0.000 0.371 211 Q C 0.211 176.235 176.000 0.040 0.000 1.071 211 Q CA 0.812 56.637 55.803 0.036 0.000 1.064 211 Q CB 0.510 29.266 28.738 0.029 0.000 1.332 211 Q HN 1.001 nan 8.270 nan 0.000 0.445 212 G N -0.287 108.546 108.800 0.056 0.000 2.459 212 G HA2 0.265 4.219 3.960 -0.009 0.000 0.685 212 G HA3 0.265 4.219 3.960 -0.009 0.000 0.685 212 G C -1.110 173.825 174.900 0.057 0.000 1.303 212 G CA -0.643 44.493 45.100 0.061 0.000 0.907 212 G HN 0.477 nan 8.290 nan 0.000 0.632 213 A N 0.423 123.266 122.820 0.037 0.000 2.302 213 A HA 0.829 5.144 4.320 -0.009 0.000 0.285 213 A C 0.362 177.900 177.584 -0.077 0.000 1.105 213 A CA -0.033 51.950 52.037 -0.091 0.000 0.816 213 A CB 0.859 19.765 19.000 -0.157 0.000 1.067 213 A HN 0.757 nan 8.150 nan 0.000 0.489 214 K N 0.725 121.065 120.400 -0.099 0.000 2.471 214 K HA 0.190 4.505 4.320 -0.009 0.000 0.252 214 K C -1.757 174.878 176.600 0.058 0.000 0.938 214 K CA -0.389 55.889 56.287 -0.015 0.000 0.796 214 K CB 1.883 34.380 32.500 -0.006 0.000 1.161 214 K HN 0.731 nan 8.250 nan 0.000 0.425 215 W N 5.019 126.235 121.300 -0.140 0.000 2.358 215 W HA 0.339 4.993 4.660 -0.010 0.000 0.307 215 W C -0.979 175.466 176.519 -0.122 0.000 1.203 215 W CA -0.587 56.676 57.345 -0.136 0.000 1.279 215 W CB 0.404 29.768 29.460 -0.160 0.000 1.264 215 W HN 0.190 nan 8.180 nan 0.000 0.474 216 V N 6.564 126.573 119.914 0.159 0.000 3.074 216 V HA 0.344 4.459 4.120 -0.009 0.000 0.314 216 V C -0.489 175.581 176.094 -0.041 0.000 1.117 216 V CA -0.591 61.703 62.300 -0.010 0.000 1.014 216 V CB 2.092 33.933 31.823 0.030 0.000 1.057 216 V HN 0.462 nan 8.190 nan 0.000 0.438 217 D N 1.471 121.834 120.400 -0.061 0.000 2.689 217 D HA -0.129 4.505 4.640 -0.009 0.000 0.237 217 D C 0.421 176.667 176.300 -0.091 0.000 1.148 217 D CA 1.373 55.336 54.000 -0.061 0.000 0.656 217 D CB -1.273 39.522 40.800 -0.009 0.000 1.050 217 D HN 0.858 nan 8.370 nan 0.000 0.426 218 T N -3.182 111.270 114.554 -0.170 0.000 2.874 218 T HA 0.400 4.744 4.350 -0.009 0.000 0.281 218 T C 0.271 174.929 174.700 -0.069 0.000 0.994 218 T CA -0.877 61.126 62.100 -0.162 0.000 1.015 218 T CB 2.545 71.152 68.868 -0.436 0.000 1.028 218 T HN 0.199 nan 8.240 nan 0.000 0.523 219 Q N 0.904 120.738 119.800 0.056 0.000 2.257 219 Q HA 0.514 4.848 4.340 -0.009 0.000 0.255 219 Q C -1.502 174.547 176.000 0.080 0.000 0.920 219 Q CA -0.822 55.023 55.803 0.071 0.000 0.927 219 Q CB 1.268 30.144 28.738 0.230 0.000 1.229 219 Q HN 0.613 nan 8.270 nan 0.000 0.433 220 V N 4.657 124.572 119.914 0.002 0.000 2.394 220 V HA 0.402 4.517 4.120 -0.009 0.000 0.282 220 V C -0.342 175.794 176.094 0.071 0.000 1.031 220 V CA -0.558 61.700 62.300 -0.069 0.000 0.881 220 V CB 1.607 33.345 31.823 -0.142 0.000 0.982 220 V HN 0.622 nan 8.190 nan 0.000 0.451 221 V N 6.208 126.203 119.914 0.135 0.000 2.604 221 V HA 0.498 4.612 4.120 -0.009 0.000 0.305 221 V C -0.183 176.030 176.094 0.198 0.000 1.043 221 V CA -0.642 61.791 62.300 0.221 0.000 0.888 221 V CB 1.999 34.047 31.823 0.374 0.000 0.995 221 V HN 0.627 nan 8.190 nan 0.000 0.429 222 L N 3.494 124.837 121.223 0.200 0.000 2.334 222 L HA 0.779 5.113 4.340 -0.009 0.000 0.277 222 L C 0.361 177.427 176.870 0.327 0.000 1.075 222 L CA -0.475 54.476 54.840 0.185 0.000 0.804 222 L CB 1.497 43.644 42.059 0.146 0.000 1.174 222 L HN 0.739 nan 8.230 nan 0.000 0.438 223 A N 4.773 127.723 122.820 0.217 0.000 2.267 223 A HA 0.586 4.900 4.320 -0.009 0.000 0.315 223 A C -0.487 177.373 177.584 0.461 0.000 1.297 223 A CA -0.474 51.723 52.037 0.266 0.000 0.865 223 A CB 0.930 19.652 19.000 -0.463 0.000 1.165 223 A HN 0.797 nan 8.150 nan 0.000 0.513 224 M N 6.094 126.019 119.600 0.541 0.000 2.113 224 M HA 0.489 4.964 4.480 -0.009 0.000 0.352 224 M C -2.581 173.994 176.300 0.459 0.000 1.170 224 M CA -1.981 53.576 55.300 0.428 0.000 1.053 224 M CB 1.892 34.672 32.600 0.301 0.000 1.601 224 M HN 0.350 nan 8.290 nan 0.000 0.459 225 P HA 0.282 nan 4.420 nan 0.000 0.284 225 P C -1.941 175.298 177.300 -0.102 0.000 1.258 225 P CA -0.064 62.950 63.100 -0.143 0.000 0.824 225 P CB 0.622 32.035 31.700 -0.478 0.000 1.038 226 Y N 0.110 120.343 120.300 -0.112 0.000 2.346 226 Y HA 0.297 4.841 4.550 -0.010 0.000 0.332 226 Y C -0.095 175.796 175.900 -0.016 0.000 0.985 226 Y CA -0.372 57.728 58.100 -0.001 0.000 1.112 226 Y CB 1.513 40.001 38.460 0.047 0.000 1.170 226 Y HN 0.203 nan 8.280 nan 0.000 0.447 227 D N 2.087 122.602 120.400 0.192 0.000 2.168 227 D HA 0.426 5.061 4.640 -0.009 0.000 0.246 227 D C -0.572 175.938 176.300 0.351 0.000 1.050 227 D CA -0.201 53.950 54.000 0.251 0.000 0.857 227 D CB 1.860 42.862 40.800 0.337 0.000 1.169 227 D HN 0.351 nan 8.370 nan 0.000 0.453 228 T N 3.031 117.685 114.554 0.168 0.000 2.824 228 T HA 0.451 4.795 4.350 -0.009 0.000 0.282 228 T C -2.531 171.989 174.700 -0.299 0.000 0.993 228 T CA -1.459 60.640 62.100 -0.002 0.000 0.967 228 T CB 2.068 70.942 68.868 0.010 0.000 0.960 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.293 nan 4.420 nan 0.000 0.275 229 P C -0.989 175.988 177.300 -0.539 0.000 1.227 229 P CA -0.362 62.095 63.100 -1.071 0.000 0.781 229 P CB 0.792 31.657 31.700 -1.391 0.000 0.906 230 V N 5.241 124.899 119.914 -0.427 0.000 2.327 230 V HA 0.258 4.372 4.120 -0.009 0.000 0.272 230 V C -2.081 173.883 176.094 -0.218 0.000 1.019 230 V CA -1.907 60.233 62.300 -0.267 0.000 0.814 230 V CB 1.338 33.048 31.823 -0.188 0.000 1.040 230 V HN 0.541 nan 8.190 nan 0.000 0.440 231 P HA 0.277 nan 4.420 nan 0.000 0.280 231 P C 0.385 177.634 177.300 -0.085 0.000 1.244 231 P CA 0.333 63.346 63.100 -0.145 0.000 0.784 231 P CB 1.680 33.290 31.700 -0.150 0.000 0.913 232 G N 2.222 110.990 108.800 -0.054 0.000 2.599 232 G HA2 0.145 4.099 3.960 -0.009 0.000 0.264 232 G HA3 0.145 4.099 3.960 -0.009 0.000 0.264 232 G C -1.176 173.736 174.900 0.020 0.000 1.200 232 G CA -0.445 44.651 45.100 -0.006 0.000 0.896 232 G HN 0.483 nan 8.290 nan 0.000 0.536 233 Y N 0.449 120.711 120.300 -0.064 0.000 2.584 233 Y HA 0.302 4.847 4.550 -0.010 0.000 0.351 233 Y C 1.222 177.084 175.900 -0.062 0.000 1.030 233 Y CA -0.420 57.638 58.100 -0.070 0.000 1.332 233 Y CB 0.071 38.488 38.460 -0.071 0.000 1.148 233 Y HN 0.695 nan 8.280 nan 0.000 0.528 234 R N 3.019 123.197 120.500 -0.537 0.000 3.502 234 R HA -0.311 4.023 4.340 -0.009 0.000 0.266 234 R C -0.045 176.107 176.300 -0.245 0.000 1.077 234 R CA 1.444 57.256 56.100 -0.479 0.000 0.718 234 R CB -1.852 27.980 30.300 -0.781 0.000 1.120 234 R HN 0.953 nan 8.270 nan 0.000 0.457 235 N N -1.617 116.995 118.700 -0.146 0.000 2.160 235 N HA 0.075 4.809 4.740 -0.009 0.000 0.226 235 N C -0.253 175.211 175.510 -0.076 0.000 1.256 235 N CA -0.364 52.633 53.050 -0.088 0.000 0.890 235 N CB 0.579 39.039 38.487 -0.045 0.000 1.116 235 N HN 0.107 nan 8.380 nan 0.000 0.517 236 N N -0.201 118.450 118.700 -0.082 0.000 2.800 236 N HA -0.127 4.607 4.740 -0.009 0.000 0.250 236 N C -1.052 174.419 175.510 -0.064 0.000 1.078 236 N CA 0.597 53.607 53.050 -0.066 0.000 0.804 236 N CB -1.288 37.161 38.487 -0.062 0.000 1.135 236 N HN 0.192 nan 8.380 nan 0.000 0.565 237 V N 1.262 121.141 119.914 -0.059 0.000 2.407 237 V HA 0.445 4.559 4.120 -0.009 0.000 0.278 237 V C 0.502 176.567 176.094 -0.048 0.000 1.037 237 V CA -0.537 61.733 62.300 -0.049 0.000 0.900 237 V CB 2.152 33.968 31.823 -0.011 0.000 0.983 237 V HN -0.038 nan 8.190 nan 0.000 0.459 238 V N 5.631 125.522 119.914 -0.039 0.000 2.357 238 V HA 0.418 4.533 4.120 -0.009 0.000 0.281 238 V C 0.020 176.108 176.094 -0.011 0.000 1.015 238 V CA -0.809 61.444 62.300 -0.079 0.000 0.827 238 V CB 1.318 33.083 31.823 -0.097 0.000 1.018 238 V HN 0.831 nan 8.190 nan 0.000 0.432 239 N N 2.060 120.729 118.700 -0.051 0.000 2.366 239 N HA 0.536 5.270 4.740 -0.009 0.000 0.277 239 N C 0.055 175.558 175.510 -0.011 0.000 1.275 239 N CA -0.193 52.851 53.050 -0.011 0.000 0.964 239 N CB 0.959 39.403 38.487 -0.073 0.000 1.167 239 N HN 0.573 nan 8.380 nan 0.000 0.568 240 T N 0.667 115.223 114.554 0.003 0.000 2.861 240 T HA 0.426 4.770 4.350 -0.009 0.000 0.287 240 T C -0.360 174.311 174.700 -0.049 0.000 1.003 240 T CA -0.525 61.637 62.100 0.103 0.000 0.977 240 T CB 1.198 70.250 68.868 0.307 0.000 0.996 240 T HN 0.311 nan 8.240 nan 0.000 0.448 241 M N 3.560 123.096 119.600 -0.106 0.000 2.072 241 M HA 0.496 4.971 4.480 -0.009 0.000 0.331 241 M C -0.578 175.576 176.300 -0.244 0.000 1.004 241 M CA -0.745 54.402 55.300 -0.255 0.000 0.952 241 M CB 0.737 33.133 32.600 -0.341 0.000 1.511 241 M HN 0.479 nan 8.290 nan 0.000 0.422 242 R N 4.539 124.787 120.500 -0.420 0.000 2.255 242 R HA 0.552 4.886 4.340 -0.009 0.000 0.326 242 R C -1.886 174.150 176.300 -0.439 0.000 0.986 242 R CA -0.554 55.257 56.100 -0.482 0.000 0.847 242 R CB 0.859 30.682 30.300 -0.794 0.000 1.111 242 R HN 0.628 nan 8.270 nan 0.000 0.452 243 L N 5.702 126.760 121.223 -0.275 0.000 2.313 243 L HA 0.454 4.788 4.340 -0.009 0.000 0.283 243 L C -1.035 175.792 176.870 -0.071 0.000 1.013 243 L CA -0.582 54.196 54.840 -0.104 0.000 0.816 243 L CB 1.152 43.232 42.059 0.036 0.000 1.236 243 L HN 0.631 nan 8.230 nan 0.000 0.419 244 W N 2.279 123.722 121.300 0.239 0.000 2.316 244 W HA 0.604 5.259 4.660 -0.009 0.000 0.321 244 W C 0.597 177.358 176.519 0.403 0.000 1.203 244 W CA -0.219 57.292 57.345 0.277 0.000 1.214 244 W CB 1.303 30.801 29.460 0.063 0.000 1.169 244 W HN 0.418 nan 8.180 nan 0.000 0.561 245 S N 1.346 117.484 115.700 0.731 0.000 2.513 245 S HA 0.764 5.229 4.470 -0.009 0.000 0.299 245 S C -0.530 174.450 174.600 0.633 0.000 1.087 245 S CA -0.732 57.800 58.200 0.553 0.000 1.012 245 S CB 0.722 64.196 63.200 0.456 0.000 1.044 245 S HN 0.522 nan 8.310 nan 0.000 0.485 246 A N 4.401 127.433 122.820 0.354 0.000 2.363 246 A HA 0.677 4.991 4.320 -0.009 0.000 0.270 246 A C -0.102 177.604 177.584 0.203 0.000 1.121 246 A CA -0.224 51.937 52.037 0.206 0.000 0.800 246 A CB 0.400 19.276 19.000 -0.208 0.000 1.052 246 A HN 0.644 nan 8.150 nan 0.000 0.493 247 K N 0.737 121.271 120.400 0.223 0.000 2.469 247 K HA 0.633 4.947 4.320 -0.009 0.000 0.254 247 K C -0.761 175.922 176.600 0.138 0.000 0.939 247 K CA -0.471 55.916 56.287 0.167 0.000 0.812 247 K CB 2.388 34.996 32.500 0.180 0.000 1.301 247 K HN 0.844 nan 8.250 nan 0.000 0.433 248 A N 3.657 126.539 122.820 0.103 0.000 2.310 248 A HA 0.566 4.880 4.320 -0.009 0.000 0.299 248 A C -2.247 175.391 177.584 0.090 0.000 1.147 248 A CA -1.287 50.805 52.037 0.092 0.000 0.818 248 A CB 0.039 19.081 19.000 0.070 0.000 1.096 248 A HN 0.344 nan 8.150 nan 0.000 0.495 249 P HA 0.100 nan 4.420 nan 0.000 0.274 249 P C -0.042 177.306 177.300 0.080 0.000 1.231 249 P CA -0.372 62.781 63.100 0.088 0.000 0.790 249 P CB 0.676 32.439 31.700 0.104 0.000 0.951 250 N N 0.910 119.648 118.700 0.063 0.000 2.398 250 N HA -0.078 4.657 4.740 -0.009 0.000 0.188 250 N C 0.501 176.038 175.510 0.046 0.000 1.122 250 N CA 0.284 53.365 53.050 0.053 0.000 0.866 250 N CB -0.333 38.180 38.487 0.042 0.000 0.970 250 N HN 0.408 nan 8.380 nan 0.000 0.462 251 D N 0.837 121.265 120.400 0.046 0.000 2.230 251 D HA -0.097 4.537 4.640 -0.009 0.000 0.274 251 D C 1.419 177.738 176.300 0.032 0.000 1.222 251 D CA -0.055 53.943 54.000 -0.004 0.000 0.943 251 D CB -0.942 39.828 40.800 -0.051 0.000 0.920 251 D HN -0.059 nan 8.370 nan 0.000 0.300 252 F N 1.029 120.999 119.950 0.033 0.000 2.141 252 F HA -0.177 4.344 4.527 -0.009 0.000 0.300 252 F C 1.606 177.433 175.800 0.045 0.000 1.079 252 F CA 1.361 59.387 58.000 0.043 0.000 1.264 252 F CB -1.047 37.978 39.000 0.041 0.000 1.011 252 F HN 0.113 nan 8.300 nan 0.000 0.487 253 N N 0.478 119.314 118.700 0.226 0.000 3.115 253 N HA 0.098 4.832 4.740 -0.009 0.000 0.305 253 N C 0.818 176.385 175.510 0.096 0.000 1.305 253 N CA 0.168 53.300 53.050 0.137 0.000 1.154 253 N CB -0.039 38.508 38.487 0.100 0.000 1.454 253 N HN 0.116 nan 8.380 nan 0.000 0.551 254 L N -0.721 120.570 121.223 0.114 0.000 1.433 254 L HA -0.107 4.227 4.340 -0.009 0.000 0.146 254 L C 1.329 178.262 176.870 0.105 0.000 1.334 254 L CA 0.861 55.755 54.840 0.091 0.000 1.267 254 L CB -0.953 41.150 42.059 0.074 0.000 2.547 254 L HN 0.266 nan 8.230 nan 0.000 0.476 255 K N 0.328 120.763 120.400 0.059 0.000 2.366 255 K HA -0.033 4.281 4.320 -0.009 0.000 0.198 255 K C 0.493 177.123 176.600 0.050 0.000 1.044 255 K CA 0.995 57.264 56.287 -0.030 0.000 0.973 255 K CB -0.034 32.332 32.500 -0.225 0.000 0.767 255 K HN 0.158 nan 8.250 nan 0.000 0.475 256 D N 2.026 122.567 120.400 0.235 0.000 2.398 256 D HA -0.019 4.615 4.640 -0.009 0.000 0.250 256 D C -0.255 176.265 176.300 0.367 0.000 1.287 256 D CA -0.154 54.091 54.000 0.407 0.000 0.992 256 D CB -0.060 41.022 40.800 0.470 0.000 1.071 256 D HN 0.200 nan 8.370 nan 0.000 0.514 257 F N 1.505 121.497 119.950 0.070 0.000 2.352 257 F HA 0.362 4.884 4.527 -0.009 0.000 0.304 257 F C 0.510 176.339 175.800 0.050 0.000 1.215 257 F CA -1.947 56.083 58.000 0.051 0.000 1.121 257 F CB -0.206 38.810 39.000 0.027 0.000 1.329 257 F HN 0.357 nan 8.300 nan 0.000 0.528 258 N N -0.456 118.139 118.700 -0.175 0.000 3.506 258 N HA 0.067 4.801 4.740 -0.009 0.000 0.257 258 N C -1.710 173.740 175.510 -0.100 0.000 1.059 258 N CA 0.487 53.363 53.050 -0.289 0.000 0.672 258 N CB -0.916 37.251 38.487 -0.533 0.000 1.178 258 N HN 0.837 nan 8.380 nan 0.000 0.593 259 V N -1.640 118.266 119.914 -0.014 0.000 3.576 259 V HA -0.014 4.100 4.120 -0.009 0.000 0.511 259 V C 1.323 177.427 176.094 0.018 0.000 0.682 259 V CA 1.555 63.860 62.300 0.009 0.000 2.064 259 V CB -0.882 30.935 31.823 -0.010 0.000 2.487 259 V HN 0.999 nan 8.190 nan 0.000 0.511 260 G N 0.918 109.737 108.800 0.031 0.000 3.685 260 G HA2 0.665 4.620 3.960 -0.009 0.000 0.215 260 G HA3 0.665 4.620 3.960 -0.009 0.000 0.215 260 G C 0.932 175.854 174.900 0.036 0.000 0.987 260 G CA 1.191 46.308 45.100 0.028 0.000 0.884 260 G HN 3.035 nan 8.290 nan 0.000 0.406 261 G N -1.020 107.816 108.800 0.060 0.000 3.187 261 G HA2 0.280 4.234 3.960 -0.009 0.000 0.682 261 G HA3 0.280 4.234 3.960 -0.009 0.000 0.682 261 G C -0.084 174.874 174.900 0.096 0.000 1.266 261 G CA 0.206 45.352 45.100 0.076 0.000 0.902 261 G HN 1.429 nan 8.290 nan 0.000 0.589 262 Y N 3.388 123.705 120.300 0.028 0.000 2.163 262 Y HA -0.013 4.532 4.550 -0.009 0.000 0.288 262 Y C 2.500 178.416 175.900 0.027 0.000 1.136 262 Y CA 2.168 60.286 58.100 0.030 0.000 1.147 262 Y CB 0.004 38.480 38.460 0.026 0.000 0.987 262 Y HN 0.493 nan 8.280 nan 0.000 0.509 263 I N 0.498 120.988 120.570 -0.135 0.000 2.179 263 I HA -0.288 3.876 4.170 -0.009 0.000 0.242 263 I C 2.367 178.382 176.117 -0.170 0.000 1.088 263 I CA 1.457 62.633 61.300 -0.206 0.000 1.357 263 I CB -1.333 36.661 38.000 -0.011 0.000 1.051 263 I HN 0.355 nan 8.210 nan 0.000 0.409 264 Q N 0.627 120.379 119.800 -0.080 0.000 2.124 264 Q HA -0.126 4.208 4.340 -0.009 0.000 0.202 264 Q C 2.348 178.308 176.000 -0.068 0.000 0.977 264 Q CA 1.820 57.591 55.803 -0.053 0.000 0.850 264 Q CB -0.280 28.448 28.738 -0.017 0.000 0.901 264 Q HN 0.545 nan 8.270 nan 0.000 0.429 265 A N -0.220 122.548 122.820 -0.088 0.000 1.902 265 A HA -0.133 4.182 4.320 -0.009 0.000 0.217 265 A C 2.371 179.893 177.584 -0.103 0.000 1.181 265 A CA 1.645 53.641 52.037 -0.069 0.000 0.623 265 A CB -0.629 18.344 19.000 -0.044 0.000 0.818 265 A HN 0.231 nan 8.150 nan 0.000 0.443 266 V N 0.179 119.966 119.914 -0.211 0.000 2.427 266 V HA -0.202 3.912 4.120 -0.009 0.000 0.248 266 V C 2.466 178.502 176.094 -0.097 0.000 1.051 266 V CA 1.705 63.896 62.300 -0.183 0.000 1.048 266 V CB -0.671 30.969 31.823 -0.305 0.000 0.666 266 V HN 0.556 nan 8.190 nan 0.000 0.456 267 L N -0.373 120.796 121.223 -0.090 0.000 2.217 267 L HA -0.097 4.237 4.340 -0.009 0.000 0.211 267 L C 1.935 178.790 176.870 -0.026 0.000 1.107 267 L CA 1.077 55.889 54.840 -0.047 0.000 0.783 267 L CB -0.600 41.435 42.059 -0.041 0.000 0.919 267 L HN 0.322 nan 8.230 nan 0.000 0.442 268 D N 0.130 120.513 120.400 -0.028 0.000 2.363 268 D HA -0.061 4.573 4.640 -0.009 0.000 0.220 268 D C 2.130 178.430 176.300 -0.000 0.000 0.994 268 D CA 0.428 54.421 54.000 -0.011 0.000 0.890 268 D CB 0.076 40.870 40.800 -0.009 0.000 0.906 268 D HN 0.236 nan 8.370 nan 0.000 0.530 269 R N 0.487 120.987 120.500 -0.001 0.000 2.152 269 R HA -0.002 4.333 4.340 -0.009 0.000 0.232 269 R C 0.455 176.768 176.300 0.021 0.000 1.117 269 R CA 0.556 56.666 56.100 0.016 0.000 0.981 269 R CB -0.101 30.209 30.300 0.016 0.000 0.870 269 R HN 0.076 nan 8.270 nan 0.000 0.451 270 N N 1.089 119.799 118.700 0.016 0.000 3.178 270 N HA 0.014 4.748 4.740 -0.009 0.000 0.300 270 N C 0.039 175.558 175.510 0.015 0.000 1.242 270 N CA 0.454 53.518 53.050 0.023 0.000 1.192 270 N CB 1.078 39.581 38.487 0.025 0.000 1.463 270 N HN 0.112 nan 8.380 nan 0.000 0.539 271 L N -0.480 120.749 121.223 0.010 0.000 3.174 271 L HA 0.219 4.554 4.340 -0.009 0.000 0.313 271 L C 1.656 178.518 176.870 -0.014 0.000 1.021 271 L CA 0.471 55.311 54.840 0.000 0.000 1.269 271 L CB -0.215 41.843 42.059 -0.000 0.000 2.173 271 L HN 0.233 nan 8.230 nan 0.000 0.591 272 A N -0.760 122.057 122.820 -0.005 0.000 1.997 272 A HA 0.077 4.391 4.320 -0.009 0.000 0.212 272 A C 1.750 179.314 177.584 -0.033 0.000 1.178 272 A CA 0.888 52.915 52.037 -0.015 0.000 0.698 272 A CB -0.126 18.894 19.000 0.034 0.000 0.842 272 A HN 0.399 nan 8.150 nan 0.000 0.458 273 E N 0.267 120.466 120.200 -0.000 0.000 2.435 273 E HA -0.043 4.301 4.350 -0.009 0.000 0.195 273 E C 0.817 177.420 176.600 0.005 0.000 1.029 273 E CA 0.056 56.461 56.400 0.010 0.000 0.865 273 E CB -0.046 29.682 29.700 0.047 0.000 0.833 273 E HN 0.403 nan 8.360 nan 0.000 0.510 274 N N 0.866 119.566 118.700 0.001 0.000 2.512 274 N HA -0.041 4.693 4.740 -0.009 0.000 0.183 274 N C 1.507 177.024 175.510 0.012 0.000 1.073 274 N CA 0.486 53.552 53.050 0.027 0.000 0.911 274 N CB 0.054 38.555 38.487 0.022 0.000 0.964 274 N HN 0.247 nan 8.380 nan 0.000 0.447 275 I N 0.188 120.709 120.570 -0.082 0.000 2.264 275 I HA -0.226 3.938 4.170 -0.009 0.000 0.248 275 I C 1.291 177.364 176.117 -0.073 0.000 1.111 275 I CA 1.167 62.374 61.300 -0.155 0.000 1.382 275 I CB -0.063 37.676 38.000 -0.436 0.000 1.060 275 I HN 0.117 nan 8.210 nan 0.000 0.418 276 S N -0.753 114.918 115.700 -0.049 0.000 2.601 276 S HA 0.197 4.661 4.470 -0.009 0.000 0.244 276 S C 1.427 176.173 174.600 0.243 0.000 1.001 276 S CA -0.615 57.648 58.200 0.105 0.000 0.984 276 S CB 0.246 63.490 63.200 0.074 0.000 0.842 276 S HN 0.217 nan 8.310 nan 0.000 0.474 277 R N 1.188 121.827 120.500 0.231 0.000 2.073 277 R HA 0.265 4.600 4.340 -0.009 0.000 0.229 277 R C 0.387 176.934 176.300 0.410 0.000 1.120 277 R CA 1.178 57.456 56.100 0.297 0.000 0.967 277 R CB -0.094 30.351 30.300 0.240 0.000 0.862 277 R HN 0.390 nan 8.270 nan 0.000 0.436 278 V N 0.360 120.464 119.914 0.317 0.000 2.932 278 V HA 0.359 4.473 4.120 -0.009 0.000 0.307 278 V C -1.578 174.438 176.094 -0.130 0.000 1.147 278 V CA -1.334 61.066 62.300 0.167 0.000 0.951 278 V CB 1.790 33.652 31.823 0.064 0.000 1.031 278 V HN 0.169 nan 8.190 nan 0.000 0.426 279 L N 6.326 127.239 121.223 -0.517 0.000 2.380 279 L HA 0.521 4.856 4.340 -0.009 0.000 0.273 279 L C -0.944 175.733 176.870 -0.322 0.000 1.138 279 L CA 0.353 54.688 54.840 -0.842 0.000 0.832 279 L CB 0.758 42.227 42.059 -0.982 0.000 1.124 279 L HN 0.697 nan 8.230 nan 0.000 0.454 280 Y N 6.195 126.395 120.300 -0.166 0.000 2.496 280 Y HA 0.237 4.781 4.550 -0.010 0.000 0.334 280 Y C -1.433 174.455 175.900 -0.021 0.000 1.080 280 Y CA -1.444 56.636 58.100 -0.033 0.000 1.355 280 Y CB 0.453 38.922 38.460 0.015 0.000 1.193 280 Y HN 0.562 nan 8.280 nan 0.000 0.523 281 P HA 0.000 nan 4.420 nan 0.000 0.259 281 P C -0.880 176.537 177.300 0.195 0.000 1.480 281 P CA 0.196 63.389 63.100 0.155 0.000 0.842 281 P CB -0.006 31.880 31.700 0.310 0.000 1.513 282 N N 1.269 120.095 118.700 0.210 0.000 2.434 282 N HA 0.135 4.869 4.740 -0.009 0.000 0.272 282 N C -0.456 175.198 175.510 0.240 0.000 1.040 282 N CA 0.196 53.391 53.050 0.242 0.000 0.956 282 N CB 1.214 39.885 38.487 0.306 0.000 1.108 282 N HN 0.117 nan 8.380 nan 0.000 0.481 283 D N 2.008 122.582 120.400 0.291 0.000 2.344 283 D HA 0.126 4.760 4.640 -0.009 0.000 0.239 283 D C -0.386 176.202 176.300 0.480 0.000 1.064 283 D CA -0.224 53.983 54.000 0.345 0.000 0.829 283 D CB 0.465 41.486 40.800 0.368 0.000 1.129 283 D HN 0.347 nan 8.370 nan 0.000 0.506 284 N N 2.864 121.766 118.700 0.337 0.000 2.725 284 N HA -0.259 4.475 4.740 -0.009 0.000 0.251 284 N C -1.206 174.531 175.510 0.378 0.000 1.031 284 N CA 0.790 54.000 53.050 0.266 0.000 0.720 284 N CB -1.006 37.551 38.487 0.117 0.000 0.930 284 N HN 0.426 nan 8.380 nan 0.000 0.543 285 F N 0.660 120.712 119.950 0.171 0.000 2.622 285 F HA 0.414 4.935 4.527 -0.010 0.000 0.318 285 F C -1.391 174.491 175.800 0.136 0.000 1.135 285 F CA -1.120 56.952 58.000 0.121 0.000 1.015 285 F CB 0.842 39.875 39.000 0.056 0.000 1.275 285 F HN -0.054 nan 8.300 nan 0.000 0.457 286 F N 5.858 125.397 119.950 -0.686 0.000 2.415 286 F HA 0.546 5.067 4.527 -0.010 0.000 0.348 286 F C -0.617 174.844 175.800 -0.564 0.000 1.119 286 F CA -0.337 57.356 58.000 -0.511 0.000 1.069 286 F CB 0.996 39.710 39.000 -0.476 0.000 1.124 286 F HN 0.517 nan 8.300 nan 0.000 0.472 287 E N 3.663 123.294 120.200 -0.947 0.000 2.182 287 E HA 0.301 4.645 4.350 -0.009 0.000 0.258 287 E C -0.220 175.652 176.600 -1.213 0.000 0.879 287 E CA -0.654 55.252 56.400 -0.823 0.000 0.754 287 E CB 1.394 30.965 29.700 -0.213 0.000 1.162 287 E HN 0.944 nan 8.360 nan 0.000 0.419 288 G N 4.668 112.690 108.800 -1.296 0.000 3.316 288 G HA2 0.035 3.990 3.960 -0.009 0.000 0.255 288 G HA3 0.035 3.990 3.960 -0.009 0.000 0.255 288 G C 0.110 174.964 174.900 -0.077 0.000 0.880 288 G CA -0.198 44.368 45.100 -0.889 0.000 1.956 288 G HN 0.138 nan 8.290 nan 0.000 0.634 289 K N 0.305 120.717 120.400 0.019 0.000 2.098 289 K HA 0.227 4.542 4.320 -0.009 0.000 0.258 289 K C 0.890 177.627 176.600 0.227 0.000 0.973 289 K CA -0.794 55.571 56.287 0.130 0.000 0.898 289 K CB 2.163 34.724 32.500 0.103 0.000 1.057 289 K HN 0.368 nan 8.250 nan 0.000 0.447 290 E N 1.054 121.343 120.200 0.148 0.000 2.110 290 E HA -0.185 4.159 4.350 -0.009 0.000 0.193 290 E C 1.512 178.131 176.600 0.032 0.000 0.988 290 E CA 0.803 57.239 56.400 0.061 0.000 0.804 290 E CB 0.177 29.915 29.700 0.063 0.000 0.745 290 E HN 0.373 nan 8.360 nan 0.000 0.458 291 L N 1.402 122.689 121.223 0.107 0.000 2.079 291 L HA -0.182 4.152 4.340 -0.009 0.000 0.210 291 L C 2.372 179.334 176.870 0.154 0.000 1.081 291 L CA 1.605 56.532 54.840 0.145 0.000 0.752 291 L CB -0.562 41.665 42.059 0.281 0.000 0.896 291 L HN 0.022 nan 8.230 nan 0.000 0.433 292 R N -0.472 120.064 120.500 0.061 0.000 2.070 292 R HA -0.136 4.199 4.340 -0.009 0.000 0.233 292 R C 2.247 178.601 176.300 0.090 0.000 1.137 292 R CA 1.803 57.886 56.100 -0.029 0.000 0.945 292 R CB -1.336 28.828 30.300 -0.226 0.000 0.845 292 R HN 0.413 nan 8.270 nan 0.000 0.430 293 L N 1.566 122.753 121.223 -0.062 0.000 2.079 293 L HA -0.166 4.168 4.340 -0.009 0.000 0.210 293 L C 1.953 178.764 176.870 -0.098 0.000 1.081 293 L CA 1.952 56.548 54.840 -0.406 0.000 0.752 293 L CB -0.407 41.076 42.059 -0.960 0.000 0.896 293 L HN 0.082 nan 8.230 nan 0.000 0.433 294 K N -1.202 119.185 120.400 -0.023 0.000 2.148 294 K HA -0.158 4.157 4.320 -0.009 0.000 0.204 294 K C 2.097 178.845 176.600 0.246 0.000 1.050 294 K CA 1.509 57.850 56.287 0.089 0.000 0.942 294 K CB -0.083 32.304 32.500 -0.188 0.000 0.724 294 K HN 0.521 nan 8.250 nan 0.000 0.446 295 Q N 0.356 120.276 119.800 0.200 0.000 2.079 295 Q HA -0.156 4.178 4.340 -0.009 0.000 0.200 295 Q C 1.828 178.027 176.000 0.332 0.000 0.974 295 Q CA 1.239 57.214 55.803 0.287 0.000 0.840 295 Q CB 0.060 28.992 28.738 0.323 0.000 0.898 295 Q HN 0.358 nan 8.270 nan 0.000 0.430 296 E N -0.106 120.247 120.200 0.254 0.000 2.077 296 E HA -0.216 4.128 4.350 -0.009 0.000 0.193 296 E C 1.678 178.393 176.600 0.193 0.000 0.989 296 E CA 1.082 57.614 56.400 0.221 0.000 0.800 296 E CB -0.091 29.721 29.700 0.186 0.000 0.746 296 E HN 0.323 nan 8.360 nan 0.000 0.452 297 Y N 0.108 120.464 120.300 0.093 0.000 2.286 297 Y HA -0.155 4.390 4.550 -0.009 0.000 0.293 297 Y C 1.904 177.847 175.900 0.071 0.000 1.124 297 Y CA 0.862 58.971 58.100 0.013 0.000 1.178 297 Y CB -0.292 38.136 38.460 -0.053 0.000 1.010 297 Y HN 0.014 nan 8.280 nan 0.000 0.536 298 F N -0.399 119.544 119.950 -0.011 0.000 2.095 298 F HA -0.219 4.302 4.527 -0.010 0.000 0.298 298 F C 2.382 178.037 175.800 -0.242 0.000 1.104 298 F CA 1.950 59.902 58.000 -0.079 0.000 1.232 298 F CB -0.884 38.228 39.000 0.186 0.000 0.987 298 F HN -0.059 nan 8.300 nan 0.000 0.475 299 V N -0.604 119.289 119.914 -0.036 0.000 2.453 299 V HA -0.166 3.948 4.120 -0.009 0.000 0.247 299 V C 2.144 178.082 176.094 -0.260 0.000 1.048 299 V CA 1.763 63.993 62.300 -0.117 0.000 1.049 299 V CB -0.244 31.713 31.823 0.223 0.000 0.672 299 V HN 0.254 nan 8.190 nan 0.000 0.457 300 V N 0.469 120.237 119.914 -0.243 0.000 2.270 300 V HA -0.169 3.946 4.120 -0.009 0.000 0.245 300 V C 2.817 178.640 176.094 -0.451 0.000 1.043 300 V CA 2.098 64.236 62.300 -0.270 0.000 1.014 300 V CB -1.078 30.641 31.823 -0.173 0.000 0.645 300 V HN 0.632 nan 8.190 nan 0.000 0.447 301 A N -0.032 122.351 122.820 -0.729 0.000 1.865 301 A HA -0.177 4.138 4.320 -0.009 0.000 0.217 301 A C 2.407 179.614 177.584 -0.629 0.000 1.191 301 A CA 2.404 54.000 52.037 -0.735 0.000 0.623 301 A CB -0.922 17.427 19.000 -1.086 0.000 0.826 301 A HN 0.583 nan 8.150 nan 0.000 0.444 302 A N -1.255 121.032 122.820 -0.888 0.000 1.898 302 A HA -0.058 4.256 4.320 -0.009 0.000 0.216 302 A C 2.313 179.382 177.584 -0.859 0.000 1.181 302 A CA 2.270 53.608 52.037 -1.164 0.000 0.620 302 A CB -1.300 16.379 19.000 -2.201 0.000 0.819 302 A HN 0.439 nan 8.150 nan 0.000 0.442 303 T N 0.423 114.592 114.554 -0.642 0.000 2.746 303 T HA -0.103 4.242 4.350 -0.009 0.000 0.267 303 T C 1.810 176.228 174.700 -0.469 0.000 1.039 303 T CA 1.480 63.330 62.100 -0.417 0.000 1.142 303 T CB -0.366 68.252 68.868 -0.416 0.000 0.866 303 T HN 0.335 nan 8.240 nan 0.000 0.444 304 L N 0.628 121.621 121.223 -0.385 0.000 2.083 304 L HA -0.133 4.201 4.340 -0.009 0.000 0.209 304 L C 2.900 179.641 176.870 -0.215 0.000 1.083 304 L CA 1.307 55.972 54.840 -0.292 0.000 0.752 304 L CB -0.453 41.474 42.059 -0.221 0.000 0.899 304 L HN 0.337 nan 8.230 nan 0.000 0.433 305 Q N -0.639 119.036 119.800 -0.207 0.000 2.124 305 Q HA -0.244 4.090 4.340 -0.009 0.000 0.202 305 Q C 1.702 177.661 176.000 -0.068 0.000 0.977 305 Q CA 1.663 57.396 55.803 -0.117 0.000 0.850 305 Q CB -0.091 28.572 28.738 -0.126 0.000 0.901 305 Q HN 0.409 nan 8.270 nan 0.000 0.429 306 D N 0.535 120.883 120.400 -0.086 0.000 2.117 306 D HA -0.088 4.547 4.640 -0.009 0.000 0.198 306 D C 1.659 177.892 176.300 -0.111 0.000 0.982 306 D CA 0.832 54.822 54.000 -0.017 0.000 0.828 306 D CB 0.005 40.884 40.800 0.131 0.000 0.967 306 D HN 0.151 nan 8.370 nan 0.000 0.464 307 I N 0.084 120.478 120.570 -0.294 0.000 2.226 307 I HA -0.223 3.941 4.170 -0.009 0.000 0.245 307 I C 2.231 178.340 176.117 -0.014 0.000 1.100 307 I CA 0.736 61.809 61.300 -0.379 0.000 1.374 307 I CB -0.081 37.537 38.000 -0.636 0.000 1.057 307 I HN 0.045 nan 8.210 nan 0.000 0.413 308 I N 0.267 120.878 120.570 0.069 0.000 2.439 308 I HA -0.258 3.906 4.170 -0.009 0.000 0.251 308 I C 2.754 179.006 176.117 0.225 0.000 1.139 308 I CA 0.956 62.405 61.300 0.248 0.000 1.438 308 I CB -0.307 37.798 38.000 0.176 0.000 1.085 308 I HN 0.189 nan 8.210 nan 0.000 0.427 309 R N 1.123 121.692 120.500 0.116 0.000 2.081 309 R HA -0.188 4.146 4.340 -0.009 0.000 0.235 309 R C 2.433 178.792 176.300 0.098 0.000 1.131 309 R CA 1.481 57.638 56.100 0.096 0.000 0.960 309 R CB -0.229 30.107 30.300 0.060 0.000 0.856 309 R HN 0.194 nan 8.270 nan 0.000 0.436 310 R N -0.592 119.965 120.500 0.095 0.000 2.096 310 R HA -0.159 4.175 4.340 -0.009 0.000 0.235 310 R C 2.137 178.523 176.300 0.143 0.000 1.127 310 R CA 1.769 57.934 56.100 0.110 0.000 0.968 310 R CB -0.340 30.020 30.300 0.100 0.000 0.861 310 R HN 0.280 nan 8.270 nan 0.000 0.440 311 F N 1.513 121.471 119.950 0.013 0.000 2.146 311 F HA -0.092 4.430 4.527 -0.010 0.000 0.298 311 F C 1.715 177.461 175.800 -0.090 0.000 1.096 311 F CA 1.406 59.368 58.000 -0.062 0.000 1.275 311 F CB 0.007 38.987 39.000 -0.033 0.000 1.008 311 F HN -0.173 nan 8.300 nan 0.000 0.480 312 K N 0.003 120.377 120.400 -0.042 0.000 2.281 312 K HA -0.108 4.206 4.320 -0.009 0.000 0.203 312 K C 2.050 178.576 176.600 -0.122 0.000 1.046 312 K CA 1.292 57.491 56.287 -0.146 0.000 0.938 312 K CB -0.178 32.342 32.500 0.032 0.000 0.737 312 K HN 0.299 nan 8.250 nan 0.000 0.458 313 S N 0.000 115.672 115.700 -0.046 0.000 2.310 313 S HA -0.019 4.445 4.470 -0.009 0.000 0.205 313 S C 1.280 175.884 174.600 0.007 0.000 1.020 313 S CA 0.166 58.384 58.200 0.029 0.000 0.939 313 S CB -0.034 63.241 63.200 0.125 0.000 0.919 313 S HN 0.234 nan 8.310 nan 0.000 0.501 314 S N 0.907 116.616 115.700 0.015 0.000 4.134 314 S HA -0.302 4.162 4.470 -0.009 0.000 0.538 314 S C 1.071 175.661 174.600 -0.018 0.000 1.224 314 S CA 2.186 60.392 58.200 0.011 0.000 3.613 314 S CB -0.653 62.551 63.200 0.007 0.000 2.065 314 S HN 0.485 nan 8.310 nan 0.000 0.493 315 K N -0.731 119.707 120.400 0.064 0.000 2.477 315 K HA 0.441 4.755 4.320 -0.009 0.000 0.208 315 K C 1.015 177.511 176.600 -0.173 0.000 1.117 315 K CA 0.022 56.251 56.287 -0.098 0.000 1.039 315 K CB 0.218 32.612 32.500 -0.177 0.000 0.937 315 K HN 0.323 nan 8.250 nan 0.000 0.570 316 F N -0.428 119.372 119.950 -0.250 0.000 2.387 316 F HA 0.207 4.728 4.527 -0.010 0.000 0.294 316 F C 1.820 177.501 175.800 -0.199 0.000 1.093 316 F CA 0.429 58.273 58.000 -0.260 0.000 1.420 316 F CB -0.184 38.544 39.000 -0.452 0.000 1.086 316 F HN 0.001 nan 8.300 nan 0.000 0.531 317 G N -1.663 107.149 108.800 0.020 0.000 3.452 317 G HA2 0.232 4.186 3.960 -0.009 0.000 0.258 317 G HA3 0.232 4.186 3.960 -0.009 0.000 0.258 317 G C 0.365 175.264 174.900 -0.002 0.000 1.305 317 G CA 0.414 45.514 45.100 -0.001 0.000 1.514 317 G HN 0.439 nan 8.290 nan 0.000 0.593 318 C N -1.415 117.867 119.300 -0.029 0.000 3.489 318 C HA 0.357 4.811 4.460 -0.009 0.000 0.408 318 C C 1.320 176.274 174.990 -0.060 0.000 1.581 318 C CA 0.770 59.764 59.018 -0.041 0.000 2.051 318 C CB 0.477 28.179 27.740 -0.064 0.000 2.483 318 C HN 0.592 nan 8.230 nan 0.000 0.495 319 R N 0.996 121.434 120.500 -0.103 0.000 3.342 319 R HA 0.364 4.698 4.340 -0.009 0.000 0.093 319 R C -0.340 175.853 176.300 -0.179 0.000 0.672 319 R CA 0.976 57.009 56.100 -0.112 0.000 0.495 319 R CB -1.034 29.205 30.300 -0.101 0.000 0.508 319 R HN 0.285 nan 8.270 nan 0.000 0.335 320 D N -0.194 120.064 120.400 -0.237 0.000 3.455 320 D HA -0.137 4.497 4.640 -0.009 0.000 0.216 320 D C -1.614 174.579 176.300 -0.179 0.000 1.510 320 D CA 1.495 55.300 54.000 -0.325 0.000 1.128 320 D CB -1.229 39.154 40.800 -0.695 0.000 0.680 320 D HN 0.401 nan 8.370 nan 0.000 0.828 321 P HA 0.030 nan 4.420 nan 0.000 0.222 321 P C 0.385 177.669 177.300 -0.027 0.000 1.147 321 P CA 0.901 63.971 63.100 -0.051 0.000 0.790 321 P CB 0.221 31.920 31.700 -0.002 0.000 0.780 322 V N -0.566 119.331 119.914 -0.028 0.000 3.497 322 V HA -0.213 3.902 4.120 -0.009 0.000 0.484 322 V C -0.248 175.859 176.094 0.023 0.000 0.682 322 V CA 1.184 63.480 62.300 -0.006 0.000 2.014 322 V CB -1.226 30.587 31.823 -0.016 0.000 2.451 322 V HN 0.576 nan 8.190 nan 0.000 0.502 323 R N 2.891 123.416 120.500 0.041 0.000 7.363 323 R HA 0.014 4.348 4.340 -0.009 0.000 0.261 323 R C 0.039 176.385 176.300 0.076 0.000 0.794 323 R CA 0.515 56.650 56.100 0.058 0.000 1.826 323 R CB -0.285 30.052 30.300 0.062 0.000 1.258 323 R HN 0.821 nan 8.270 nan 0.000 0.877 324 T N 2.889 117.483 114.554 0.067 0.000 3.042 324 T HA -0.054 4.291 4.350 -0.009 0.000 0.220 324 T C 0.258 174.992 174.700 0.057 0.000 1.051 324 T CA 0.401 62.514 62.100 0.022 0.000 2.347 324 T CB -0.869 68.028 68.868 0.049 0.000 1.061 324 T HN 0.351 nan 8.240 nan 0.000 0.540 325 N N 1.276 120.031 118.700 0.092 0.000 2.406 325 N HA 0.268 5.002 4.740 -0.009 0.000 0.251 325 N C 0.183 175.774 175.510 0.136 0.000 1.069 325 N CA -0.464 52.683 53.050 0.161 0.000 0.947 325 N CB 0.384 38.980 38.487 0.182 0.000 1.111 325 N HN 0.375 nan 8.380 nan 0.000 0.497 326 F N 0.640 120.675 119.950 0.142 0.000 2.804 326 F HA 0.046 4.568 4.527 -0.010 0.000 0.303 326 F C 1.533 177.372 175.800 0.066 0.000 1.154 326 F CA 0.128 58.168 58.000 0.066 0.000 1.401 326 F CB 0.183 39.103 39.000 -0.133 0.000 1.106 326 F HN 0.558 nan 8.300 nan 0.000 0.568 327 D N 0.234 120.774 120.400 0.233 0.000 2.219 327 D HA -0.116 4.518 4.640 -0.009 0.000 0.205 327 D C 2.117 178.523 176.300 0.177 0.000 0.970 327 D CA 1.156 55.262 54.000 0.175 0.000 0.851 327 D CB 0.132 41.024 40.800 0.153 0.000 0.943 327 D HN 0.324 nan 8.370 nan 0.000 0.488 328 A N -0.096 122.866 122.820 0.237 0.000 2.275 328 A HA 0.050 4.364 4.320 -0.009 0.000 0.212 328 A C 1.557 179.216 177.584 0.125 0.000 1.201 328 A CA -0.333 51.855 52.037 0.251 0.000 0.843 328 A CB -0.481 18.813 19.000 0.491 0.000 0.873 328 A HN 0.082 nan 8.150 nan 0.000 0.492 329 F N 2.171 121.995 119.950 -0.210 0.000 2.065 329 F HA -0.110 4.411 4.527 -0.009 0.000 0.298 329 F C -0.845 174.791 175.800 -0.274 0.000 1.112 329 F CA 2.291 59.936 58.000 -0.592 0.000 1.212 329 F CB -0.784 37.922 39.000 -0.489 0.000 0.975 329 F HN 0.189 nan 8.300 nan 0.000 0.476 330 P HA -0.089 nan 4.420 nan 0.000 0.225 330 P C 0.688 177.940 177.300 -0.081 0.000 1.148 330 P CA 1.454 64.512 63.100 -0.071 0.000 0.779 330 P CB -0.073 31.623 31.700 -0.007 0.000 0.780 331 D N -1.070 119.306 120.400 -0.039 0.000 2.333 331 D HA -0.002 4.633 4.640 -0.009 0.000 0.208 331 D C 1.547 177.847 176.300 0.001 0.000 0.984 331 D CA 0.777 54.783 54.000 0.011 0.000 0.873 331 D CB 0.180 41.029 40.800 0.081 0.000 0.935 331 D HN 0.102 nan 8.370 nan 0.000 0.521 332 K N -0.103 120.254 120.400 -0.071 0.000 2.425 332 K HA 0.218 4.532 4.320 -0.009 0.000 0.201 332 K C 0.051 176.542 176.600 -0.181 0.000 1.128 332 K CA 0.102 56.356 56.287 -0.054 0.000 1.000 332 K CB 2.179 34.737 32.500 0.097 0.000 0.961 332 K HN -0.062 nan 8.250 nan 0.000 0.555 333 V N 0.795 120.493 119.914 -0.359 0.000 2.789 333 V HA 0.717 4.832 4.120 -0.009 0.000 0.311 333 V C -1.165 174.814 176.094 -0.192 0.000 1.073 333 V CA -1.239 60.849 62.300 -0.353 0.000 0.921 333 V CB 1.937 33.246 31.823 -0.856 0.000 1.009 333 V HN 0.114 nan 8.190 nan 0.000 0.426 334 A N 4.813 127.585 122.820 -0.080 0.000 2.402 334 A HA 0.877 5.191 4.320 -0.009 0.000 0.291 334 A C -1.117 176.480 177.584 0.022 0.000 1.051 334 A CA -0.409 51.619 52.037 -0.016 0.000 0.716 334 A CB 1.245 20.196 19.000 -0.081 0.000 1.223 334 A HN 1.279 nan 8.150 nan 0.000 0.425 335 I N 0.587 121.222 120.570 0.107 0.000 2.389 335 I HA 0.719 4.884 4.170 -0.009 0.000 0.288 335 I C -0.592 175.611 176.117 0.143 0.000 0.999 335 I CA -0.431 60.947 61.300 0.131 0.000 1.129 335 I CB 1.840 39.900 38.000 0.100 0.000 1.288 335 I HN 0.536 nan 8.210 nan 0.000 0.444 336 Q N 5.884 125.771 119.800 0.145 0.000 2.278 336 Q HA 0.520 4.854 4.340 -0.009 0.000 0.257 336 Q C -1.601 174.399 176.000 0.000 0.000 0.928 336 Q CA -0.436 55.482 55.803 0.191 0.000 0.932 336 Q CB 1.434 30.409 28.738 0.395 0.000 1.221 336 Q HN 0.769 nan 8.270 nan 0.000 0.434 337 L N 4.396 125.656 121.223 0.062 0.000 2.261 337 L HA 0.320 4.655 4.340 -0.009 0.000 0.289 337 L C -0.282 176.617 176.870 0.049 0.000 1.059 337 L CA -0.160 54.709 54.840 0.048 0.000 0.816 337 L CB 0.446 42.582 42.059 0.129 0.000 1.191 337 L HN 0.621 nan 8.230 nan 0.000 0.431 338 N N 4.109 122.762 118.700 -0.078 0.000 2.508 338 N HA 0.127 4.861 4.740 -0.009 0.000 0.253 338 N C -0.128 175.425 175.510 0.072 0.000 1.145 338 N CA 0.465 53.530 53.050 0.026 0.000 0.973 338 N CB -0.128 38.292 38.487 -0.112 0.000 1.305 338 N HN 0.549 nan 8.380 nan 0.000 0.506 339 D N -0.275 120.250 120.400 0.208 0.000 4.808 339 D HA -0.220 4.415 4.640 -0.009 0.000 0.304 339 D C 0.334 176.702 176.300 0.113 0.000 2.360 339 D CA 1.465 55.557 54.000 0.154 0.000 1.222 339 D CB -0.493 40.133 40.800 -0.290 0.000 1.085 339 D HN 0.500 nan 8.370 nan 0.000 1.266 340 T N -2.253 112.296 114.554 -0.008 0.000 3.129 340 T HA 0.100 4.444 4.350 -0.009 0.000 0.251 340 T C 1.612 176.362 174.700 0.084 0.000 1.117 340 T CA 1.482 63.560 62.100 -0.037 0.000 1.034 340 T CB -0.514 68.299 68.868 -0.092 0.000 0.968 340 T HN 0.500 nan 8.240 nan 0.000 0.526 341 H N 2.429 121.575 119.070 0.128 0.000 2.387 341 H HA 0.014 4.564 4.556 -0.009 0.000 0.299 341 H C -0.874 174.536 175.328 0.136 0.000 1.099 341 H CA 0.895 57.036 56.048 0.154 0.000 1.315 341 H CB -0.708 29.149 29.762 0.159 0.000 1.380 341 H HN 0.450 nan 8.280 nan 0.000 0.513 342 P HA 0.077 nan 4.420 nan 0.000 0.259 342 P C 0.857 178.196 177.300 0.066 0.000 1.530 342 P CA 0.329 63.505 63.100 0.125 0.000 1.022 342 P CB 0.406 32.167 31.700 0.103 0.000 1.514 343 S N -0.171 115.561 115.700 0.054 0.000 2.440 343 S HA -0.119 4.346 4.470 -0.009 0.000 0.238 343 S C 1.668 176.273 174.600 0.008 0.000 1.010 343 S CA 0.786 58.981 58.200 -0.009 0.000 0.972 343 S CB -1.451 61.718 63.200 -0.052 0.000 0.774 343 S HN 0.151 nan 8.310 nan 0.000 0.501 344 L N 0.853 122.100 121.223 0.040 0.000 2.633 344 L HA 0.100 4.434 4.340 -0.009 0.000 0.235 344 L C 2.828 179.743 176.870 0.074 0.000 1.163 344 L CA 0.520 55.395 54.840 0.059 0.000 0.859 344 L CB -0.656 41.448 42.059 0.075 0.000 0.973 344 L HN 0.486 nan 8.230 nan 0.000 0.451 345 A N 0.464 123.300 122.820 0.026 0.000 1.972 345 A HA -0.166 4.148 4.320 -0.009 0.000 0.219 345 A C 2.157 179.732 177.584 -0.014 0.000 1.169 345 A CA 1.290 53.323 52.037 -0.007 0.000 0.635 345 A CB -0.354 18.632 19.000 -0.023 0.000 0.810 345 A HN 0.345 nan 8.150 nan 0.000 0.446 346 I N 0.382 120.946 120.570 -0.011 0.000 2.090 346 I HA -0.150 4.015 4.170 -0.009 0.000 0.236 346 I C -0.390 175.731 176.117 0.007 0.000 1.064 346 I CA 1.631 62.918 61.300 -0.021 0.000 1.324 346 I CB -0.940 37.053 38.000 -0.011 0.000 1.044 346 I HN 0.237 nan 8.210 nan 0.000 0.399 347 P HA -0.166 nan 4.420 nan 0.000 0.226 347 P C 1.182 178.461 177.300 -0.036 0.000 1.153 347 P CA 1.451 64.566 63.100 0.025 0.000 0.777 347 P CB 0.025 31.761 31.700 0.061 0.000 0.794 348 E N 0.024 120.270 120.200 0.076 0.000 2.158 348 E HA -0.107 4.238 4.350 -0.009 0.000 0.191 348 E C 1.864 178.421 176.600 -0.071 0.000 0.982 348 E CA 0.423 56.879 56.400 0.094 0.000 0.823 348 E CB -1.068 28.773 29.700 0.235 0.000 0.766 348 E HN -0.033 nan 8.360 nan 0.000 0.468 349 L N 0.120 121.277 121.223 -0.109 0.000 2.056 349 L HA -0.041 4.293 4.340 -0.009 0.000 0.207 349 L C 1.974 178.681 176.870 -0.272 0.000 1.078 349 L CA 1.702 56.421 54.840 -0.201 0.000 0.749 349 L CB -0.603 41.343 42.059 -0.190 0.000 0.901 349 L HN 0.241 nan 8.230 nan 0.000 0.433 350 M N -0.746 118.708 119.600 -0.244 0.000 2.117 350 M HA -0.193 4.282 4.480 -0.009 0.000 0.262 350 M C 2.413 178.519 176.300 -0.323 0.000 1.065 350 M CA 1.493 56.596 55.300 -0.329 0.000 1.114 350 M CB -1.173 31.226 32.600 -0.335 0.000 1.361 350 M HN 0.321 nan 8.290 nan 0.000 0.408 351 R N -0.022 120.311 120.500 -0.278 0.000 2.083 351 R HA -0.137 4.197 4.340 -0.009 0.000 0.237 351 R C 2.058 178.231 176.300 -0.211 0.000 1.137 351 R CA 1.647 57.588 56.100 -0.266 0.000 0.951 351 R CB -0.174 29.910 30.300 -0.361 0.000 0.851 351 R HN 0.198 nan 8.270 nan 0.000 0.434 352 V N 1.348 121.135 119.914 -0.210 0.000 2.270 352 V HA -0.246 3.868 4.120 -0.009 0.000 0.245 352 V C 2.443 178.364 176.094 -0.289 0.000 1.043 352 V CA 1.745 63.921 62.300 -0.207 0.000 1.014 352 V CB -0.410 31.287 31.823 -0.210 0.000 0.645 352 V HN 0.342 nan 8.190 nan 0.000 0.447 353 L N -0.563 120.417 121.223 -0.405 0.000 2.012 353 L HA -0.179 4.156 4.340 -0.009 0.000 0.210 353 L C 2.423 179.093 176.870 -0.332 0.000 1.073 353 L CA 1.360 55.896 54.840 -0.507 0.000 0.748 353 L CB -0.662 41.051 42.059 -0.576 0.000 0.891 353 L HN 0.211 nan 8.230 nan 0.000 0.431 354 V N -0.474 119.278 119.914 -0.270 0.000 2.273 354 V HA -0.214 3.900 4.120 -0.009 0.000 0.242 354 V C 2.045 178.080 176.094 -0.098 0.000 1.035 354 V CA 1.834 64.036 62.300 -0.164 0.000 1.013 354 V CB -0.384 31.351 31.823 -0.148 0.000 0.652 354 V HN 0.374 nan 8.190 nan 0.000 0.452 355 D N -0.078 120.260 120.400 -0.103 0.000 2.123 355 D HA -0.038 4.596 4.640 -0.009 0.000 0.200 355 D C 2.077 178.343 176.300 -0.057 0.000 0.976 355 D CA 1.206 55.168 54.000 -0.064 0.000 0.831 355 D CB -0.028 40.731 40.800 -0.068 0.000 0.974 355 D HN 0.319 nan 8.370 nan 0.000 0.469 356 L N 0.347 121.520 121.223 -0.083 0.000 2.189 356 L HA 0.071 4.405 4.340 -0.009 0.000 0.199 356 L C 2.024 178.857 176.870 -0.061 0.000 1.074 356 L CA 0.602 55.405 54.840 -0.062 0.000 0.783 356 L CB -0.215 41.806 42.059 -0.062 0.000 0.955 356 L HN -0.153 nan 8.230 nan 0.000 0.460 357 E N 0.762 120.890 120.200 -0.120 0.000 2.371 357 E HA -0.018 4.326 4.350 -0.009 0.000 0.194 357 E C 0.098 176.659 176.600 -0.064 0.000 1.012 357 E CA 0.037 56.377 56.400 -0.100 0.000 0.860 357 E CB 0.156 29.687 29.700 -0.283 0.000 0.811 357 E HN 0.276 nan 8.360 nan 0.000 0.502 358 R N -0.023 120.431 120.500 -0.078 0.000 3.322 358 R HA -0.186 4.149 4.340 -0.009 0.000 0.266 358 R C -0.505 175.776 176.300 -0.032 0.000 1.072 358 R CA 0.213 56.291 56.100 -0.037 0.000 0.715 358 R CB -2.518 27.781 30.300 -0.001 0.000 1.199 358 R HN 0.044 nan 8.270 nan 0.000 0.421 359 L N 1.532 122.708 121.223 -0.080 0.000 2.439 359 L HA 0.224 4.559 4.340 -0.009 0.000 0.259 359 L C 1.262 178.119 176.870 -0.021 0.000 1.129 359 L CA 0.040 54.844 54.840 -0.059 0.000 0.803 359 L CB 0.491 42.466 42.059 -0.139 0.000 1.161 359 L HN 0.148 nan 8.230 nan 0.000 0.462 360 D N -0.166 120.247 120.400 0.021 0.000 2.344 360 D HA -0.111 4.523 4.640 -0.009 0.000 0.244 360 D C 0.936 177.295 176.300 0.099 0.000 1.134 360 D CA -0.535 53.512 54.000 0.080 0.000 0.930 360 D CB 0.741 41.596 40.800 0.092 0.000 1.175 360 D HN 0.584 nan 8.370 nan 0.000 0.437 361 W N 2.023 123.326 121.300 0.004 0.000 2.301 361 W HA -0.254 4.400 4.660 -0.009 0.000 0.325 361 W C 1.202 177.765 176.519 0.074 0.000 1.250 361 W CA 2.054 59.409 57.345 0.017 0.000 1.261 361 W CB -0.311 29.140 29.460 -0.014 0.000 1.157 361 W HN 0.503 nan 8.180 nan 0.000 0.473 362 D N 0.025 120.628 120.400 0.338 0.000 2.149 362 D HA -0.205 4.429 4.640 -0.009 0.000 0.198 362 D C 2.043 178.444 176.300 0.167 0.000 0.990 362 D CA 1.345 55.514 54.000 0.281 0.000 0.839 362 D CB -0.383 40.556 40.800 0.233 0.000 0.948 362 D HN 0.116 nan 8.370 nan 0.000 0.460 363 K N 1.039 121.493 120.400 0.091 0.000 2.062 363 K HA -0.005 4.309 4.320 -0.009 0.000 0.205 363 K C 2.001 178.587 176.600 -0.023 0.000 1.051 363 K CA 0.835 57.148 56.287 0.044 0.000 0.941 363 K CB -0.224 32.298 32.500 0.036 0.000 0.719 363 K HN 0.017 nan 8.250 nan 0.000 0.440 364 A N 0.833 123.595 122.820 -0.097 0.000 1.902 364 A HA -0.185 4.129 4.320 -0.009 0.000 0.217 364 A C 2.129 179.607 177.584 -0.177 0.000 1.181 364 A CA 1.255 53.161 52.037 -0.219 0.000 0.623 364 A CB -1.043 17.752 19.000 -0.342 0.000 0.818 364 A HN 0.641 nan 8.150 nan 0.000 0.443 365 W N 0.722 121.816 121.300 -0.343 0.000 2.358 365 W HA -0.167 4.488 4.660 -0.009 0.000 0.303 365 W C 1.973 178.436 176.519 -0.094 0.000 1.208 365 W CA 1.848 59.049 57.345 -0.240 0.000 1.274 365 W CB -0.112 29.267 29.460 -0.135 0.000 1.138 365 W HN 0.606 nan 8.180 nan 0.000 0.515 366 E N 0.117 120.311 120.200 -0.011 0.000 2.038 366 E HA -0.235 4.109 4.350 -0.009 0.000 0.195 366 E C 2.064 178.579 176.600 -0.142 0.000 1.000 366 E CA 2.080 58.439 56.400 -0.069 0.000 0.803 366 E CB -0.367 29.350 29.700 0.029 0.000 0.750 366 E HN 0.051 nan 8.360 nan 0.000 0.448 367 V N 0.746 120.591 119.914 -0.114 0.000 2.287 367 V HA -0.286 3.828 4.120 -0.009 0.000 0.248 367 V C 2.449 178.459 176.094 -0.140 0.000 1.053 367 V CA 2.265 64.509 62.300 -0.094 0.000 1.027 367 V CB -0.838 30.916 31.823 -0.115 0.000 0.646 367 V HN 0.386 nan 8.190 nan 0.000 0.447 368 T N -0.000 114.395 114.554 -0.265 0.000 2.684 368 T HA -0.174 4.170 4.350 -0.009 0.000 0.267 368 T C 1.926 176.420 174.700 -0.344 0.000 1.036 368 T CA 1.779 63.694 62.100 -0.308 0.000 1.148 368 T CB -0.276 68.349 68.868 -0.405 0.000 0.863 368 T HN 0.288 nan 8.240 nan 0.000 0.436 369 V N 1.162 120.745 119.914 -0.552 0.000 2.490 369 V HA -0.142 3.972 4.120 -0.009 0.000 0.250 369 V C 2.348 178.380 176.094 -0.105 0.000 1.061 369 V CA 1.548 63.594 62.300 -0.423 0.000 1.064 369 V CB -0.473 31.036 31.823 -0.522 0.000 0.670 369 V HN 0.425 nan 8.190 nan 0.000 0.461 370 K N -0.235 120.093 120.400 -0.119 0.000 2.296 370 K HA -0.091 4.224 4.320 -0.009 0.000 0.200 370 K C 2.200 178.774 176.600 -0.043 0.000 1.048 370 K CA 1.490 57.709 56.287 -0.114 0.000 0.966 370 K CB -0.091 32.340 32.500 -0.115 0.000 0.754 370 K HN 0.638 nan 8.250 nan 0.000 0.466 371 T N -1.975 112.609 114.554 0.050 0.000 3.015 371 T HA 0.091 4.435 4.350 -0.009 0.000 0.250 371 T C 0.661 175.466 174.700 0.175 0.000 1.057 371 T CA -0.277 61.886 62.100 0.105 0.000 1.066 371 T CB -0.027 68.913 68.868 0.120 0.000 0.959 371 T HN 0.002 nan 8.240 nan 0.000 0.488 372 C N 2.605 121.990 119.300 0.143 0.000 2.401 372 C HA 0.918 5.372 4.460 -0.009 0.000 0.365 372 C C 0.567 175.602 174.990 0.074 0.000 1.250 372 C CA -0.792 58.285 59.018 0.098 0.000 2.131 372 C CB 0.174 27.910 27.740 -0.006 0.000 2.445 372 C HN 0.749 nan 8.230 nan 0.000 0.550 373 A N 2.189 125.046 122.820 0.061 0.000 2.486 373 A HA 0.730 5.044 4.320 -0.009 0.000 0.300 373 A C -1.571 176.068 177.584 0.093 0.000 1.048 373 A CA -0.374 51.642 52.037 -0.034 0.000 0.696 373 A CB 1.041 20.030 19.000 -0.019 0.000 1.278 373 A HN 0.890 nan 8.150 nan 0.000 0.405 374 Y N 1.108 121.338 120.300 -0.115 0.000 2.393 374 Y HA 0.710 5.255 4.550 -0.009 0.000 0.341 374 Y C -0.474 175.383 175.900 -0.072 0.000 0.988 374 Y CA -0.596 57.448 58.100 -0.093 0.000 1.078 374 Y CB 2.073 40.437 38.460 -0.159 0.000 1.203 374 Y HN 0.548 nan 8.280 nan 0.000 0.453 375 T N 6.873 121.174 114.554 -0.421 0.000 2.770 375 T HA 0.245 4.589 4.350 -0.009 0.000 0.283 375 T C -0.803 173.362 174.700 -0.892 0.000 0.988 375 T CA -0.836 60.937 62.100 -0.546 0.000 0.957 375 T CB 0.335 69.130 68.868 -0.122 0.000 0.930 375 T HN 0.672 nan 8.240 nan 0.000 0.443 376 N N 1.678 119.871 118.700 -0.846 0.000 2.456 376 N HA 0.151 4.885 4.740 -0.009 0.000 0.288 376 N C 0.074 175.427 175.510 -0.260 0.000 1.059 376 N CA -0.346 52.456 53.050 -0.414 0.000 0.946 376 N CB 0.797 39.227 38.487 -0.094 0.000 1.150 376 N HN 0.670 nan 8.380 nan 0.000 0.479 377 H N 0.881 119.986 119.070 0.059 0.000 2.986 377 H HA 0.153 4.704 4.556 -0.010 0.000 0.267 377 H C -0.106 175.131 175.328 -0.151 0.000 1.072 377 H CA 0.056 56.086 56.048 -0.031 0.000 1.202 377 H CB 1.244 30.993 29.762 -0.022 0.000 1.535 377 H HN 0.500 nan 8.280 nan 0.000 0.522 378 T N 0.294 114.866 114.554 0.030 0.000 2.840 378 T HA 0.278 4.623 4.350 -0.009 0.000 0.317 378 T C 0.416 175.121 174.700 0.009 0.000 1.401 378 T CA -0.382 61.675 62.100 -0.072 0.000 1.028 378 T CB 1.486 70.309 68.868 -0.074 0.000 1.317 378 T HN -0.047 nan 8.240 nan 0.000 0.495 379 V N 1.606 121.486 119.914 -0.057 0.000 3.528 379 V HA 0.500 4.615 4.120 -0.009 0.000 0.294 379 V C 0.843 176.891 176.094 -0.076 0.000 1.404 379 V CA -0.056 62.212 62.300 -0.053 0.000 1.065 379 V CB -0.785 31.015 31.823 -0.038 0.000 0.904 379 V HN 0.778 nan 8.190 nan 0.000 0.435 380 I N -0.592 119.920 120.570 -0.096 0.000 2.496 380 I HA 0.358 4.522 4.170 -0.009 0.000 0.285 380 I C -0.759 175.340 176.117 -0.031 0.000 1.080 380 I CA -1.828 59.439 61.300 -0.054 0.000 1.404 380 I CB 0.696 38.657 38.000 -0.064 0.000 1.403 380 I HN -0.068 nan 8.210 nan 0.000 0.539 381 P HA -0.253 nan 4.420 nan 0.000 0.216 381 P C 1.106 178.384 177.300 -0.036 0.000 1.150 381 P CA 1.613 64.698 63.100 -0.026 0.000 0.843 381 P CB -0.108 31.585 31.700 -0.012 0.000 0.787 382 E N 0.182 120.376 120.200 -0.010 0.000 2.478 382 E HA -0.046 4.299 4.350 -0.009 0.000 0.198 382 E C 1.604 178.116 176.600 -0.146 0.000 1.046 382 E CA 1.043 57.399 56.400 -0.074 0.000 0.870 382 E CB -0.658 29.077 29.700 0.058 0.000 0.818 382 E HN 0.210 nan 8.360 nan 0.000 0.527 383 A N 1.069 123.862 122.820 -0.045 0.000 2.147 383 A HA 0.187 4.502 4.320 -0.009 0.000 0.211 383 A C 1.200 178.758 177.584 -0.045 0.000 1.160 383 A CA -0.261 51.773 52.037 -0.006 0.000 0.781 383 A CB 0.102 19.119 19.000 0.030 0.000 0.842 383 A HN 0.144 nan 8.150 nan 0.000 0.475 384 L N 1.760 122.919 121.223 -0.107 0.000 2.410 384 L HA 0.135 4.469 4.340 -0.009 0.000 0.273 384 L C -0.028 176.532 176.870 -0.517 0.000 1.152 384 L CA 0.490 55.212 54.840 -0.198 0.000 0.855 384 L CB 0.324 42.297 42.059 -0.144 0.000 1.129 384 L HN 0.403 nan 8.230 nan 0.000 0.463 385 E N 4.800 124.580 120.200 -0.700 0.000 2.129 385 E HA 0.203 4.547 4.350 -0.009 0.000 0.283 385 E C -0.486 175.484 176.600 -1.050 0.000 1.080 385 E CA -0.231 55.281 56.400 -1.480 0.000 0.867 385 E CB 0.686 29.846 29.700 -0.900 0.000 1.056 385 E HN 0.364 nan 8.360 nan 0.000 0.404 386 R N 3.810 123.619 120.500 -1.152 0.000 2.407 386 R HA 0.205 4.540 4.340 -0.009 0.000 0.298 386 R C -1.187 174.979 176.300 -0.224 0.000 1.166 386 R CA -0.572 55.271 56.100 -0.428 0.000 1.006 386 R CB 0.862 31.039 30.300 -0.205 0.000 1.145 386 R HN 0.426 nan 8.270 nan 0.000 0.538 387 W N 4.630 125.892 121.300 -0.063 0.000 2.311 387 W HA 0.258 4.912 4.660 -0.010 0.000 0.310 387 W C -1.895 174.611 176.519 -0.022 0.000 1.274 387 W CA -2.156 55.210 57.345 0.035 0.000 1.215 387 W CB 0.770 30.222 29.460 -0.013 0.000 1.227 387 W HN 0.258 nan 8.180 nan 0.000 0.523 388 P HA -0.089 nan 4.420 nan 0.000 0.264 388 P C 0.779 178.044 177.300 -0.059 0.000 1.193 388 P CA 0.212 63.330 63.100 0.030 0.000 0.763 388 P CB 0.780 32.386 31.700 -0.157 0.000 0.810 389 V N 3.233 123.168 119.914 0.034 0.000 2.469 389 V HA -0.277 3.837 4.120 -0.009 0.000 0.251 389 V C 2.082 178.192 176.094 0.027 0.000 1.064 389 V CA 2.470 64.794 62.300 0.041 0.000 1.066 389 V CB -1.744 30.160 31.823 0.136 0.000 0.667 389 V HN 0.758 nan 8.190 nan 0.000 0.461 390 H N -1.384 117.740 119.070 0.090 0.000 2.491 390 H HA -0.066 4.484 4.556 -0.009 0.000 0.290 390 H C 2.036 177.405 175.328 0.068 0.000 1.050 390 H CA 1.490 57.585 56.048 0.078 0.000 1.309 390 H CB -0.399 29.410 29.762 0.079 0.000 1.392 390 H HN 0.369 nan 8.280 nan 0.000 0.554 391 L N -0.062 120.976 121.223 -0.309 0.000 2.068 391 L HA -0.040 4.294 4.340 -0.009 0.000 0.204 391 L C 2.331 179.123 176.870 -0.130 0.000 1.076 391 L CA 0.755 55.495 54.840 -0.166 0.000 0.753 391 L CB -0.180 41.769 42.059 -0.183 0.000 0.910 391 L HN 0.321 nan 8.230 nan 0.000 0.439 392 L N -0.422 120.707 121.223 -0.158 0.000 2.046 392 L HA -0.258 4.076 4.340 -0.009 0.000 0.208 392 L C 2.529 179.320 176.870 -0.132 0.000 1.077 392 L CA 1.291 56.016 54.840 -0.192 0.000 0.747 392 L CB -0.414 41.531 42.059 -0.191 0.000 0.896 392 L HN 0.351 nan 8.230 nan 0.000 0.432 393 E N -0.546 119.620 120.200 -0.057 0.000 2.085 393 E HA -0.232 4.112 4.350 -0.009 0.000 0.194 393 E C 1.884 178.507 176.600 0.038 0.000 0.994 393 E CA 1.929 58.332 56.400 0.004 0.000 0.801 393 E CB 0.136 29.880 29.700 0.074 0.000 0.743 393 E HN 0.425 nan 8.360 nan 0.000 0.453 394 T N 0.604 115.198 114.554 0.066 0.000 2.852 394 T HA -0.055 4.289 4.350 -0.009 0.000 0.256 394 T C 1.679 176.468 174.700 0.150 0.000 1.038 394 T CA 0.612 62.799 62.100 0.145 0.000 1.141 394 T CB -0.083 68.900 68.868 0.191 0.000 0.869 394 T HN 0.060 nan 8.240 nan 0.000 0.439 395 L N 0.230 121.440 121.223 -0.022 0.000 2.102 395 L HA 0.344 4.678 4.340 -0.009 0.000 0.202 395 L C 0.327 177.103 176.870 -0.156 0.000 1.076 395 L CA 1.610 56.310 54.840 -0.234 0.000 0.761 395 L CB -0.018 41.869 42.059 -0.287 0.000 0.921 395 L HN 0.166 nan 8.230 nan 0.000 0.444 396 L N 0.788 121.880 121.223 -0.219 0.000 2.556 396 L HA 0.302 4.636 4.340 -0.009 0.000 0.243 396 L C -1.654 175.023 176.870 -0.322 0.000 1.331 396 L CA -1.155 53.465 54.840 -0.366 0.000 0.927 396 L CB 0.840 42.495 42.059 -0.672 0.000 1.219 396 L HN -0.039 nan 8.230 nan 0.000 0.490 397 P HA -0.223 nan 4.420 nan 0.000 0.215 397 P C 1.518 178.629 177.300 -0.315 0.000 1.157 397 P CA 1.312 64.289 63.100 -0.206 0.000 0.874 397 P CB 0.335 31.989 31.700 -0.077 0.000 0.790 398 R N -0.618 119.524 120.500 -0.596 0.000 2.092 398 R HA -0.145 4.189 4.340 -0.009 0.000 0.231 398 R C 2.327 178.350 176.300 -0.462 0.000 1.119 398 R CA 1.459 57.229 56.100 -0.549 0.000 0.970 398 R CB -1.227 28.604 30.300 -0.781 0.000 0.864 398 R HN 0.223 nan 8.270 nan 0.000 0.440 399 H N -0.294 118.463 119.070 -0.520 0.000 2.421 399 H HA -0.053 4.497 4.556 -0.009 0.000 0.298 399 H C 1.724 176.881 175.328 -0.286 0.000 1.087 399 H CA 1.539 57.367 56.048 -0.366 0.000 1.330 399 H CB -0.019 29.495 29.762 -0.413 0.000 1.388 399 H HN 0.120 nan 8.280 nan 0.000 0.526 400 L N 0.336 121.437 121.223 -0.205 0.000 2.056 400 L HA -0.205 4.129 4.340 -0.009 0.000 0.207 400 L C 1.806 178.484 176.870 -0.320 0.000 1.078 400 L CA 1.501 56.149 54.840 -0.320 0.000 0.749 400 L CB -0.261 41.622 42.059 -0.293 0.000 0.901 400 L HN 0.406 nan 8.230 nan 0.000 0.433 401 Q N -0.270 119.450 119.800 -0.133 0.000 2.084 401 Q HA -0.234 4.100 4.340 -0.009 0.000 0.202 401 Q C 2.180 178.200 176.000 0.033 0.000 0.978 401 Q CA 1.650 57.464 55.803 0.019 0.000 0.844 401 Q CB -0.052 28.701 28.738 0.025 0.000 0.898 401 Q HN 0.536 nan 8.270 nan 0.000 0.426 402 I N 0.258 120.825 120.570 -0.004 0.000 2.315 402 I HA -0.264 3.900 4.170 -0.009 0.000 0.248 402 I C 2.050 178.241 176.117 0.124 0.000 1.117 402 I CA 0.965 62.344 61.300 0.133 0.000 1.404 402 I CB -0.052 37.962 38.000 0.022 0.000 1.071 402 I HN 0.208 nan 8.210 nan 0.000 0.419 403 I N -0.674 119.888 120.570 -0.013 0.000 2.315 403 I HA -0.301 3.864 4.170 -0.009 0.000 0.248 403 I C 2.304 178.436 176.117 0.026 0.000 1.117 403 I CA 1.265 62.547 61.300 -0.029 0.000 1.404 403 I CB -0.324 37.589 38.000 -0.145 0.000 1.071 403 I HN 0.158 nan 8.210 nan 0.000 0.419 404 Y N 0.919 121.224 120.300 0.008 0.000 2.181 404 Y HA -0.260 4.284 4.550 -0.009 0.000 0.288 404 Y C 2.596 178.461 175.900 -0.059 0.000 1.146 404 Y CA 1.534 59.625 58.100 -0.015 0.000 1.164 404 Y CB -0.745 37.699 38.460 -0.026 0.000 0.982 404 Y HN 0.216 nan 8.280 nan 0.000 0.515 405 E N 0.389 120.628 120.200 0.064 0.000 2.106 405 E HA -0.141 4.203 4.350 -0.009 0.000 0.192 405 E C 1.980 178.483 176.600 -0.163 0.000 0.984 405 E CA 1.288 57.585 56.400 -0.172 0.000 0.806 405 E CB -0.575 28.875 29.700 -0.415 0.000 0.750 405 E HN 0.490 nan 8.360 nan 0.000 0.458 406 I N 0.578 121.150 120.570 0.004 0.000 2.252 406 I HA -0.230 3.935 4.170 -0.009 0.000 0.245 406 I C 2.249 178.358 176.117 -0.013 0.000 1.102 406 I CA 1.218 62.478 61.300 -0.067 0.000 1.385 406 I CB -0.335 37.646 38.000 -0.032 0.000 1.064 406 I HN 0.212 nan 8.210 nan 0.000 0.414 407 N N 0.734 119.482 118.700 0.080 0.000 2.084 407 N HA -0.247 4.488 4.740 -0.009 0.000 0.190 407 N C 1.862 177.448 175.510 0.126 0.000 1.030 407 N CA 1.563 54.715 53.050 0.169 0.000 0.849 407 N CB -0.097 38.508 38.487 0.198 0.000 1.012 407 N HN 0.254 nan 8.380 nan 0.000 0.423 408 Q N -0.117 119.703 119.800 0.034 0.000 2.014 408 Q HA -0.152 4.182 4.340 -0.009 0.000 0.207 408 Q C 2.069 178.040 176.000 -0.049 0.000 0.993 408 Q CA 1.833 57.616 55.803 -0.033 0.000 0.850 408 Q CB -0.027 28.649 28.738 -0.103 0.000 0.916 408 Q HN 0.418 nan 8.270 nan 0.000 0.417 409 R N -0.799 119.645 120.500 -0.092 0.000 2.115 409 R HA -0.132 4.202 4.340 -0.009 0.000 0.230 409 R C 2.155 178.465 176.300 0.016 0.000 1.111 409 R CA 1.157 57.202 56.100 -0.092 0.000 0.976 409 R CB -0.387 29.799 30.300 -0.190 0.000 0.870 409 R HN 0.272 nan 8.270 nan 0.000 0.445 410 F N 1.660 121.567 119.950 -0.071 0.000 2.146 410 F HA -0.050 4.471 4.527 -0.009 0.000 0.298 410 F C 1.888 177.699 175.800 0.018 0.000 1.096 410 F CA 1.163 59.169 58.000 0.010 0.000 1.275 410 F CB -0.230 38.806 39.000 0.062 0.000 1.008 410 F HN -0.140 nan 8.300 nan 0.000 0.480 411 L N 0.096 121.276 121.223 -0.071 0.000 2.131 411 L HA -0.235 4.099 4.340 -0.009 0.000 0.210 411 L C 1.975 178.748 176.870 -0.163 0.000 1.092 411 L CA 1.592 56.329 54.840 -0.173 0.000 0.759 411 L CB -0.830 41.211 42.059 -0.031 0.000 0.903 411 L HN 0.244 nan 8.230 nan 0.000 0.435 412 N N -0.402 118.233 118.700 -0.109 0.000 2.244 412 N HA -0.169 4.565 4.740 -0.009 0.000 0.183 412 N C 1.925 177.372 175.510 -0.105 0.000 1.016 412 N CA 0.617 53.612 53.050 -0.091 0.000 0.866 412 N CB 0.017 38.460 38.487 -0.073 0.000 0.980 412 N HN 0.218 nan 8.380 nan 0.000 0.430 413 R N 0.527 120.947 120.500 -0.134 0.000 2.075 413 R HA -0.046 4.288 4.340 -0.009 0.000 0.232 413 R C 2.042 178.244 176.300 -0.164 0.000 1.126 413 R CA 0.837 56.862 56.100 -0.124 0.000 0.963 413 R CB -0.114 30.129 30.300 -0.095 0.000 0.858 413 R HN 0.050 nan 8.270 nan 0.000 0.435 414 V N 0.512 120.272 119.914 -0.256 0.000 2.307 414 V HA -0.217 3.897 4.120 -0.009 0.000 0.245 414 V C 2.357 178.448 176.094 -0.005 0.000 1.045 414 V CA 1.919 64.141 62.300 -0.130 0.000 1.024 414 V CB -0.742 30.914 31.823 -0.279 0.000 0.651 414 V HN 0.453 nan 8.190 nan 0.000 0.449 415 A N 0.258 123.043 122.820 -0.060 0.000 1.892 415 A HA -0.215 4.100 4.320 -0.009 0.000 0.218 415 A C 2.406 179.963 177.584 -0.044 0.000 1.188 415 A CA 2.427 54.446 52.037 -0.029 0.000 0.631 415 A CB -0.910 18.062 19.000 -0.048 0.000 0.822 415 A HN 0.612 nan 8.150 nan 0.000 0.447 416 A N -0.732 122.042 122.820 -0.077 0.000 2.019 416 A HA 0.217 4.531 4.320 -0.009 0.000 0.219 416 A C 2.364 179.853 177.584 -0.159 0.000 1.164 416 A CA 1.985 53.965 52.037 -0.096 0.000 0.644 416 A CB -0.680 18.269 19.000 -0.085 0.000 0.805 416 A HN 1.042 nan 8.150 nan 0.000 0.449 417 A N -1.601 121.077 122.820 -0.235 0.000 1.943 417 A HA 0.408 4.722 4.320 -0.009 0.000 0.213 417 A C 0.452 177.553 177.584 -0.806 0.000 1.181 417 A CA 0.434 52.146 52.037 -0.542 0.000 0.653 417 A CB -0.069 18.524 19.000 -0.677 0.000 0.833 417 A HN 0.416 nan 8.150 nan 0.000 0.451 418 F N 0.302 120.201 119.950 -0.086 0.000 2.531 418 F HA 0.355 4.876 4.527 -0.010 0.000 0.333 418 F C -2.749 173.010 175.800 -0.068 0.000 1.292 418 F CA -2.876 55.078 58.000 -0.075 0.000 1.184 418 F CB 0.749 39.696 39.000 -0.089 0.000 1.426 418 F HN -0.066 nan 8.300 nan 0.000 0.559 419 P HA 0.145 nan 4.420 nan 0.000 0.260 419 P C 1.029 178.346 177.300 0.028 0.000 1.185 419 P CA 1.134 64.242 63.100 0.013 0.000 0.763 419 P CB 0.733 32.423 31.700 -0.018 0.000 0.776 420 G N 2.940 111.749 108.800 0.016 0.000 2.225 420 G HA2 -0.252 3.703 3.960 -0.009 0.000 0.254 420 G HA3 -0.252 3.703 3.960 -0.009 0.000 0.254 420 G C 0.397 175.304 174.900 0.011 0.000 0.988 420 G CA -0.021 45.085 45.100 0.010 0.000 0.625 420 G HN 0.578 nan 8.290 nan 0.000 0.527 421 D N 1.117 121.533 120.400 0.028 0.000 2.545 421 D HA 0.361 4.996 4.640 -0.009 0.000 0.227 421 D C 1.593 177.879 176.300 -0.023 0.000 1.150 421 D CA 0.476 54.476 54.000 0.001 0.000 1.046 421 D CB 0.572 41.370 40.800 -0.002 0.000 1.098 421 D HN 0.147 nan 8.370 nan 0.000 0.502 422 V N 2.756 122.658 119.914 -0.020 0.000 2.626 422 V HA -0.193 3.921 4.120 -0.009 0.000 0.252 422 V C 1.650 177.727 176.094 -0.028 0.000 1.067 422 V CA 1.753 64.040 62.300 -0.022 0.000 1.081 422 V CB 0.058 31.873 31.823 -0.015 0.000 0.686 422 V HN 0.358 nan 8.190 nan 0.000 0.468 423 D N -0.346 120.033 120.400 -0.035 0.000 2.162 423 D HA -0.154 4.480 4.640 -0.009 0.000 0.203 423 D C 2.318 178.585 176.300 -0.054 0.000 0.967 423 D CA 1.072 55.052 54.000 -0.034 0.000 0.840 423 D CB -0.184 40.597 40.800 -0.032 0.000 0.972 423 D HN 0.400 nan 8.370 nan 0.000 0.482 424 R N -0.246 120.196 120.500 -0.096 0.000 2.120 424 R HA -0.123 4.212 4.340 -0.009 0.000 0.234 424 R C 1.783 178.001 176.300 -0.138 0.000 1.123 424 R CA 0.820 56.824 56.100 -0.161 0.000 0.975 424 R CB -0.251 29.888 30.300 -0.268 0.000 0.866 424 R HN 0.160 nan 8.270 nan 0.000 0.446 425 L N 1.408 122.576 121.223 -0.091 0.000 2.017 425 L HA -0.157 4.178 4.340 -0.009 0.000 0.208 425 L C 2.540 179.398 176.870 -0.019 0.000 1.073 425 L CA 2.076 56.877 54.840 -0.066 0.000 0.745 425 L CB -0.650 41.383 42.059 -0.043 0.000 0.894 425 L HN 0.302 nan 8.230 nan 0.000 0.432 426 R N -1.337 119.163 120.500 -0.000 0.000 2.115 426 R HA -0.048 4.286 4.340 -0.009 0.000 0.226 426 R C 2.200 178.547 176.300 0.077 0.000 1.100 426 R CA 0.951 57.076 56.100 0.041 0.000 0.980 426 R CB -0.625 29.695 30.300 0.033 0.000 0.875 426 R HN 0.141 nan 8.270 nan 0.000 0.445 427 R N 0.266 120.794 120.500 0.047 0.000 2.092 427 R HA 0.084 4.418 4.340 -0.009 0.000 0.231 427 R C 2.041 178.431 176.300 0.151 0.000 1.119 427 R CA 1.857 58.012 56.100 0.092 0.000 0.970 427 R CB -0.170 30.144 30.300 0.024 0.000 0.864 427 R HN 0.323 nan 8.270 nan 0.000 0.440 428 M N 0.011 119.614 119.600 0.004 0.000 2.541 428 M HA 0.025 4.500 4.480 -0.009 0.000 0.252 428 M C 0.865 177.308 176.300 0.239 0.000 1.125 428 M CA 0.038 55.284 55.300 -0.091 0.000 1.091 428 M CB 0.389 32.758 32.600 -0.384 0.000 1.420 428 M HN -0.077 nan 8.290 nan 0.000 0.486 429 S N 0.977 116.833 115.700 0.260 0.000 2.558 429 S HA 0.021 4.486 4.470 -0.009 0.000 0.287 429 S C 1.146 176.019 174.600 0.455 0.000 1.321 429 S CA -0.136 58.251 58.200 0.312 0.000 1.048 429 S CB 0.535 63.860 63.200 0.208 0.000 0.844 429 S HN 0.349 nan 8.310 nan 0.000 0.512 430 L N 3.949 125.392 121.223 0.366 0.000 2.341 430 L HA 0.124 4.459 4.340 -0.009 0.000 0.214 430 L C 0.272 177.262 176.870 0.200 0.000 1.115 430 L CA 0.315 55.333 54.840 0.297 0.000 0.820 430 L CB -0.344 41.832 42.059 0.194 0.000 0.944 430 L HN 0.390 nan 8.230 nan 0.000 0.452 431 V N 0.803 120.845 119.914 0.213 0.000 2.383 431 V HA 0.175 4.290 4.120 -0.009 0.000 0.275 431 V C 0.064 176.250 176.094 0.155 0.000 1.036 431 V CA -0.548 61.864 62.300 0.186 0.000 0.889 431 V CB 1.489 33.457 31.823 0.243 0.000 0.985 431 V HN 0.170 nan 8.190 nan 0.000 0.459 432 E N 3.130 123.401 120.200 0.118 0.000 2.134 432 E HA 0.407 4.751 4.350 -0.009 0.000 0.278 432 E C -0.718 175.937 176.600 0.091 0.000 0.959 432 E CA -0.533 55.925 56.400 0.097 0.000 0.783 432 E CB 1.856 31.593 29.700 0.063 0.000 1.095 432 E HN 0.623 nan 8.360 nan 0.000 0.399 433 E N 1.031 121.279 120.200 0.081 0.000 2.283 433 E HA 0.649 4.993 4.350 -0.009 0.000 0.267 433 E C 0.120 176.755 176.600 0.059 0.000 1.045 433 E CA 0.273 56.714 56.400 0.069 0.000 0.884 433 E CB 1.568 31.302 29.700 0.057 0.000 1.106 433 E HN 0.643 nan 8.360 nan 0.000 0.408 434 G N 0.266 109.099 108.800 0.055 0.000 2.334 434 G HA2 0.241 4.195 3.960 -0.009 0.000 0.249 434 G HA3 0.241 4.195 3.960 -0.009 0.000 0.249 434 G C 0.519 175.449 174.900 0.050 0.000 1.327 434 G CA 0.304 45.432 45.100 0.048 0.000 0.979 434 G HN 0.638 nan 8.290 nan 0.000 0.471 435 A N -0.806 122.042 122.820 0.046 0.000 1.870 435 A HA 0.243 4.558 4.320 -0.009 0.000 0.219 435 A C 1.806 179.426 177.584 0.060 0.000 1.286 435 A CA 4.504 56.569 52.037 0.046 0.000 0.682 435 A CB -1.284 17.743 19.000 0.044 0.000 0.844 435 A HN 2.405 nan 8.150 nan 0.000 0.460 436 V N -2.786 117.176 119.914 0.081 0.000 2.680 436 V HA 0.576 4.691 4.120 -0.009 0.000 0.309 436 V C -0.595 175.572 176.094 0.122 0.000 1.052 436 V CA -1.338 61.032 62.300 0.117 0.000 0.908 436 V CB 1.731 33.655 31.823 0.168 0.000 1.001 436 V HN 0.400 nan 8.190 nan 0.000 0.431 437 K N 4.165 124.648 120.400 0.138 0.000 2.350 437 K HA 0.494 4.808 4.320 -0.009 0.000 0.279 437 K C -0.422 176.259 176.600 0.135 0.000 1.027 437 K CA -0.203 56.163 56.287 0.133 0.000 0.969 437 K CB 1.007 33.598 32.500 0.151 0.000 0.954 437 K HN 0.717 nan 8.250 nan 0.000 0.474 438 R N 1.425 121.991 120.500 0.110 0.000 2.867 438 R HA 0.499 4.833 4.340 -0.009 0.000 0.268 438 R C -0.615 175.732 176.300 0.079 0.000 1.014 438 R CA -0.997 55.158 56.100 0.093 0.000 0.946 438 R CB 1.351 31.688 30.300 0.063 0.000 1.208 438 R HN 0.384 nan 8.270 nan 0.000 0.477 439 I N 1.829 122.440 120.570 0.069 0.000 2.378 439 I HA 0.177 4.341 4.170 -0.009 0.000 0.291 439 I C -0.314 175.797 176.117 -0.010 0.000 0.992 439 I CA -0.750 60.576 61.300 0.044 0.000 1.154 439 I CB 1.395 39.416 38.000 0.034 0.000 1.315 439 I HN 0.501 nan 8.210 nan 0.000 0.448 440 N N 6.977 125.643 118.700 -0.056 0.000 2.439 440 N HA 0.087 4.821 4.740 -0.009 0.000 0.243 440 N C 0.878 176.291 175.510 -0.161 0.000 1.088 440 N CA -0.361 52.574 53.050 -0.190 0.000 0.940 440 N CB 0.897 39.141 38.487 -0.405 0.000 1.180 440 N HN 0.373 nan 8.380 nan 0.000 0.505 441 M N 2.319 121.825 119.600 -0.156 0.000 2.202 441 M HA -0.110 4.364 4.480 -0.009 0.000 0.262 441 M C 1.937 178.095 176.300 -0.238 0.000 1.063 441 M CA 0.921 56.141 55.300 -0.134 0.000 1.097 441 M CB -1.582 30.970 32.600 -0.080 0.000 1.382 441 M HN 0.606 nan 8.290 nan 0.000 0.413 442 A N -0.926 121.739 122.820 -0.258 0.000 1.930 442 A HA -0.162 4.152 4.320 -0.009 0.000 0.217 442 A C 1.999 179.354 177.584 -0.381 0.000 1.175 442 A CA 1.395 53.228 52.037 -0.341 0.000 0.627 442 A CB -1.098 17.880 19.000 -0.035 0.000 0.815 442 A HN 0.609 nan 8.150 nan 0.000 0.443 443 H N -1.067 117.798 119.070 -0.342 0.000 2.423 443 H HA -0.015 4.535 4.556 -0.010 0.000 0.297 443 H C 2.083 177.210 175.328 -0.336 0.000 1.075 443 H CA 0.885 56.700 56.048 -0.388 0.000 1.342 443 H CB -0.014 29.738 29.762 -0.017 0.000 1.395 443 H HN 0.361 nan 8.280 nan 0.000 0.530 444 L N 0.250 121.399 121.223 -0.123 0.000 2.046 444 L HA -0.216 4.118 4.340 -0.009 0.000 0.208 444 L C 2.187 178.933 176.870 -0.207 0.000 1.077 444 L CA 1.239 56.006 54.840 -0.121 0.000 0.747 444 L CB -0.351 41.659 42.059 -0.083 0.000 0.896 444 L HN 0.447 nan 8.230 nan 0.000 0.432 445 C N -0.130 118.942 119.300 -0.380 0.000 2.440 445 C HA -0.129 4.325 4.460 -0.009 0.000 0.278 445 C C 2.659 177.412 174.990 -0.394 0.000 1.295 445 C CA 0.386 59.111 59.018 -0.488 0.000 1.738 445 C CB -0.671 26.429 27.740 -1.067 0.000 1.987 445 C HN 0.494 nan 8.230 nan 0.000 0.492 446 I N 1.301 121.599 120.570 -0.454 0.000 2.252 446 I HA -0.165 3.999 4.170 -0.009 0.000 0.245 446 I C 2.720 178.700 176.117 -0.229 0.000 1.102 446 I CA 1.558 62.633 61.300 -0.376 0.000 1.385 446 I CB -0.468 37.185 38.000 -0.580 0.000 1.064 446 I HN 0.252 nan 8.210 nan 0.000 0.414 447 A N 0.472 123.137 122.820 -0.259 0.000 1.930 447 A HA -0.063 4.252 4.320 -0.009 0.000 0.217 447 A C 2.195 179.830 177.584 0.085 0.000 1.175 447 A CA 1.778 53.699 52.037 -0.193 0.000 0.627 447 A CB -1.081 17.639 19.000 -0.467 0.000 0.815 447 A HN 0.462 nan 8.150 nan 0.000 0.443 448 G N -1.130 107.662 108.800 -0.013 0.000 3.371 448 G HA2 0.425 4.379 3.960 -0.009 0.000 0.248 448 G HA3 0.425 4.379 3.960 -0.009 0.000 0.248 448 G C 0.050 174.789 174.900 -0.268 0.000 1.161 448 G CA 0.421 45.383 45.100 -0.231 0.000 0.796 448 G HN 0.324 nan 8.290 nan 0.000 0.539 449 S N -0.332 115.269 115.700 -0.166 0.000 2.536 449 S HA 0.322 4.787 4.470 -0.009 0.000 0.298 449 S C 0.641 175.193 174.600 -0.080 0.000 1.083 449 S CA -0.721 57.406 58.200 -0.123 0.000 0.995 449 S CB 1.223 64.352 63.200 -0.118 0.000 1.058 449 S HN 0.509 nan 8.310 nan 0.000 0.488 450 H N -0.074 118.959 119.070 -0.062 0.000 2.539 450 H HA 0.555 5.105 4.556 -0.010 0.000 0.267 450 H C 0.041 175.356 175.328 -0.022 0.000 0.982 450 H CA 0.145 56.184 56.048 -0.015 0.000 1.146 450 H CB 0.129 29.896 29.762 0.008 0.000 1.382 450 H HN 0.505 nan 8.280 nan 0.000 0.577 451 A N 0.716 123.262 122.820 -0.457 0.000 2.547 451 A HA 0.552 4.866 4.320 -0.009 0.000 0.297 451 A C -1.555 175.817 177.584 -0.353 0.000 1.056 451 A CA -0.556 51.245 52.037 -0.394 0.000 0.688 451 A CB 2.108 20.833 19.000 -0.458 0.000 1.282 451 A HN 0.097 nan 8.150 nan 0.000 0.400 452 V N 4.018 123.683 119.914 -0.416 0.000 2.569 452 V HA 0.523 4.637 4.120 -0.009 0.000 0.301 452 V C -0.790 175.084 176.094 -0.366 0.000 1.044 452 V CA -0.755 61.280 62.300 -0.442 0.000 0.874 452 V CB 1.845 33.239 31.823 -0.714 0.000 1.002 452 V HN 1.037 nan 8.190 nan 0.000 0.424 453 N N 3.058 121.561 118.700 -0.329 0.000 2.265 453 N HA 0.643 5.377 4.740 -0.009 0.000 0.300 453 N C -0.247 175.138 175.510 -0.208 0.000 1.148 453 N CA -0.376 52.531 53.050 -0.238 0.000 0.772 453 N CB 2.945 41.275 38.487 -0.263 0.000 1.434 453 N HN 0.636 nan 8.380 nan 0.000 0.481 454 G N -0.895 107.822 108.800 -0.139 0.000 2.511 454 G HA2 0.420 4.374 3.960 -0.009 0.000 0.316 454 G HA3 0.420 4.374 3.960 -0.009 0.000 0.316 454 G C 0.779 175.732 174.900 0.089 0.000 1.210 454 G CA -0.513 44.545 45.100 -0.070 0.000 0.969 454 G HN 0.609 nan 8.290 nan 0.000 0.492 455 V N -3.633 116.463 119.914 0.303 0.000 3.483 455 V HA 0.689 4.803 4.120 -0.009 0.000 0.301 455 V C 0.605 176.797 176.094 0.163 0.000 1.389 455 V CA 0.433 62.840 62.300 0.178 0.000 1.101 455 V CB -0.783 31.117 31.823 0.128 0.000 0.971 455 V HN 1.313 nan 8.190 nan 0.000 0.434 456 A N -0.174 122.748 122.820 0.170 0.000 2.605 456 A HA 0.639 4.953 4.320 -0.009 0.000 0.294 456 A C 0.684 178.323 177.584 0.091 0.000 1.062 456 A CA -0.138 51.974 52.037 0.125 0.000 0.682 456 A CB 1.201 20.266 19.000 0.108 0.000 1.278 456 A HN 0.011 nan 8.150 nan 0.000 0.410 457 R N 0.676 121.210 120.500 0.056 0.000 2.094 457 R HA -0.163 4.172 4.340 -0.009 0.000 0.239 457 R C 1.745 178.047 176.300 0.003 0.000 1.137 457 R CA 2.292 58.402 56.100 0.016 0.000 0.943 457 R CB -0.228 30.076 30.300 0.007 0.000 0.850 457 R HN 0.832 nan 8.270 nan 0.000 0.433 458 I N 0.255 120.836 120.570 0.018 0.000 2.315 458 I HA -0.273 3.891 4.170 -0.009 0.000 0.248 458 I C 2.297 178.428 176.117 0.024 0.000 1.117 458 I CA 1.857 63.160 61.300 0.004 0.000 1.404 458 I CB -0.265 37.735 38.000 0.000 0.000 1.071 458 I HN 0.336 nan 8.210 nan 0.000 0.419 459 H N 0.402 119.448 119.070 -0.040 0.000 2.357 459 H HA -0.107 4.443 4.556 -0.010 0.000 0.301 459 H C 2.219 177.519 175.328 -0.048 0.000 1.082 459 H CA 2.149 58.169 56.048 -0.046 0.000 1.342 459 H CB -0.293 29.448 29.762 -0.034 0.000 1.389 459 H HN 0.246 nan 8.280 nan 0.000 0.511 460 S N 0.043 115.620 115.700 -0.204 0.000 2.402 460 S HA -0.105 4.359 4.470 -0.009 0.000 0.229 460 S C 1.880 176.362 174.600 -0.197 0.000 1.021 460 S CA 1.116 59.170 58.200 -0.244 0.000 0.974 460 S CB -0.056 63.074 63.200 -0.117 0.000 0.800 460 S HN 0.469 nan 8.310 nan 0.000 0.484 461 E N 1.043 121.152 120.200 -0.151 0.000 2.107 461 E HA 0.040 4.384 4.350 -0.009 0.000 0.191 461 E C 1.977 178.470 176.600 -0.178 0.000 0.982 461 E CA 0.550 56.853 56.400 -0.162 0.000 0.809 461 E CB -0.336 29.299 29.700 -0.109 0.000 0.756 461 E HN 0.483 nan 8.360 nan 0.000 0.459 462 I N 0.928 121.410 120.570 -0.147 0.000 2.286 462 I HA -0.269 3.896 4.170 -0.009 0.000 0.248 462 I C 2.312 178.317 176.117 -0.187 0.000 1.115 462 I CA 0.723 61.943 61.300 -0.134 0.000 1.392 462 I CB -0.104 37.853 38.000 -0.071 0.000 1.065 462 I HN 0.068 nan 8.210 nan 0.000 0.418 463 L N 0.163 121.243 121.223 -0.238 0.000 2.046 463 L HA -0.241 4.093 4.340 -0.009 0.000 0.208 463 L C 2.448 179.215 176.870 -0.172 0.000 1.077 463 L CA 1.574 56.290 54.840 -0.207 0.000 0.747 463 L CB -0.581 41.429 42.059 -0.081 0.000 0.896 463 L HN 0.226 nan 8.230 nan 0.000 0.432 464 K N -0.126 120.096 120.400 -0.297 0.000 2.167 464 K HA -0.108 4.207 4.320 -0.009 0.000 0.203 464 K C 2.088 178.490 176.600 -0.331 0.000 1.052 464 K CA 0.887 56.855 56.287 -0.532 0.000 0.956 464 K CB 0.091 32.030 32.500 -0.935 0.000 0.735 464 K HN 0.235 nan 8.250 nan 0.000 0.451 465 K N -0.199 120.063 120.400 -0.230 0.000 2.186 465 K HA 0.015 4.329 4.320 -0.009 0.000 0.202 465 K C 1.323 177.868 176.600 -0.092 0.000 1.052 465 K CA 1.014 57.220 56.287 -0.135 0.000 0.965 465 K CB 0.421 32.852 32.500 -0.115 0.000 0.746 465 K HN 0.065 nan 8.250 nan 0.000 0.457 466 T N 0.420 114.908 114.554 -0.111 0.000 2.709 466 T HA 0.059 4.404 4.350 -0.009 0.000 0.174 466 T C 1.485 176.125 174.700 -0.101 0.000 0.774 466 T CA -0.390 61.655 62.100 -0.092 0.000 1.309 466 T CB -0.462 68.346 68.868 -0.101 0.000 2.586 466 T HN -0.079 nan 8.240 nan 0.000 0.401 467 I N 1.022 121.468 120.570 -0.206 0.000 2.147 467 I HA -0.209 3.955 4.170 -0.009 0.000 0.245 467 I C 0.637 176.624 176.117 -0.216 0.000 1.059 467 I CA 1.919 63.013 61.300 -0.344 0.000 1.320 467 I CB -0.155 37.419 38.000 -0.711 0.000 1.021 467 I HN 0.312 nan 8.210 nan 0.000 0.415 468 F N 0.107 120.115 119.950 0.098 0.000 2.791 468 F HA 0.282 4.803 4.527 -0.010 0.000 0.308 468 F C 1.661 177.536 175.800 0.125 0.000 1.138 468 F CA -0.628 57.493 58.000 0.202 0.000 1.294 468 F CB -0.910 38.217 39.000 0.212 0.000 0.975 468 F HN -0.065 nan 8.300 nan 0.000 0.512 469 K N 0.782 121.287 120.400 0.176 0.000 2.020 469 K HA -0.213 4.101 4.320 -0.009 0.000 0.212 469 K C 1.264 177.920 176.600 0.093 0.000 1.050 469 K CA 2.208 58.547 56.287 0.086 0.000 0.929 469 K CB 0.006 32.523 32.500 0.029 0.000 0.714 469 K HN 0.142 nan 8.250 nan 0.000 0.443 470 D N -0.158 120.275 120.400 0.054 0.000 2.123 470 D HA -0.166 4.469 4.640 -0.009 0.000 0.196 470 D C 1.829 178.044 176.300 -0.141 0.000 0.992 470 D CA 1.234 55.141 54.000 -0.154 0.000 0.833 470 D CB -0.332 40.281 40.800 -0.312 0.000 0.954 470 D HN 0.232 nan 8.370 nan 0.000 0.455 471 F N -0.214 119.797 119.950 0.101 0.000 2.259 471 F HA -0.123 4.399 4.527 -0.009 0.000 0.298 471 F C 2.304 178.208 175.800 0.173 0.000 1.088 471 F CA 0.422 58.554 58.000 0.220 0.000 1.358 471 F CB -0.645 38.560 39.000 0.342 0.000 1.040 471 F HN -0.030 nan 8.300 nan 0.000 0.505 472 Y N 1.329 121.566 120.300 -0.104 0.000 2.200 472 Y HA -0.170 4.374 4.550 -0.009 0.000 0.290 472 Y C 2.126 177.993 175.900 -0.055 0.000 1.137 472 Y CA 1.579 59.436 58.100 -0.406 0.000 1.163 472 Y CB -0.624 37.457 38.460 -0.631 0.000 0.988 472 Y HN 0.120 nan 8.280 nan 0.000 0.518 473 E N -0.035 120.097 120.200 -0.113 0.000 2.110 473 E HA -0.201 4.144 4.350 -0.009 0.000 0.193 473 E C 2.268 178.915 176.600 0.077 0.000 0.988 473 E CA 1.040 57.389 56.400 -0.085 0.000 0.804 473 E CB -0.226 29.471 29.700 -0.005 0.000 0.745 473 E HN 0.448 nan 8.360 nan 0.000 0.458 474 L N 0.807 122.120 121.223 0.150 0.000 2.005 474 L HA -0.100 4.234 4.340 -0.009 0.000 0.207 474 L C 0.172 177.132 176.870 0.149 0.000 1.072 474 L CA 1.514 56.491 54.840 0.229 0.000 0.744 474 L CB 0.088 42.284 42.059 0.229 0.000 0.895 474 L HN 0.078 nan 8.230 nan 0.000 0.433 475 E N -0.027 120.249 120.200 0.127 0.000 2.914 475 E HA 0.171 4.515 4.350 -0.009 0.000 0.246 475 E C -1.985 174.548 176.600 -0.111 0.000 1.146 475 E CA -1.458 54.926 56.400 -0.026 0.000 0.803 475 E CB 0.984 30.634 29.700 -0.084 0.000 1.409 475 E HN 0.187 nan 8.360 nan 0.000 0.392 476 P HA -0.249 nan 4.420 nan 0.000 0.219 476 P C 1.147 178.535 177.300 0.147 0.000 1.146 476 P CA 1.381 64.371 63.100 -0.182 0.000 0.808 476 P CB -0.071 31.418 31.700 -0.353 0.000 0.779 477 H N -0.031 119.142 119.070 0.171 0.000 2.491 477 H HA 0.087 4.638 4.556 -0.010 0.000 0.290 477 H C 1.553 176.976 175.328 0.158 0.000 1.050 477 H CA 0.749 56.889 56.048 0.153 0.000 1.309 477 H CB -0.592 29.232 29.762 0.102 0.000 1.392 477 H HN 0.141 nan 8.280 nan 0.000 0.554 478 K N 0.374 120.681 120.400 -0.156 0.000 2.103 478 K HA 0.005 4.320 4.320 -0.009 0.000 0.204 478 K C -0.081 176.384 176.600 -0.225 0.000 1.052 478 K CA 0.383 56.564 56.287 -0.177 0.000 0.945 478 K CB 0.015 32.296 32.500 -0.365 0.000 0.722 478 K HN 0.076 nan 8.250 nan 0.000 0.443 479 F N 2.112 122.087 119.950 0.042 0.000 2.472 479 F HA 0.115 4.636 4.527 -0.010 0.000 0.364 479 F C 0.572 176.371 175.800 -0.002 0.000 1.090 479 F CA 0.132 58.155 58.000 0.038 0.000 1.188 479 F CB 0.552 39.625 39.000 0.122 0.000 1.105 479 F HN -0.027 nan 8.300 nan 0.000 0.536 480 Q N 1.784 121.592 119.800 0.013 0.000 2.668 480 Q HA 0.426 4.760 4.340 -0.009 0.000 0.298 480 Q C -1.051 174.896 176.000 -0.088 0.000 1.071 480 Q CA -1.294 54.480 55.803 -0.049 0.000 0.789 480 Q CB 3.044 31.701 28.738 -0.135 0.000 1.497 480 Q HN 0.656 nan 8.270 nan 0.000 0.460 481 N N 0.228 118.859 118.700 -0.115 0.000 2.229 481 N HA 0.309 5.043 4.740 -0.009 0.000 0.298 481 N C -1.603 173.805 175.510 -0.170 0.000 1.114 481 N CA -0.429 52.554 53.050 -0.112 0.000 0.776 481 N CB 1.299 39.747 38.487 -0.065 0.000 1.501 481 N HN 0.276 nan 8.380 nan 0.000 0.474 482 K N 2.478 122.793 120.400 -0.142 0.000 2.790 482 K HA 0.167 4.481 4.320 -0.009 0.000 0.253 482 K C -1.156 175.472 176.600 0.047 0.000 1.082 482 K CA -0.467 55.722 56.287 -0.163 0.000 1.067 482 K CB 1.182 33.380 32.500 -0.504 0.000 1.284 482 K HN 0.568 nan 8.250 nan 0.000 0.529 483 T N 2.087 116.682 114.554 0.068 0.000 2.902 483 T HA 0.059 4.403 4.350 -0.009 0.000 0.301 483 T C 0.825 175.666 174.700 0.236 0.000 1.012 483 T CA 0.365 62.554 62.100 0.149 0.000 1.151 483 T CB 0.244 69.198 68.868 0.143 0.000 0.946 483 T HN 0.344 nan 8.240 nan 0.000 0.542 484 N N 0.644 119.502 118.700 0.263 0.000 2.231 484 N HA 0.418 5.152 4.740 -0.009 0.000 0.223 484 N C 0.497 176.197 175.510 0.318 0.000 1.329 484 N CA -0.176 53.055 53.050 0.303 0.000 0.889 484 N CB 0.367 38.971 38.487 0.196 0.000 1.125 484 N HN 0.772 nan 8.380 nan 0.000 0.447 485 G N -0.814 108.173 108.800 0.312 0.000 2.608 485 G HA2 0.566 4.520 3.960 -0.009 0.000 0.291 485 G HA3 0.566 4.520 3.960 -0.009 0.000 0.291 485 G C -1.427 173.610 174.900 0.228 0.000 1.425 485 G CA -0.776 44.499 45.100 0.292 0.000 0.787 485 G HN 0.584 nan 8.290 nan 0.000 0.484 486 I N -2.209 118.482 120.570 0.202 0.000 2.846 486 I HA 0.787 4.952 4.170 -0.009 0.000 0.307 486 I C -0.003 176.273 176.117 0.266 0.000 1.053 486 I CA -1.031 60.385 61.300 0.192 0.000 1.050 486 I CB 2.453 40.472 38.000 0.033 0.000 1.239 486 I HN 0.464 nan 8.210 nan 0.000 0.439 487 T N 3.611 118.377 114.554 0.354 0.000 2.761 487 T HA 0.370 4.715 4.350 -0.009 0.000 0.296 487 T C -1.451 173.359 174.700 0.184 0.000 0.934 487 T CA -1.701 60.526 62.100 0.212 0.000 1.091 487 T CB 0.738 69.675 68.868 0.116 0.000 0.896 487 T HN 0.619 nan 8.240 nan 0.000 0.515 488 P HA 0.034 nan 4.420 nan 0.000 0.230 488 P C 1.098 178.364 177.300 -0.056 0.000 1.158 488 P CA 0.368 63.503 63.100 0.059 0.000 0.769 488 P CB 0.360 32.083 31.700 0.039 0.000 0.807 489 R N 0.353 120.770 120.500 -0.138 0.000 2.056 489 R HA 0.028 4.362 4.340 -0.009 0.000 0.227 489 R C 2.714 178.886 176.300 -0.215 0.000 1.149 489 R CA 1.488 57.459 56.100 -0.215 0.000 0.937 489 R CB -1.065 29.106 30.300 -0.215 0.000 0.835 489 R HN 0.034 nan 8.270 nan 0.000 0.430 490 R N -0.762 119.546 120.500 -0.319 0.000 2.075 490 R HA -0.105 4.229 4.340 -0.009 0.000 0.232 490 R C 1.051 176.968 176.300 -0.638 0.000 1.126 490 R CA 1.496 57.254 56.100 -0.571 0.000 0.963 490 R CB -0.167 29.612 30.300 -0.869 0.000 0.858 490 R HN 0.295 nan 8.270 nan 0.000 0.435 491 W N 0.142 121.396 121.300 -0.077 0.000 3.405 491 W HA 0.126 4.779 4.660 -0.010 0.000 0.300 491 W C 0.919 177.403 176.519 -0.058 0.000 1.286 491 W CA -0.693 56.605 57.345 -0.078 0.000 1.762 491 W CB 0.370 29.788 29.460 -0.069 0.000 1.087 491 W HN 0.239 nan 8.180 nan 0.000 0.703 492 L N -2.469 118.799 121.223 0.076 0.000 2.884 492 L HA 0.170 4.505 4.340 -0.009 0.000 0.155 492 L C 1.756 178.637 176.870 0.019 0.000 1.296 492 L CA 0.646 55.530 54.840 0.073 0.000 0.946 492 L CB -0.886 41.241 42.059 0.113 0.000 1.862 492 L HN -0.277 nan 8.230 nan 0.000 0.529 493 V N 1.421 121.328 119.914 -0.012 0.000 2.324 493 V HA -0.292 3.823 4.120 -0.009 0.000 0.250 493 V C 2.457 178.521 176.094 -0.051 0.000 1.060 493 V CA 2.592 64.874 62.300 -0.030 0.000 1.042 493 V CB -0.703 31.070 31.823 -0.083 0.000 0.650 493 V HN 0.530 nan 8.190 nan 0.000 0.450 494 L N 0.371 121.533 121.223 -0.101 0.000 2.023 494 L HA -0.161 4.173 4.340 -0.009 0.000 0.205 494 L C 2.501 179.306 176.870 -0.108 0.000 1.073 494 L CA 2.267 57.032 54.840 -0.124 0.000 0.745 494 L CB -0.253 41.679 42.059 -0.210 0.000 0.900 494 L HN 0.642 nan 8.230 nan 0.000 0.435 495 C N -1.604 117.626 119.300 -0.117 0.000 2.514 495 C HA 0.188 4.642 4.460 -0.009 0.000 0.271 495 C C 1.181 176.154 174.990 -0.029 0.000 1.399 495 C CA -0.246 58.725 59.018 -0.077 0.000 1.765 495 C CB -1.087 26.613 27.740 -0.067 0.000 1.893 495 C HN 0.600 nan 8.230 nan 0.000 0.531 496 N N 1.067 119.760 118.700 -0.013 0.000 2.703 496 N HA 0.285 5.019 4.740 -0.009 0.000 0.283 496 N C -1.794 173.724 175.510 0.014 0.000 1.851 496 N CA -1.606 51.447 53.050 0.005 0.000 0.826 496 N CB 0.736 39.233 38.487 0.017 0.000 1.239 496 N HN 0.216 nan 8.380 nan 0.000 0.495 497 P HA -0.045 nan 4.420 nan 0.000 0.218 497 P C 1.406 178.720 177.300 0.022 0.000 1.149 497 P CA 0.944 64.054 63.100 0.016 0.000 0.817 497 P CB 0.203 31.907 31.700 0.006 0.000 0.785 498 G N 0.538 109.346 108.800 0.013 0.000 2.440 498 G HA2 -0.244 3.710 3.960 -0.009 0.000 0.218 498 G HA3 -0.244 3.710 3.960 -0.009 0.000 0.218 498 G C 1.510 176.413 174.900 0.005 0.000 1.154 498 G CA 0.680 45.784 45.100 0.007 0.000 0.767 498 G HN 0.271 nan 8.290 nan 0.000 0.552 499 L N 0.999 122.227 121.223 0.007 0.000 2.179 499 L HA 0.360 4.694 4.340 -0.009 0.000 0.208 499 L C 2.985 179.878 176.870 0.038 0.000 1.096 499 L CA 1.801 56.641 54.840 0.001 0.000 0.779 499 L CB -0.515 41.544 42.059 0.000 0.000 0.922 499 L HN 0.205 nan 8.230 nan 0.000 0.443 500 A N -0.642 122.223 122.820 0.075 0.000 1.933 500 A HA -0.222 4.093 4.320 -0.009 0.000 0.218 500 A C 2.223 179.899 177.584 0.153 0.000 1.175 500 A CA 1.652 53.785 52.037 0.159 0.000 0.628 500 A CB -0.614 18.475 19.000 0.148 0.000 0.814 500 A HN 0.521 nan 8.150 nan 0.000 0.444 501 E N 0.885 121.138 120.200 0.088 0.000 2.051 501 E HA -0.174 4.170 4.350 -0.009 0.000 0.192 501 E C 1.844 178.485 176.600 0.069 0.000 0.991 501 E CA 1.689 58.132 56.400 0.073 0.000 0.799 501 E CB -0.523 29.201 29.700 0.041 0.000 0.748 501 E HN 0.739 nan 8.360 nan 0.000 0.449 502 I N -1.928 118.675 120.570 0.054 0.000 2.614 502 I HA -0.089 4.075 4.170 -0.009 0.000 0.258 502 I C 2.075 178.277 176.117 0.143 0.000 1.189 502 I CA 0.992 62.338 61.300 0.077 0.000 1.462 502 I CB -0.282 37.733 38.000 0.025 0.000 1.092 502 I HN 0.021 nan 8.210 nan 0.000 0.442 503 I N 1.919 122.545 120.570 0.094 0.000 2.333 503 I HA -0.122 4.042 4.170 -0.009 0.000 0.246 503 I C 2.960 179.054 176.117 -0.038 0.000 1.106 503 I CA 1.218 62.515 61.300 -0.005 0.000 1.411 503 I CB -0.320 37.547 38.000 -0.222 0.000 1.082 503 I HN 0.268 nan 8.210 nan 0.000 0.420 504 A N 0.183 123.067 122.820 0.105 0.000 1.972 504 A HA -0.215 4.099 4.320 -0.009 0.000 0.219 504 A C 2.153 179.777 177.584 0.066 0.000 1.169 504 A CA 1.515 53.658 52.037 0.176 0.000 0.635 504 A CB -0.538 18.590 19.000 0.214 0.000 0.810 504 A HN 0.419 nan 8.150 nan 0.000 0.446 505 E N -0.661 119.558 120.200 0.032 0.000 2.153 505 E HA -0.177 4.167 4.350 -0.009 0.000 0.194 505 E C 2.238 178.805 176.600 -0.055 0.000 0.988 505 E CA 1.118 57.520 56.400 0.003 0.000 0.811 505 E CB 0.006 29.714 29.700 0.013 0.000 0.746 505 E HN 0.532 nan 8.360 nan 0.000 0.466 506 R N -0.018 120.393 120.500 -0.149 0.000 2.103 506 R HA 0.098 4.432 4.340 -0.009 0.000 0.212 506 R C 2.254 178.461 176.300 -0.155 0.000 1.107 506 R CA 0.791 56.712 56.100 -0.297 0.000 1.025 506 R CB -0.224 29.548 30.300 -0.881 0.000 0.929 506 R HN 0.269 nan 8.270 nan 0.000 0.456 507 I N -2.279 118.221 120.570 -0.116 0.000 4.025 507 I HA 0.451 4.615 4.170 -0.009 0.000 0.336 507 I C 0.419 176.584 176.117 0.079 0.000 1.390 507 I CA 0.026 61.322 61.300 -0.007 0.000 1.099 507 I CB 0.864 38.849 38.000 -0.025 0.000 1.049 507 I HN 0.211 nan 8.210 nan 0.000 0.394 508 G N 1.878 110.736 108.800 0.096 0.000 2.698 508 G HA2 -0.212 3.743 3.960 -0.009 0.000 0.225 508 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.225 508 G C -0.045 174.997 174.900 0.237 0.000 1.345 508 G CA 0.149 45.329 45.100 0.133 0.000 0.871 508 G HN 0.435 nan 8.290 nan 0.000 0.540 509 E N -0.462 119.814 120.200 0.127 0.000 2.476 509 E HA 0.084 4.428 4.350 -0.009 0.000 0.199 509 E C 1.809 178.345 176.600 -0.106 0.000 1.021 509 E CA -0.033 56.368 56.400 0.002 0.000 0.907 509 E CB 0.296 29.996 29.700 0.001 0.000 0.974 509 E HN 0.466 nan 8.360 nan 0.000 0.489 510 E N 0.535 120.749 120.200 0.022 0.000 2.333 510 E HA -0.167 4.178 4.350 -0.009 0.000 0.198 510 E C 1.526 178.120 176.600 -0.009 0.000 1.007 510 E CA 0.713 57.121 56.400 0.014 0.000 0.845 510 E CB 0.057 29.790 29.700 0.055 0.000 0.766 510 E HN 0.511 nan 8.360 nan 0.000 0.507 511 Y N -1.057 119.254 120.300 0.017 0.000 2.439 511 Y HA -0.066 4.480 4.550 -0.008 0.000 0.292 511 Y C 1.839 177.722 175.900 -0.029 0.000 1.130 511 Y CA 0.335 58.437 58.100 0.003 0.000 1.254 511 Y CB -0.392 38.073 38.460 0.009 0.000 1.000 511 Y HN -0.097 nan 8.280 nan 0.000 0.554 512 I N 1.241 121.345 120.570 -0.776 0.000 2.423 512 I HA -0.221 3.943 4.170 -0.009 0.000 0.254 512 I C 1.529 177.414 176.117 -0.386 0.000 1.151 512 I CA 1.750 62.659 61.300 -0.651 0.000 1.421 512 I CB -1.407 36.112 38.000 -0.801 0.000 1.079 512 I HN 0.517 nan 8.210 nan 0.000 0.431 513 S N -1.525 114.052 115.700 -0.205 0.000 2.650 513 S HA 0.204 4.668 4.470 -0.009 0.000 0.240 513 S C 0.288 174.880 174.600 -0.013 0.000 1.007 513 S CA -0.421 57.731 58.200 -0.079 0.000 0.984 513 S CB 0.477 63.700 63.200 0.039 0.000 0.910 513 S HN 0.303 nan 8.310 nan 0.000 0.509 514 D N 0.964 121.364 120.400 0.001 0.000 3.118 514 D HA 0.231 4.865 4.640 -0.009 0.000 0.286 514 D C 0.721 177.073 176.300 0.086 0.000 1.255 514 D CA -0.347 53.677 54.000 0.041 0.000 0.748 514 D CB -0.170 40.658 40.800 0.047 0.000 1.332 514 D HN 0.098 nan 8.370 nan 0.000 0.575 515 L N 0.362 121.638 121.223 0.088 0.000 2.263 515 L HA -0.157 4.178 4.340 -0.009 0.000 0.216 515 L C 1.100 178.029 176.870 0.099 0.000 1.111 515 L CA 1.267 56.187 54.840 0.134 0.000 0.773 515 L CB 0.027 42.153 42.059 0.111 0.000 0.906 515 L HN 0.315 nan 8.230 nan 0.000 0.439 516 D N -0.409 120.027 120.400 0.060 0.000 2.221 516 D HA -0.209 4.425 4.640 -0.009 0.000 0.204 516 D C 2.036 178.363 176.300 0.044 0.000 0.982 516 D CA 0.896 54.916 54.000 0.034 0.000 0.857 516 D CB 0.005 40.813 40.800 0.013 0.000 0.934 516 D HN 0.514 nan 8.370 nan 0.000 0.475 517 Q N -0.144 119.700 119.800 0.073 0.000 2.364 517 Q HA -0.117 4.217 4.340 -0.009 0.000 0.209 517 Q C 1.831 177.855 176.000 0.040 0.000 0.977 517 Q CA 0.198 56.045 55.803 0.073 0.000 0.885 517 Q CB 0.052 28.864 28.738 0.123 0.000 0.941 517 Q HN 0.192 nan 8.270 nan 0.000 0.464 518 L N 0.728 121.966 121.223 0.026 0.000 2.265 518 L HA -0.173 4.162 4.340 -0.009 0.000 0.215 518 L C 2.081 178.952 176.870 0.001 0.000 1.117 518 L CA 1.504 56.325 54.840 -0.032 0.000 0.782 518 L CB -0.515 41.535 42.059 -0.014 0.000 0.914 518 L HN 0.141 nan 8.230 nan 0.000 0.441 519 R N -0.459 120.052 120.500 0.018 0.000 2.127 519 R HA -0.185 4.149 4.340 -0.009 0.000 0.238 519 R C 1.967 178.277 176.300 0.017 0.000 1.134 519 R CA 1.055 57.166 56.100 0.019 0.000 0.975 519 R CB -0.203 30.104 30.300 0.012 0.000 0.865 519 R HN 0.416 nan 8.270 nan 0.000 0.447 520 K N 0.534 120.946 120.400 0.019 0.000 2.360 520 K HA -0.084 4.230 4.320 -0.009 0.000 0.201 520 K C 1.813 178.459 176.600 0.076 0.000 1.046 520 K CA 0.695 57.000 56.287 0.030 0.000 0.945 520 K CB -0.028 32.499 32.500 0.045 0.000 0.750 520 K HN 0.233 nan 8.250 nan 0.000 0.464 521 L N 0.594 121.856 121.223 0.064 0.000 2.465 521 L HA -0.111 4.223 4.340 -0.009 0.000 0.224 521 L C 1.782 178.724 176.870 0.119 0.000 1.145 521 L CA 0.019 54.921 54.840 0.103 0.000 0.834 521 L CB -0.155 41.929 42.059 0.042 0.000 0.944 521 L HN 0.145 nan 8.230 nan 0.000 0.451 522 L N 0.021 121.275 121.223 0.052 0.000 2.131 522 L HA -0.172 4.162 4.340 -0.009 0.000 0.210 522 L C 2.671 179.521 176.870 -0.032 0.000 1.092 522 L CA 1.904 56.758 54.840 0.023 0.000 0.759 522 L CB -0.827 41.234 42.059 0.003 0.000 0.903 522 L HN 0.330 nan 8.230 nan 0.000 0.435 523 S N -2.716 112.907 115.700 -0.129 0.000 2.603 523 S HA -0.058 4.406 4.470 -0.009 0.000 0.220 523 S C 1.123 175.443 174.600 -0.467 0.000 0.967 523 S CA 0.157 58.178 58.200 -0.298 0.000 0.920 523 S CB -0.494 62.467 63.200 -0.399 0.000 0.773 523 S HN 0.454 nan 8.310 nan 0.000 0.529 524 Y N -0.389 119.836 120.300 -0.124 0.000 2.612 524 Y HA 0.446 4.994 4.550 -0.003 0.000 0.250 524 Y C 1.788 177.707 175.900 0.032 0.000 1.175 524 Y CA -0.627 57.388 58.100 -0.142 0.000 1.205 524 Y CB 0.233 38.386 38.460 -0.512 0.000 1.201 524 Y HN 0.263 nan 8.280 nan 0.000 0.532 525 V N 0.361 120.354 119.914 0.131 0.000 3.078 525 V HA -0.179 3.936 4.120 -0.009 0.000 0.265 525 V C 0.759 176.918 176.094 0.109 0.000 1.122 525 V CA 2.092 64.475 62.300 0.138 0.000 1.141 525 V CB -0.018 31.851 31.823 0.076 0.000 0.735 525 V HN 0.364 nan 8.190 nan 0.000 0.498 526 D N -1.031 119.418 120.400 0.080 0.000 2.500 526 D HA 0.127 4.761 4.640 -0.009 0.000 0.217 526 D C 0.269 176.617 176.300 0.080 0.000 1.159 526 D CA -0.102 53.935 54.000 0.062 0.000 0.828 526 D CB 0.230 41.044 40.800 0.023 0.000 1.039 526 D HN 0.409 nan 8.370 nan 0.000 0.512 527 D N 1.642 122.122 120.400 0.132 0.000 2.371 527 D HA -0.037 4.598 4.640 -0.009 0.000 0.256 527 D C 1.251 177.653 176.300 0.170 0.000 1.193 527 D CA 0.086 54.185 54.000 0.164 0.000 0.881 527 D CB 1.589 42.553 40.800 0.274 0.000 1.143 527 D HN -0.246 nan 8.370 nan 0.000 0.473 528 E N 3.381 123.650 120.200 0.115 0.000 2.077 528 E HA -0.137 4.207 4.350 -0.009 0.000 0.193 528 E C 1.700 178.359 176.600 0.097 0.000 0.989 528 E CA 1.424 57.877 56.400 0.089 0.000 0.800 528 E CB -0.272 29.463 29.700 0.059 0.000 0.746 528 E HN 0.614 nan 8.360 nan 0.000 0.452 529 A N -0.256 122.634 122.820 0.117 0.000 1.898 529 A HA -0.144 4.170 4.320 -0.009 0.000 0.216 529 A C 2.197 179.869 177.584 0.146 0.000 1.181 529 A CA 1.242 53.344 52.037 0.109 0.000 0.620 529 A CB -0.843 18.221 19.000 0.106 0.000 0.819 529 A HN 0.334 nan 8.150 nan 0.000 0.442 530 F N 0.607 120.570 119.950 0.022 0.000 2.102 530 F HA -0.143 4.380 4.527 -0.007 0.000 0.298 530 F C 2.032 177.838 175.800 0.009 0.000 1.105 530 F CA 1.416 59.415 58.000 -0.001 0.000 1.239 530 F CB -0.402 38.608 39.000 0.016 0.000 0.991 530 F HN 0.168 nan 8.300 nan 0.000 0.474 531 I N -0.121 120.503 120.570 0.090 0.000 2.194 531 I HA -0.370 3.795 4.170 -0.009 0.000 0.246 531 I C 2.642 178.721 176.117 -0.063 0.000 1.093 531 I CA 1.790 63.085 61.300 -0.007 0.000 1.355 531 I CB -0.459 37.575 38.000 0.057 0.000 1.046 531 I HN 0.080 nan 8.210 nan 0.000 0.413 532 R N 0.764 121.246 120.500 -0.029 0.000 2.096 532 R HA -0.187 4.147 4.340 -0.009 0.000 0.235 532 R C 1.858 178.112 176.300 -0.076 0.000 1.127 532 R CA 1.838 57.916 56.100 -0.037 0.000 0.968 532 R CB -0.106 30.189 30.300 -0.008 0.000 0.861 532 R HN 0.277 nan 8.270 nan 0.000 0.440 533 D N -0.408 119.924 120.400 -0.114 0.000 2.091 533 D HA -0.109 4.525 4.640 -0.009 0.000 0.199 533 D C 1.941 178.104 176.300 -0.228 0.000 0.980 533 D CA 1.249 55.158 54.000 -0.152 0.000 0.831 533 D CB -0.258 40.451 40.800 -0.150 0.000 0.987 533 D HN 0.046 nan 8.370 nan 0.000 0.460 534 V N 1.464 121.144 119.914 -0.390 0.000 2.324 534 V HA -0.285 3.829 4.120 -0.009 0.000 0.250 534 V C 2.476 178.472 176.094 -0.163 0.000 1.060 534 V CA 2.017 64.104 62.300 -0.354 0.000 1.042 534 V CB -0.797 30.769 31.823 -0.427 0.000 0.650 534 V HN 0.205 nan 8.190 nan 0.000 0.450 535 A N -0.823 121.925 122.820 -0.120 0.000 1.969 535 A HA -0.234 4.080 4.320 -0.009 0.000 0.218 535 A C 2.359 179.906 177.584 -0.061 0.000 1.169 535 A CA 2.007 54.007 52.037 -0.061 0.000 0.635 535 A CB -0.430 18.540 19.000 -0.050 0.000 0.810 535 A HN 0.527 nan 8.150 nan 0.000 0.445 536 K N 0.181 120.538 120.400 -0.071 0.000 2.025 536 K HA -0.104 4.211 4.320 -0.009 0.000 0.207 536 K C 1.978 178.550 176.600 -0.047 0.000 1.049 536 K CA 1.699 57.953 56.287 -0.054 0.000 0.933 536 K CB -0.339 32.131 32.500 -0.050 0.000 0.714 536 K HN 0.424 nan 8.250 nan 0.000 0.438 537 V N -0.175 119.705 119.914 -0.057 0.000 2.407 537 V HA -0.178 3.936 4.120 -0.009 0.000 0.248 537 V C 2.217 178.295 176.094 -0.026 0.000 1.055 537 V CA 1.985 64.261 62.300 -0.039 0.000 1.049 537 V CB -0.649 31.145 31.823 -0.048 0.000 0.662 537 V HN 0.186 nan 8.190 nan 0.000 0.455 538 K N 0.768 121.151 120.400 -0.030 0.000 2.097 538 K HA -0.181 4.134 4.320 -0.009 0.000 0.205 538 K C 2.274 178.852 176.600 -0.037 0.000 1.050 538 K CA 2.061 58.339 56.287 -0.015 0.000 0.938 538 K CB -0.635 31.870 32.500 0.008 0.000 0.718 538 K HN 0.542 nan 8.250 nan 0.000 0.442 539 Q N 1.066 120.837 119.800 -0.048 0.000 2.079 539 Q HA -0.082 4.252 4.340 -0.009 0.000 0.200 539 Q C 1.656 177.634 176.000 -0.036 0.000 0.974 539 Q CA 1.898 57.663 55.803 -0.062 0.000 0.840 539 Q CB -0.089 28.616 28.738 -0.056 0.000 0.898 539 Q HN 0.520 nan 8.270 nan 0.000 0.430 540 E N -0.581 119.609 120.200 -0.016 0.000 2.106 540 E HA -0.142 4.202 4.350 -0.009 0.000 0.192 540 E C 1.691 178.309 176.600 0.030 0.000 0.984 540 E CA 0.907 57.312 56.400 0.007 0.000 0.806 540 E CB 0.007 29.710 29.700 0.005 0.000 0.750 540 E HN 0.376 nan 8.360 nan 0.000 0.458 541 N N 0.882 119.597 118.700 0.026 0.000 2.142 541 N HA -0.128 4.606 4.740 -0.009 0.000 0.186 541 N C 1.475 177.052 175.510 0.111 0.000 1.023 541 N CA 1.047 54.131 53.050 0.057 0.000 0.852 541 N CB -0.070 38.436 38.487 0.033 0.000 0.998 541 N HN 0.105 nan 8.380 nan 0.000 0.424 542 K N 0.554 120.982 120.400 0.047 0.000 2.057 542 K HA -0.018 4.297 4.320 -0.009 0.000 0.207 542 K C 2.079 178.775 176.600 0.160 0.000 1.049 542 K CA 0.702 57.017 56.287 0.046 0.000 0.931 542 K CB -0.198 32.085 32.500 -0.363 0.000 0.714 542 K HN 0.120 nan 8.250 nan 0.000 0.440 543 L N 1.094 122.365 121.223 0.080 0.000 2.083 543 L HA -0.176 4.158 4.340 -0.009 0.000 0.209 543 L C 2.605 179.558 176.870 0.139 0.000 1.083 543 L CA 1.156 56.052 54.840 0.094 0.000 0.752 543 L CB -0.240 41.851 42.059 0.053 0.000 0.899 543 L HN 0.116 nan 8.230 nan 0.000 0.433 544 K N -0.554 119.938 120.400 0.155 0.000 2.103 544 K HA -0.168 4.146 4.320 -0.009 0.000 0.204 544 K C 2.146 178.897 176.600 0.253 0.000 1.052 544 K CA 1.297 57.687 56.287 0.172 0.000 0.945 544 K CB -0.093 32.495 32.500 0.146 0.000 0.722 544 K HN 0.119 nan 8.250 nan 0.000 0.443 545 F N 1.445 121.483 119.950 0.148 0.000 2.128 545 F HA -0.044 4.477 4.527 -0.009 0.000 0.295 545 F C 2.101 178.040 175.800 0.231 0.000 1.100 545 F CA 1.148 59.253 58.000 0.175 0.000 1.260 545 F CB -0.573 38.536 39.000 0.182 0.000 1.009 545 F HN -0.005 nan 8.300 nan 0.000 0.476 546 A N 0.215 123.166 122.820 0.218 0.000 1.986 546 A HA -0.113 4.201 4.320 -0.009 0.000 0.220 546 A C 2.365 179.958 177.584 0.014 0.000 1.171 546 A CA 1.949 54.036 52.037 0.084 0.000 0.640 546 A CB -1.453 17.651 19.000 0.173 0.000 0.811 546 A HN 0.483 nan 8.150 nan 0.000 0.451 547 A N -1.449 121.414 122.820 0.073 0.000 1.874 547 A HA 0.019 4.333 4.320 -0.009 0.000 0.214 547 A C 2.101 179.716 177.584 0.052 0.000 1.189 547 A CA 1.404 53.482 52.037 0.069 0.000 0.615 547 A CB -0.893 18.162 19.000 0.092 0.000 0.830 547 A HN 0.761 nan 8.150 nan 0.000 0.443 548 Y N 0.316 120.577 120.300 -0.065 0.000 2.151 548 Y HA -0.252 4.292 4.550 -0.009 0.000 0.284 548 Y C 1.891 177.722 175.900 -0.115 0.000 1.166 548 Y CA 1.833 59.888 58.100 -0.074 0.000 1.163 548 Y CB -0.410 38.020 38.460 -0.049 0.000 0.974 548 Y HN 0.192 nan 8.280 nan 0.000 0.511 549 L N 1.002 122.192 121.223 -0.055 0.000 1.990 549 L HA -0.261 4.074 4.340 -0.009 0.000 0.213 549 L C 2.402 179.229 176.870 -0.072 0.000 1.072 549 L CA 2.240 57.020 54.840 -0.100 0.000 0.755 549 L CB -1.167 40.760 42.059 -0.220 0.000 0.889 549 L HN 0.377 nan 8.230 nan 0.000 0.432 550 E N -1.631 118.536 120.200 -0.055 0.000 2.152 550 E HA -0.167 4.178 4.350 -0.009 0.000 0.192 550 E C 2.287 178.843 176.600 -0.074 0.000 0.983 550 E CA 0.474 56.861 56.400 -0.020 0.000 0.818 550 E CB 0.057 29.781 29.700 0.040 0.000 0.758 550 E HN 0.361 nan 8.360 nan 0.000 0.467 551 R N 0.721 121.144 120.500 -0.128 0.000 2.096 551 R HA -0.167 4.167 4.340 -0.009 0.000 0.229 551 R C 2.049 178.187 176.300 -0.270 0.000 1.134 551 R CA 1.717 57.714 56.100 -0.171 0.000 0.917 551 R CB -0.064 30.126 30.300 -0.182 0.000 0.832 551 R HN -0.008 nan 8.270 nan 0.000 0.430 552 E N -1.634 118.267 120.200 -0.497 0.000 2.299 552 E HA -0.070 4.274 4.350 -0.009 0.000 0.193 552 E C 0.830 176.989 176.600 -0.734 0.000 0.998 552 E CA 0.856 56.842 56.400 -0.690 0.000 0.851 552 E CB 0.372 29.423 29.700 -1.083 0.000 0.795 552 E HN 0.387 nan 8.360 nan 0.000 0.492 553 Y N -0.164 120.007 120.300 -0.214 0.000 2.423 553 Y HA 0.283 4.827 4.550 -0.010 0.000 0.257 553 Y C -0.350 175.515 175.900 -0.057 0.000 1.087 553 Y CA -0.445 57.594 58.100 -0.101 0.000 1.258 553 Y CB 0.795 39.212 38.460 -0.072 0.000 1.237 553 Y HN -0.340 nan 8.280 nan 0.000 0.517 554 K N 1.036 121.466 120.400 0.051 0.000 6.098 554 K HA -0.077 4.238 4.320 -0.009 0.000 0.538 554 K C -0.623 176.015 176.600 0.063 0.000 1.338 554 K CA 0.942 57.254 56.287 0.042 0.000 1.473 554 K CB -1.599 30.914 32.500 0.021 0.000 1.815 554 K HN 0.457 nan 8.250 nan 0.000 0.359 555 V N -2.619 117.338 119.914 0.072 0.000 5.829 555 V HA 0.010 4.124 4.120 -0.009 0.000 0.697 555 V C -0.130 176.042 176.094 0.130 0.000 1.997 555 V CA -0.058 62.298 62.300 0.093 0.000 3.668 555 V CB -1.094 30.779 31.823 0.084 0.000 0.116 555 V HN 0.973 nan 8.190 nan 0.000 0.567 556 H N 0.919 119.995 119.070 0.010 0.000 2.892 556 H HA -0.084 4.466 4.556 -0.009 0.000 0.274 556 H C -0.273 175.060 175.328 0.008 0.000 0.794 556 H CA 1.912 57.968 56.048 0.013 0.000 1.128 556 H CB 0.094 29.869 29.762 0.021 0.000 1.126 556 H HN 1.379 nan 8.280 nan 0.000 0.623 557 I N 0.096 120.342 120.570 -0.541 0.000 3.102 557 I HA 0.424 4.589 4.170 -0.009 0.000 0.310 557 I C -0.671 175.203 176.117 -0.405 0.000 1.246 557 I CA -1.288 59.825 61.300 -0.312 0.000 0.979 557 I CB 2.211 40.110 38.000 -0.168 0.000 1.267 557 I HN 0.608 nan 8.210 nan 0.000 0.451 558 N N 3.389 122.042 118.700 -0.078 0.000 2.469 558 N HA 0.505 5.240 4.740 -0.009 0.000 0.253 558 N C -2.189 173.404 175.510 0.138 0.000 0.970 558 N CA -2.558 50.504 53.050 0.021 0.000 0.940 558 N CB 1.445 39.972 38.487 0.065 0.000 1.128 558 N HN 0.349 nan 8.380 nan 0.000 0.503 559 P HA 0.036 nan 4.420 nan 0.000 0.239 559 P C -0.069 177.161 177.300 -0.117 0.000 1.184 559 P CA 0.962 64.054 63.100 -0.013 0.000 0.760 559 P CB 0.142 31.840 31.700 -0.003 0.000 0.884 560 N N -1.178 117.511 118.700 -0.019 0.000 2.325 560 N HA 0.009 4.743 4.740 -0.009 0.000 0.182 560 N C 0.508 176.033 175.510 0.026 0.000 1.088 560 N CA -0.121 52.923 53.050 -0.010 0.000 0.879 560 N CB 0.146 38.648 38.487 0.025 0.000 0.983 560 N HN 0.143 nan 8.380 nan 0.000 0.471 561 S N 0.215 115.934 115.700 0.032 0.000 2.624 561 S HA 0.204 4.668 4.470 -0.009 0.000 0.263 561 S C 0.024 174.578 174.600 -0.077 0.000 1.287 561 S CA -0.843 57.370 58.200 0.022 0.000 0.990 561 S CB 1.046 64.286 63.200 0.067 0.000 0.950 561 S HN 0.150 nan 8.310 nan 0.000 0.561 562 L N 1.776 122.812 121.223 -0.311 0.000 2.361 562 L HA 0.345 4.679 4.340 -0.009 0.000 0.278 562 L C -1.051 175.787 176.870 -0.054 0.000 1.113 562 L CA -0.634 53.833 54.840 -0.623 0.000 0.849 562 L CB -0.141 41.282 42.059 -1.059 0.000 1.155 562 L HN 0.622 nan 8.230 nan 0.000 0.452 563 F N 3.724 123.537 119.950 -0.227 0.000 2.423 563 F HA 0.153 4.675 4.527 -0.008 0.000 0.356 563 F C 0.524 176.250 175.800 -0.122 0.000 1.170 563 F CA -0.883 57.049 58.000 -0.113 0.000 1.163 563 F CB -0.018 38.965 39.000 -0.029 0.000 1.318 563 F HN 0.415 nan 8.300 nan 0.000 0.569 564 D N 3.824 124.213 120.400 -0.018 0.000 2.411 564 D HA 0.247 4.882 4.640 -0.009 0.000 0.225 564 D C -0.905 175.323 176.300 -0.121 0.000 1.156 564 D CA 0.127 54.074 54.000 -0.090 0.000 0.874 564 D CB 0.999 41.736 40.800 -0.105 0.000 1.034 564 D HN 0.283 nan 8.370 nan 0.000 0.502 565 V N 3.212 123.037 119.914 -0.148 0.000 2.656 565 V HA 0.528 4.642 4.120 -0.009 0.000 0.307 565 V C -1.356 174.580 176.094 -0.264 0.000 1.051 565 V CA -0.697 61.499 62.300 -0.175 0.000 0.893 565 V CB 1.924 33.692 31.823 -0.092 0.000 0.999 565 V HN 0.494 nan 8.190 nan 0.000 0.426 566 Q N 4.863 124.525 119.800 -0.229 0.000 2.394 566 Q HA 0.669 5.004 4.340 -0.009 0.000 0.261 566 Q C -1.500 174.334 176.000 -0.277 0.000 1.023 566 Q CA -0.658 54.998 55.803 -0.244 0.000 0.720 566 Q CB 1.859 30.484 28.738 -0.188 0.000 1.241 566 Q HN 1.100 nan 8.270 nan 0.000 0.483 567 V N 2.274 122.009 119.914 -0.299 0.000 2.444 567 V HA 0.833 4.947 4.120 -0.009 0.000 0.294 567 V C -0.765 175.039 176.094 -0.483 0.000 1.022 567 V CA -0.578 61.356 62.300 -0.611 0.000 0.850 567 V CB 1.152 32.383 31.823 -0.987 0.000 0.992 567 V HN 0.823 nan 8.190 nan 0.000 0.426 568 K N 2.790 122.965 120.400 -0.376 0.000 2.842 568 K HA 0.454 4.769 4.320 -0.009 0.000 0.293 568 K C -1.292 175.317 176.600 0.015 0.000 1.068 568 K CA -1.064 55.185 56.287 -0.063 0.000 0.827 568 K CB 1.052 33.514 32.500 -0.065 0.000 1.524 568 K HN 0.440 nan 8.250 nan 0.000 0.368 569 R N 0.752 121.319 120.500 0.111 0.000 2.643 569 R HA 0.243 4.577 4.340 -0.009 0.000 0.270 569 R C 0.334 176.672 176.300 0.063 0.000 1.061 569 R CA -0.458 55.724 56.100 0.135 0.000 1.107 569 R CB -0.123 30.312 30.300 0.224 0.000 0.999 569 R HN 0.467 nan 8.270 nan 0.000 0.460 570 I N 4.366 124.942 120.570 0.010 0.000 2.452 570 I HA 0.106 4.271 4.170 -0.009 0.000 0.287 570 I C 0.791 176.798 176.117 -0.183 0.000 1.079 570 I CA 0.590 61.843 61.300 -0.079 0.000 1.387 570 I CB -0.242 37.704 38.000 -0.090 0.000 1.404 570 I HN 0.278 nan 8.210 nan 0.000 0.522 571 H N 4.207 123.196 119.070 -0.136 0.000 3.016 571 H HA 0.267 4.818 4.556 -0.009 0.000 0.362 571 H C 0.296 175.530 175.328 -0.157 0.000 1.233 571 H CA -0.479 55.532 56.048 -0.062 0.000 1.124 571 H CB 2.134 31.786 29.762 -0.183 0.000 1.850 571 H HN 0.506 nan 8.280 nan 0.000 0.549 572 E N 0.774 121.066 120.200 0.153 0.000 2.158 572 E HA -0.137 4.207 4.350 -0.009 0.000 0.191 572 E C 1.323 177.690 176.600 -0.388 0.000 0.982 572 E CA 0.808 57.226 56.400 0.029 0.000 0.823 572 E CB 0.152 30.070 29.700 0.362 0.000 0.766 572 E HN 0.508 nan 8.360 nan 0.000 0.468 573 Y N 0.595 120.388 120.300 -0.844 0.000 2.457 573 Y HA 0.063 4.607 4.550 -0.010 0.000 0.292 573 Y C 1.531 177.161 175.900 -0.449 0.000 1.125 573 Y CA 0.557 57.973 58.100 -1.141 0.000 1.254 573 Y CB 0.116 37.913 38.460 -1.105 0.000 1.012 573 Y HN -0.221 nan 8.280 nan 0.000 0.555 574 K N 1.012 120.939 120.400 -0.789 0.000 2.366 574 K HA 0.030 4.344 4.320 -0.009 0.000 0.198 574 K C 0.218 176.640 176.600 -0.298 0.000 1.044 574 K CA 0.678 56.621 56.287 -0.574 0.000 0.973 574 K CB -0.132 32.062 32.500 -0.510 0.000 0.767 574 K HN 0.382 nan 8.250 nan 0.000 0.475 575 R N 0.860 121.216 120.500 -0.240 0.000 3.332 575 R HA -0.179 4.156 4.340 -0.009 0.000 0.263 575 R C 0.594 176.815 176.300 -0.132 0.000 1.053 575 R CA 0.177 56.189 56.100 -0.146 0.000 0.705 575 R CB -1.902 28.324 30.300 -0.124 0.000 1.166 575 R HN 0.209 nan 8.270 nan 0.000 0.427 576 Q N 0.190 119.912 119.800 -0.128 0.000 2.226 576 Q HA -0.040 4.294 4.340 -0.009 0.000 0.204 576 Q C 1.829 177.780 176.000 -0.082 0.000 0.975 576 Q CA 1.417 57.157 55.803 -0.105 0.000 0.866 576 Q CB 0.058 28.738 28.738 -0.097 0.000 0.915 576 Q HN 0.601 nan 8.270 nan 0.000 0.440 577 L N -0.570 120.606 121.223 -0.077 0.000 2.083 577 L HA -0.182 4.152 4.340 -0.009 0.000 0.209 577 L C 1.981 178.850 176.870 -0.001 0.000 1.083 577 L CA 0.571 55.380 54.840 -0.053 0.000 0.752 577 L CB -0.317 41.719 42.059 -0.037 0.000 0.899 577 L HN 0.313 nan 8.230 nan 0.000 0.433 578 L N -0.180 121.034 121.223 -0.016 0.000 2.141 578 L HA -0.207 4.127 4.340 -0.009 0.000 0.209 578 L C 1.966 178.882 176.870 0.077 0.000 1.094 578 L CA 1.801 56.644 54.840 0.005 0.000 0.763 578 L CB -0.784 41.175 42.059 -0.167 0.000 0.908 578 L HN 0.272 nan 8.230 nan 0.000 0.437 579 N N -1.792 116.924 118.700 0.028 0.000 2.142 579 N HA -0.216 4.519 4.740 -0.009 0.000 0.186 579 N C 1.952 177.546 175.510 0.140 0.000 1.023 579 N CA 1.444 54.584 53.050 0.150 0.000 0.852 579 N CB -0.119 38.390 38.487 0.037 0.000 0.998 579 N HN 0.474 nan 8.380 nan 0.000 0.424 580 C N 0.722 120.040 119.300 0.030 0.000 2.413 580 C HA -0.093 4.362 4.460 -0.009 0.000 0.276 580 C C 2.589 177.581 174.990 0.004 0.000 1.236 580 C CA 0.431 59.421 59.018 -0.046 0.000 1.735 580 C CB -1.279 26.380 27.740 -0.135 0.000 2.031 580 C HN 0.520 nan 8.230 nan 0.000 0.474 581 L N -0.253 121.030 121.223 0.101 0.000 2.081 581 L HA -0.232 4.103 4.340 -0.009 0.000 0.212 581 L C 2.695 179.727 176.870 0.270 0.000 1.080 581 L CA 1.930 56.884 54.840 0.191 0.000 0.754 581 L CB -1.114 41.133 42.059 0.314 0.000 0.893 581 L HN 0.629 nan 8.230 nan 0.000 0.433 582 H N -0.191 118.983 119.070 0.173 0.000 2.333 582 H HA -0.112 4.439 4.556 -0.009 0.000 0.302 582 H C 2.268 177.588 175.328 -0.014 0.000 1.075 582 H CA 1.664 57.731 56.048 0.032 0.000 1.348 582 H CB 0.369 30.086 29.762 -0.076 0.000 1.393 582 H HN 0.081 nan 8.280 nan 0.000 0.509 583 V N 1.495 121.339 119.914 -0.116 0.000 2.332 583 V HA -0.276 3.838 4.120 -0.009 0.000 0.248 583 V C 2.788 178.820 176.094 -0.102 0.000 1.055 583 V CA 1.918 64.111 62.300 -0.178 0.000 1.038 583 V CB -0.509 31.252 31.823 -0.104 0.000 0.651 583 V HN 0.379 nan 8.190 nan 0.000 0.450 584 I N -0.360 120.187 120.570 -0.038 0.000 2.315 584 I HA -0.211 3.953 4.170 -0.009 0.000 0.248 584 I C 2.478 178.665 176.117 0.117 0.000 1.117 584 I CA 1.648 62.998 61.300 0.085 0.000 1.404 584 I CB -0.515 37.517 38.000 0.054 0.000 1.071 584 I HN 0.312 nan 8.210 nan 0.000 0.419 585 T N 0.951 115.525 114.554 0.032 0.000 2.746 585 T HA -0.134 4.210 4.350 -0.009 0.000 0.267 585 T C 1.847 176.506 174.700 -0.068 0.000 1.039 585 T CA 1.110 63.218 62.100 0.014 0.000 1.142 585 T CB -0.183 68.709 68.868 0.041 0.000 0.866 585 T HN 0.072 nan 8.240 nan 0.000 0.444 586 L N 0.210 121.326 121.223 -0.179 0.000 2.017 586 L HA -0.022 4.313 4.340 -0.009 0.000 0.208 586 L C 2.110 178.943 176.870 -0.062 0.000 1.073 586 L CA 1.588 56.315 54.840 -0.188 0.000 0.745 586 L CB -1.116 40.764 42.059 -0.299 0.000 0.894 586 L HN 0.323 nan 8.230 nan 0.000 0.432 587 Y N 0.536 120.776 120.300 -0.100 0.000 2.128 587 Y HA -0.285 4.259 4.550 -0.010 0.000 0.284 587 Y C 2.443 178.325 175.900 -0.030 0.000 1.154 587 Y CA 1.934 60.014 58.100 -0.033 0.000 1.149 587 Y CB -0.312 38.178 38.460 0.051 0.000 0.976 587 Y HN 0.287 nan 8.280 nan 0.000 0.505 588 N N 0.290 118.957 118.700 -0.055 0.000 2.223 588 N HA -0.127 4.607 4.740 -0.009 0.000 0.185 588 N C 1.867 177.272 175.510 -0.174 0.000 1.016 588 N CA 1.425 54.379 53.050 -0.160 0.000 0.863 588 N CB -0.326 38.130 38.487 -0.051 0.000 0.983 588 N HN 0.446 nan 8.380 nan 0.000 0.429 589 R N 0.214 120.636 120.500 -0.131 0.000 2.090 589 R HA 0.117 4.451 4.340 -0.009 0.000 0.228 589 R C 2.139 178.354 176.300 -0.142 0.000 1.110 589 R CA 0.630 56.658 56.100 -0.120 0.000 0.973 589 R CB -0.179 30.059 30.300 -0.102 0.000 0.869 589 R HN 0.225 nan 8.270 nan 0.000 0.440 590 I N 0.963 121.428 120.570 -0.175 0.000 2.252 590 I HA -0.245 3.919 4.170 -0.009 0.000 0.245 590 I C 1.950 177.950 176.117 -0.196 0.000 1.102 590 I CA 1.168 62.364 61.300 -0.173 0.000 1.385 590 I CB -0.066 37.832 38.000 -0.171 0.000 1.064 590 I HN 0.002 nan 8.210 nan 0.000 0.414 591 K N 0.687 120.911 120.400 -0.294 0.000 2.362 591 K HA -0.169 4.145 4.320 -0.009 0.000 0.200 591 K C 1.950 178.448 176.600 -0.169 0.000 1.046 591 K CA 0.875 56.999 56.287 -0.271 0.000 0.952 591 K CB -0.156 32.099 32.500 -0.410 0.000 0.753 591 K HN 0.155 nan 8.250 nan 0.000 0.466 592 K N 1.848 122.158 120.400 -0.150 0.000 2.098 592 K HA -0.043 4.272 4.320 -0.009 0.000 0.203 592 K C 0.098 176.650 176.600 -0.080 0.000 1.051 592 K CA 1.107 57.332 56.287 -0.105 0.000 0.957 592 K CB 0.420 32.862 32.500 -0.096 0.000 0.738 592 K HN 0.044 nan 8.250 nan 0.000 0.447 593 E N 0.784 120.936 120.200 -0.081 0.000 2.873 593 E HA 0.182 4.526 4.350 -0.009 0.000 0.232 593 E C -2.362 174.201 176.600 -0.061 0.000 1.123 593 E CA -1.789 54.576 56.400 -0.058 0.000 0.809 593 E CB 1.623 31.295 29.700 -0.046 0.000 1.366 593 E HN 0.086 nan 8.360 nan 0.000 0.400 594 P HA -0.156 nan 4.420 nan 0.000 0.215 594 P C 0.327 177.609 177.300 -0.030 0.000 1.153 594 P CA 1.218 64.286 63.100 -0.054 0.000 0.853 594 P CB 0.136 31.809 31.700 -0.046 0.000 0.788 595 N N -0.796 117.896 118.700 -0.014 0.000 2.362 595 N HA 0.012 4.746 4.740 -0.009 0.000 0.211 595 N C 0.445 175.971 175.510 0.026 0.000 1.170 595 N CA 0.055 53.110 53.050 0.008 0.000 0.828 595 N CB -0.110 38.382 38.487 0.008 0.000 1.034 595 N HN 0.085 nan 8.380 nan 0.000 0.475 596 K N 1.024 121.433 120.400 0.015 0.000 2.138 596 K HA 0.187 4.501 4.320 -0.009 0.000 0.263 596 K C -1.093 175.542 176.600 0.059 0.000 0.965 596 K CA -0.663 55.647 56.287 0.038 0.000 0.868 596 K CB 0.838 33.340 32.500 0.003 0.000 1.083 596 K HN -0.056 nan 8.250 nan 0.000 0.443 597 F N 4.675 124.612 119.950 -0.022 0.000 2.456 597 F HA 0.255 4.776 4.527 -0.010 0.000 0.358 597 F C -0.478 175.308 175.800 -0.023 0.000 1.095 597 F CA -0.126 57.862 58.000 -0.020 0.000 1.216 597 F CB 0.683 39.674 39.000 -0.015 0.000 1.125 597 F HN 0.192 nan 8.300 nan 0.000 0.549 598 V N 4.091 123.350 119.914 -1.093 0.000 2.925 598 V HA 0.546 4.661 4.120 -0.009 0.000 0.311 598 V C -0.798 174.652 176.094 -1.072 0.000 1.104 598 V CA -1.224 60.599 62.300 -0.795 0.000 0.954 598 V CB 0.993 32.578 31.823 -0.396 0.000 1.022 598 V HN 0.560 nan 8.190 nan 0.000 0.427 599 V N 4.566 124.142 119.914 -0.564 0.000 2.493 599 V HA 0.203 4.317 4.120 -0.009 0.000 0.292 599 V C -1.815 174.119 176.094 -0.267 0.000 1.016 599 V CA -0.461 61.656 62.300 -0.305 0.000 1.097 599 V CB 0.462 32.223 31.823 -0.103 0.000 0.947 599 V HN 0.913 nan 8.190 nan 0.000 0.479 600 P HA 0.362 nan 4.420 nan 0.000 0.268 600 P C -0.501 176.715 177.300 -0.140 0.000 1.205 600 P CA -0.109 62.912 63.100 -0.132 0.000 0.771 600 P CB 0.531 32.205 31.700 -0.044 0.000 0.858 601 R N 0.757 121.188 120.500 -0.116 0.000 2.651 601 R HA 0.550 4.884 4.340 -0.009 0.000 0.278 601 R C -0.930 175.331 176.300 -0.065 0.000 1.010 601 R CA -0.570 55.462 56.100 -0.113 0.000 0.896 601 R CB 1.942 32.155 30.300 -0.145 0.000 1.211 601 R HN 0.282 nan 8.270 nan 0.000 0.456 602 T N 2.171 116.703 114.554 -0.037 0.000 2.842 602 T HA 0.211 4.556 4.350 -0.009 0.000 0.308 602 T C -0.663 173.947 174.700 -0.150 0.000 1.041 602 T CA -0.568 61.470 62.100 -0.103 0.000 0.964 602 T CB 1.079 69.829 68.868 -0.197 0.000 0.972 602 T HN 0.352 nan 8.240 nan 0.000 0.460 603 V N 4.822 124.657 119.914 -0.133 0.000 2.364 603 V HA 0.674 4.788 4.120 -0.009 0.000 0.272 603 V C -0.494 175.513 176.094 -0.144 0.000 1.036 603 V CA -0.664 61.561 62.300 -0.126 0.000 0.880 603 V CB 0.586 32.356 31.823 -0.088 0.000 0.991 603 V HN 0.857 nan 8.190 nan 0.000 0.460 604 M N 7.409 126.908 119.600 -0.168 0.000 2.167 604 M HA 0.598 5.073 4.480 -0.009 0.000 0.333 604 M C -0.884 175.302 176.300 -0.189 0.000 1.030 604 M CA -0.196 54.998 55.300 -0.177 0.000 0.963 604 M CB 1.911 34.399 32.600 -0.187 0.000 1.589 604 M HN 0.531 nan 8.290 nan 0.000 0.431 605 I N 2.089 122.539 120.570 -0.201 0.000 2.436 605 I HA 0.783 4.947 4.170 -0.009 0.000 0.289 605 I C 0.136 175.956 176.117 -0.496 0.000 1.010 605 I CA -0.537 60.625 61.300 -0.230 0.000 1.098 605 I CB 2.142 40.098 38.000 -0.073 0.000 1.266 605 I HN 0.802 nan 8.210 nan 0.000 0.434 606 G N 3.157 111.620 108.800 -0.561 0.000 2.659 606 G HA2 0.836 4.790 3.960 -0.009 0.000 0.296 606 G HA3 0.836 4.790 3.960 -0.009 0.000 0.296 606 G C -0.989 173.607 174.900 -0.507 0.000 1.369 606 G CA -0.766 43.851 45.100 -0.805 0.000 0.937 606 G HN 0.958 nan 8.290 nan 0.000 0.485 607 G N -0.357 108.284 108.800 -0.266 0.000 2.347 607 G HA2 0.431 4.385 3.960 -0.009 0.000 0.303 607 G HA3 0.431 4.385 3.960 -0.009 0.000 0.303 607 G C -1.496 173.524 174.900 0.200 0.000 1.481 607 G CA -1.008 44.109 45.100 0.029 0.000 0.914 607 G HN 0.606 nan 8.290 nan 0.000 0.638 608 K N -0.284 120.233 120.400 0.195 0.000 2.123 608 K HA 0.781 5.095 4.320 -0.009 0.000 0.259 608 K C 0.112 176.836 176.600 0.207 0.000 0.960 608 K CA -0.293 56.129 56.287 0.224 0.000 0.872 608 K CB 2.104 34.647 32.500 0.072 0.000 1.079 608 K HN 0.885 nan 8.250 nan 0.000 0.440 609 A N 1.404 124.381 122.820 0.262 0.000 2.337 609 A HA 0.696 5.010 4.320 -0.009 0.000 0.329 609 A C -0.595 177.149 177.584 0.268 0.000 1.146 609 A CA -0.731 51.395 52.037 0.148 0.000 0.800 609 A CB 1.164 20.179 19.000 0.024 0.000 1.220 609 A HN 0.773 nan 8.150 nan 0.000 0.472 610 A N 3.075 126.025 122.820 0.218 0.000 2.498 610 A HA 0.504 4.818 4.320 -0.009 0.000 0.239 610 A C -1.430 176.213 177.584 0.098 0.000 1.068 610 A CA -0.906 51.258 52.037 0.213 0.000 0.766 610 A CB -0.360 18.723 19.000 0.139 0.000 1.003 610 A HN 0.585 nan 8.150 nan 0.000 0.497 611 P HA -0.140 nan 4.420 nan 0.000 0.217 611 P C 1.276 178.552 177.300 -0.040 0.000 1.148 611 P CA 2.013 65.039 63.100 -0.124 0.000 0.828 611 P CB 0.198 31.773 31.700 -0.209 0.000 0.783 612 G N -3.233 105.564 108.800 -0.005 0.000 3.088 612 G HA2 -0.101 3.853 3.960 -0.009 0.000 0.217 612 G HA3 -0.101 3.853 3.960 -0.009 0.000 0.217 612 G C -0.142 174.788 174.900 0.050 0.000 1.159 612 G CA -0.014 45.088 45.100 0.004 0.000 0.760 612 G HN 0.159 nan 8.290 nan 0.000 0.550 613 Y N 2.515 122.749 120.300 -0.110 0.000 2.594 613 Y HA 0.179 4.724 4.550 -0.010 0.000 0.344 613 Y C 1.513 177.395 175.900 -0.029 0.000 1.185 613 Y CA -1.757 56.267 58.100 -0.127 0.000 1.565 613 Y CB -0.821 37.529 38.460 -0.184 0.000 1.415 613 Y HN 0.382 nan 8.280 nan 0.000 0.488 614 H N 3.390 122.567 119.070 0.178 0.000 2.289 614 H HA -0.244 4.307 4.556 -0.009 0.000 0.296 614 H C 1.764 177.111 175.328 0.032 0.000 1.091 614 H CA 2.384 58.484 56.048 0.086 0.000 1.274 614 H CB 0.353 30.162 29.762 0.079 0.000 1.364 614 H HN 0.594 nan 8.280 nan 0.000 0.490 615 M N 1.085 120.649 119.600 -0.059 0.000 2.108 615 M HA -0.114 4.361 4.480 -0.009 0.000 0.261 615 M C 2.578 178.612 176.300 -0.444 0.000 1.066 615 M CA 1.906 57.077 55.300 -0.214 0.000 1.107 615 M CB -0.919 31.698 32.600 0.028 0.000 1.356 615 M HN 0.369 nan 8.290 nan 0.000 0.406 616 A N -0.462 121.846 122.820 -0.854 0.000 1.933 616 A HA -0.199 4.116 4.320 -0.009 0.000 0.218 616 A C 2.179 179.552 177.584 -0.353 0.000 1.175 616 A CA 1.904 53.492 52.037 -0.749 0.000 0.628 616 A CB -0.650 17.722 19.000 -1.047 0.000 0.814 616 A HN 0.605 nan 8.150 nan 0.000 0.444 617 K N -1.157 119.094 120.400 -0.249 0.000 2.217 617 K HA 0.005 4.320 4.320 -0.009 0.000 0.202 617 K C 1.780 178.342 176.600 -0.064 0.000 1.051 617 K CA 1.015 57.250 56.287 -0.088 0.000 0.952 617 K CB -0.169 32.342 32.500 0.018 0.000 0.736 617 K HN 0.332 nan 8.250 nan 0.000 0.453 618 M N 0.449 119.956 119.600 -0.154 0.000 2.254 618 M HA -0.023 4.451 4.480 -0.009 0.000 0.265 618 M C 2.020 178.253 176.300 -0.111 0.000 1.066 618 M CA 1.285 56.538 55.300 -0.079 0.000 1.123 618 M CB -0.439 32.070 32.600 -0.151 0.000 1.388 618 M HN 0.111 nan 8.290 nan 0.000 0.425 619 I N -0.436 120.024 120.570 -0.183 0.000 2.353 619 I HA -0.256 3.908 4.170 -0.009 0.000 0.248 619 I C 2.206 178.178 176.117 -0.241 0.000 1.119 619 I CA 0.861 62.039 61.300 -0.203 0.000 1.417 619 I CB -0.206 37.677 38.000 -0.196 0.000 1.078 619 I HN 0.148 nan 8.210 nan 0.000 0.421 620 I N 0.751 121.159 120.570 -0.270 0.000 2.315 620 I HA -0.279 3.885 4.170 -0.009 0.000 0.248 620 I C 2.529 178.336 176.117 -0.516 0.000 1.117 620 I CA 1.167 62.201 61.300 -0.443 0.000 1.404 620 I CB -0.196 37.530 38.000 -0.457 0.000 1.071 620 I HN 0.136 nan 8.210 nan 0.000 0.419 621 K N 1.383 121.509 120.400 -0.456 0.000 2.148 621 K HA -0.108 4.206 4.320 -0.009 0.000 0.204 621 K C 1.994 178.415 176.600 -0.299 0.000 1.050 621 K CA 1.281 57.219 56.287 -0.582 0.000 0.942 621 K CB -0.336 31.546 32.500 -1.031 0.000 0.724 621 K HN 0.224 nan 8.250 nan 0.000 0.446 622 L N 0.366 121.424 121.223 -0.275 0.000 2.056 622 L HA -0.097 4.237 4.340 -0.009 0.000 0.207 622 L C 2.066 178.686 176.870 -0.416 0.000 1.078 622 L CA 1.459 55.987 54.840 -0.520 0.000 0.749 622 L CB -0.249 41.415 42.059 -0.659 0.000 0.901 622 L HN 0.248 nan 8.230 nan 0.000 0.433 623 I N -0.026 120.347 120.570 -0.329 0.000 2.163 623 I HA -0.335 3.830 4.170 -0.009 0.000 0.243 623 I C 2.604 178.596 176.117 -0.209 0.000 1.085 623 I CA 1.980 63.139 61.300 -0.236 0.000 1.347 623 I CB -0.578 37.352 38.000 -0.118 0.000 1.044 623 I HN 0.404 nan 8.210 nan 0.000 0.408 624 T N -0.930 113.468 114.554 -0.260 0.000 2.915 624 T HA -0.028 4.316 4.350 -0.009 0.000 0.269 624 T C 1.942 176.560 174.700 -0.137 0.000 1.071 624 T CA 0.866 62.851 62.100 -0.192 0.000 1.132 624 T CB -0.384 68.331 68.868 -0.256 0.000 0.878 624 T HN 0.339 nan 8.240 nan 0.000 0.479 625 A N 1.506 124.241 122.820 -0.142 0.000 1.930 625 A HA 0.167 4.482 4.320 -0.009 0.000 0.217 625 A C 2.339 179.919 177.584 -0.007 0.000 1.175 625 A CA 1.196 53.221 52.037 -0.021 0.000 0.627 625 A CB -0.765 18.311 19.000 0.127 0.000 0.815 625 A HN 0.579 nan 8.150 nan 0.000 0.443 626 I N -0.298 120.162 120.570 -0.184 0.000 2.315 626 I HA -0.166 3.998 4.170 -0.009 0.000 0.248 626 I C 2.664 178.721 176.117 -0.099 0.000 1.117 626 I CA 1.052 62.223 61.300 -0.216 0.000 1.404 626 I CB -0.496 37.258 38.000 -0.411 0.000 1.071 626 I HN 0.383 nan 8.210 nan 0.000 0.419 627 G N 0.339 109.074 108.800 -0.108 0.000 2.422 627 G HA2 -0.239 3.715 3.960 -0.009 0.000 0.218 627 G HA3 -0.239 3.715 3.960 -0.009 0.000 0.218 627 G C 1.267 176.115 174.900 -0.086 0.000 1.146 627 G CA 0.845 45.885 45.100 -0.100 0.000 0.769 627 G HN 0.274 nan 8.290 nan 0.000 0.547 628 D N 0.118 120.515 120.400 -0.005 0.000 2.144 628 D HA -0.084 4.550 4.640 -0.009 0.000 0.199 628 D C 2.721 179.098 176.300 0.127 0.000 0.984 628 D CA 0.732 54.799 54.000 0.111 0.000 0.834 628 D CB -0.214 40.634 40.800 0.080 0.000 0.955 628 D HN 0.244 nan 8.370 nan 0.000 0.465 629 V N 0.318 120.238 119.914 0.010 0.000 2.273 629 V HA -0.145 3.970 4.120 -0.009 0.000 0.242 629 V C 2.646 178.666 176.094 -0.123 0.000 1.035 629 V CA 0.785 63.036 62.300 -0.082 0.000 1.013 629 V CB -0.386 31.319 31.823 -0.197 0.000 0.652 629 V HN 0.017 nan 8.190 nan 0.000 0.452 630 V N 0.998 120.777 119.914 -0.224 0.000 2.287 630 V HA -0.236 3.878 4.120 -0.009 0.000 0.248 630 V C 2.117 178.157 176.094 -0.091 0.000 1.053 630 V CA 2.128 64.311 62.300 -0.195 0.000 1.027 630 V CB -0.905 30.805 31.823 -0.189 0.000 0.646 630 V HN 0.575 nan 8.190 nan 0.000 0.447 631 N N -0.468 118.098 118.700 -0.223 0.000 2.550 631 N HA -0.080 4.654 4.740 -0.009 0.000 0.186 631 N C 1.006 176.216 175.510 -0.500 0.000 1.110 631 N CA 0.852 53.680 53.050 -0.369 0.000 0.912 631 N CB -0.281 37.899 38.487 -0.511 0.000 0.968 631 N HN 0.712 nan 8.380 nan 0.000 0.448 632 H N -1.742 117.340 119.070 0.020 0.000 2.767 632 H HA 0.204 4.754 4.556 -0.009 0.000 0.260 632 H C -0.668 174.685 175.328 0.042 0.000 1.172 632 H CA -0.507 55.554 56.048 0.022 0.000 1.048 632 H CB 0.748 30.511 29.762 0.001 0.000 1.697 632 H HN -0.043 nan 8.280 nan 0.000 0.606 633 D N 1.686 122.169 120.400 0.138 0.000 2.347 633 D HA 0.069 4.703 4.640 -0.009 0.000 0.235 633 D C -1.672 174.694 176.300 0.110 0.000 1.149 633 D CA -2.146 51.949 54.000 0.158 0.000 0.850 633 D CB 1.779 42.749 40.800 0.283 0.000 1.061 633 D HN 0.097 nan 8.370 nan 0.000 0.487 634 P HA -0.131 nan 4.420 nan 0.000 0.216 634 P C 1.576 178.903 177.300 0.044 0.000 1.150 634 P CA 0.443 63.578 63.100 0.059 0.000 0.837 634 P CB 0.427 32.156 31.700 0.048 0.000 0.786 635 V N -0.707 119.230 119.914 0.039 0.000 2.626 635 V HA -0.157 3.957 4.120 -0.009 0.000 0.252 635 V C 2.404 178.501 176.094 0.006 0.000 1.067 635 V CA 1.437 63.744 62.300 0.012 0.000 1.081 635 V CB -0.940 30.876 31.823 -0.011 0.000 0.686 635 V HN -0.011 nan 8.190 nan 0.000 0.468 636 V N -0.270 119.664 119.914 0.034 0.000 2.453 636 V HA 0.132 4.247 4.120 -0.009 0.000 0.247 636 V C 1.818 177.925 176.094 0.022 0.000 1.048 636 V CA 1.470 63.789 62.300 0.033 0.000 1.049 636 V CB -1.028 30.860 31.823 0.109 0.000 0.672 636 V HN 0.719 nan 8.190 nan 0.000 0.457 637 G N 1.540 110.361 108.800 0.034 0.000 2.556 637 G HA2 -0.410 3.544 3.960 -0.009 0.000 0.283 637 G HA3 -0.410 3.544 3.960 -0.009 0.000 0.283 637 G C 0.283 175.202 174.900 0.031 0.000 1.177 637 G CA 0.640 45.759 45.100 0.032 0.000 0.978 637 G HN 0.732 nan 8.290 nan 0.000 0.554 638 D N -0.116 120.303 120.400 0.032 0.000 2.388 638 D HA 0.340 4.974 4.640 -0.009 0.000 0.221 638 D C 1.837 178.143 176.300 0.010 0.000 1.133 638 D CA 0.191 54.212 54.000 0.035 0.000 0.831 638 D CB 0.139 40.976 40.800 0.061 0.000 0.962 638 D HN 0.569 nan 8.370 nan 0.000 0.502 639 R N -0.597 119.895 120.500 -0.012 0.000 2.240 639 R HA 0.285 4.619 4.340 -0.009 0.000 0.203 639 R C -0.218 176.044 176.300 -0.063 0.000 1.011 639 R CA 0.262 56.328 56.100 -0.056 0.000 1.007 639 R CB 0.222 30.468 30.300 -0.091 0.000 0.911 639 R HN 0.164 nan 8.270 nan 0.000 0.468 640 L N 0.727 121.930 121.223 -0.033 0.000 2.580 640 L HA 0.374 4.709 4.340 -0.009 0.000 0.266 640 L C -1.612 175.238 176.870 -0.034 0.000 0.955 640 L CA -0.508 54.309 54.840 -0.038 0.000 0.886 640 L CB 1.584 43.633 42.059 -0.017 0.000 1.263 640 L HN -0.129 nan 8.230 nan 0.000 0.406 641 R N 4.028 124.493 120.500 -0.057 0.000 2.686 641 R HA 0.787 5.122 4.340 -0.009 0.000 0.286 641 R C -1.487 174.758 176.300 -0.093 0.000 0.969 641 R CA -0.866 55.189 56.100 -0.075 0.000 0.898 641 R CB 2.416 32.672 30.300 -0.073 0.000 1.183 641 R HN 0.381 nan 8.270 nan 0.000 0.456 642 V N 4.632 124.486 119.914 -0.100 0.000 2.376 642 V HA 0.455 4.569 4.120 -0.009 0.000 0.287 642 V C -0.187 175.858 176.094 -0.081 0.000 1.015 642 V CA -0.625 61.617 62.300 -0.096 0.000 0.834 642 V CB 1.474 33.236 31.823 -0.102 0.000 1.001 642 V HN 0.579 nan 8.190 nan 0.000 0.428 643 I N 4.656 125.178 120.570 -0.080 0.000 2.509 643 I HA 0.474 4.639 4.170 -0.009 0.000 0.293 643 I C -0.838 175.264 176.117 -0.025 0.000 1.020 643 I CA -0.483 60.783 61.300 -0.057 0.000 1.088 643 I CB 2.121 40.062 38.000 -0.099 0.000 1.267 643 I HN 0.563 nan 8.210 nan 0.000 0.430 644 F N 7.518 127.397 119.950 -0.117 0.000 2.361 644 F HA 0.452 4.973 4.527 -0.009 0.000 0.364 644 F C -0.710 175.019 175.800 -0.120 0.000 1.120 644 F CA -0.782 57.150 58.000 -0.115 0.000 1.102 644 F CB 0.628 39.565 39.000 -0.106 0.000 1.183 644 F HN 0.119 nan 8.300 nan 0.000 0.476 645 L N 5.874 126.687 121.223 -0.683 0.000 2.485 645 L HA 0.118 4.452 4.340 -0.009 0.000 0.279 645 L C 0.448 176.996 176.870 -0.537 0.000 1.124 645 L CA 0.244 54.790 54.840 -0.490 0.000 0.888 645 L CB -0.301 41.567 42.059 -0.318 0.000 1.217 645 L HN 0.617 nan 8.230 nan 0.000 0.464 646 E N 3.216 123.221 120.200 -0.324 0.000 2.384 646 E HA -0.039 4.305 4.350 -0.009 0.000 0.266 646 E C 0.537 177.155 176.600 0.030 0.000 1.012 646 E CA -0.157 56.201 56.400 -0.071 0.000 0.901 646 E CB 0.279 29.939 29.700 -0.067 0.000 0.967 646 E HN 0.517 nan 8.360 nan 0.000 0.435 647 N N 2.625 121.416 118.700 0.152 0.000 2.725 647 N HA -0.284 4.450 4.740 -0.009 0.000 0.251 647 N C -1.506 174.087 175.510 0.139 0.000 1.031 647 N CA 0.501 53.650 53.050 0.163 0.000 0.720 647 N CB -1.456 37.152 38.487 0.201 0.000 0.930 647 N HN 0.449 nan 8.380 nan 0.000 0.543 648 Y N 1.512 121.801 120.300 -0.019 0.000 2.729 648 Y HA 0.107 4.651 4.550 -0.010 0.000 0.331 648 Y C 1.160 177.064 175.900 0.007 0.000 1.208 648 Y CA 0.545 58.624 58.100 -0.036 0.000 1.521 648 Y CB 0.247 38.656 38.460 -0.085 0.000 1.233 648 Y HN 0.362 nan 8.280 nan 0.000 0.539 649 R N 2.605 122.806 120.500 -0.499 0.000 2.781 649 R HA 0.504 4.838 4.340 -0.009 0.000 0.268 649 R C -0.209 175.749 176.300 -0.571 0.000 1.047 649 R CA -0.612 55.230 56.100 -0.431 0.000 0.925 649 R CB 0.355 30.589 30.300 -0.110 0.000 1.246 649 R HN 0.348 nan 8.270 nan 0.000 0.456 650 V N 1.111 120.717 119.914 -0.513 0.000 2.252 650 V HA -0.308 3.806 4.120 -0.009 0.000 0.249 650 V C 2.597 178.578 176.094 -0.188 0.000 1.056 650 V CA 2.917 64.996 62.300 -0.367 0.000 1.022 650 V CB -0.870 30.723 31.823 -0.383 0.000 0.641 650 V HN 0.948 nan 8.190 nan 0.000 0.445 651 S N 0.085 115.691 115.700 -0.157 0.000 2.399 651 S HA -0.181 4.284 4.470 -0.009 0.000 0.231 651 S C 1.905 176.462 174.600 -0.072 0.000 1.022 651 S CA 1.699 59.837 58.200 -0.103 0.000 0.983 651 S CB -0.529 62.637 63.200 -0.057 0.000 0.803 651 S HN 0.394 nan 8.310 nan 0.000 0.480 652 L N 1.802 122.982 121.223 -0.071 0.000 2.179 652 L HA 0.384 4.719 4.340 -0.009 0.000 0.208 652 L C 2.569 179.433 176.870 -0.011 0.000 1.096 652 L CA 1.251 56.084 54.840 -0.012 0.000 0.779 652 L CB -1.309 40.792 42.059 0.070 0.000 0.922 652 L HN 0.346 nan 8.230 nan 0.000 0.443 653 A N -0.744 122.045 122.820 -0.052 0.000 1.930 653 A HA -0.188 4.126 4.320 -0.009 0.000 0.217 653 A C 2.111 179.739 177.584 0.072 0.000 1.175 653 A CA 1.539 53.609 52.037 0.055 0.000 0.627 653 A CB -0.527 18.474 19.000 0.001 0.000 0.815 653 A HN 0.571 nan 8.150 nan 0.000 0.443 654 E N -0.384 119.859 120.200 0.071 0.000 2.338 654 E HA -0.148 4.196 4.350 -0.009 0.000 0.197 654 E C 1.802 178.370 176.600 -0.054 0.000 1.007 654 E CA 1.099 57.510 56.400 0.020 0.000 0.849 654 E CB -0.021 29.607 29.700 -0.119 0.000 0.774 654 E HN 0.616 nan 8.360 nan 0.000 0.506 655 K N -0.158 120.183 120.400 -0.098 0.000 2.141 655 K HA -0.018 4.297 4.320 -0.009 0.000 0.202 655 K C 2.149 178.530 176.600 -0.364 0.000 1.045 655 K CA 0.882 57.083 56.287 -0.144 0.000 0.971 655 K CB 0.360 32.779 32.500 -0.135 0.000 0.795 655 K HN -0.005 nan 8.250 nan 0.000 0.459 656 V N 0.591 120.202 119.914 -0.505 0.000 2.407 656 V HA -0.139 3.975 4.120 -0.009 0.000 0.245 656 V C 2.150 178.002 176.094 -0.404 0.000 1.041 656 V CA 1.195 63.026 62.300 -0.782 0.000 1.040 656 V CB -0.705 30.798 31.823 -0.534 0.000 0.671 656 V HN 0.173 nan 8.190 nan 0.000 0.455 657 I N 0.918 121.282 120.570 -0.343 0.000 2.163 657 I HA -0.143 4.021 4.170 -0.009 0.000 0.243 657 I C -0.083 175.899 176.117 -0.225 0.000 1.085 657 I CA 1.839 62.850 61.300 -0.482 0.000 1.347 657 I CB -1.491 36.103 38.000 -0.675 0.000 1.044 657 I HN 0.361 nan 8.210 nan 0.000 0.408 658 P HA -0.107 nan 4.420 nan 0.000 0.222 658 P C 0.832 178.124 177.300 -0.013 0.000 1.147 658 P CA 1.242 64.310 63.100 -0.053 0.000 0.790 658 P CB 0.026 31.705 31.700 -0.036 0.000 0.780 659 A N -1.373 121.425 122.820 -0.036 0.000 2.308 659 A HA 0.534 4.849 4.320 -0.009 0.000 0.217 659 A C 1.066 178.761 177.584 0.184 0.000 1.216 659 A CA -0.016 52.059 52.037 0.063 0.000 0.864 659 A CB -0.556 18.496 19.000 0.086 0.000 0.902 659 A HN 0.187 nan 8.150 nan 0.000 0.499 660 A N -0.246 122.677 122.820 0.171 0.000 2.327 660 A HA 0.522 4.836 4.320 -0.009 0.000 0.283 660 A C 0.286 178.022 177.584 0.253 0.000 1.127 660 A CA -0.277 51.926 52.037 0.276 0.000 0.810 660 A CB 0.439 19.710 19.000 0.451 0.000 1.066 660 A HN 0.245 nan 8.150 nan 0.000 0.492 661 D N 0.549 121.092 120.400 0.239 0.000 2.431 661 D HA 0.136 4.770 4.640 -0.009 0.000 0.235 661 D C 0.019 176.508 176.300 0.314 0.000 0.980 661 D CA 0.722 54.902 54.000 0.300 0.000 0.912 661 D CB 0.311 41.218 40.800 0.179 0.000 1.056 661 D HN 0.364 nan 8.370 nan 0.000 0.494 662 L N 1.081 122.379 121.223 0.125 0.000 2.356 662 L HA 0.305 4.640 4.340 -0.009 0.000 0.277 662 L C -0.730 176.006 176.870 -0.224 0.000 0.996 662 L CA -0.326 54.512 54.840 -0.004 0.000 0.822 662 L CB 2.116 44.147 42.059 -0.047 0.000 1.256 662 L HN -0.159 nan 8.230 nan 0.000 0.413 663 S N 4.046 119.533 115.700 -0.356 0.000 2.437 663 S HA 0.374 4.839 4.470 -0.009 0.000 0.305 663 S C -0.544 173.796 174.600 -0.434 0.000 1.109 663 S CA -0.676 57.078 58.200 -0.744 0.000 1.099 663 S CB 0.933 63.637 63.200 -0.826 0.000 1.004 663 S HN 0.560 nan 8.310 nan 0.000 0.475 664 E N 4.003 123.952 120.200 -0.417 0.000 2.055 664 E HA 0.235 4.579 4.350 -0.009 0.000 0.274 664 E C -0.646 175.852 176.600 -0.171 0.000 0.949 664 E CA -0.513 55.766 56.400 -0.203 0.000 0.775 664 E CB 1.189 30.796 29.700 -0.154 0.000 1.097 664 E HN 0.600 nan 8.360 nan 0.000 0.404 665 Q N 2.839 122.589 119.800 -0.083 0.000 2.965 665 Q HA 0.264 4.599 4.340 -0.009 0.000 0.288 665 Q C 0.649 176.631 176.000 -0.029 0.000 0.974 665 Q CA -0.144 55.620 55.803 -0.065 0.000 0.849 665 Q CB 0.228 28.942 28.738 -0.039 0.000 1.280 665 Q HN 0.614 nan 8.270 nan 0.000 0.441 666 I N -1.438 119.103 120.570 -0.047 0.000 3.626 666 I HA 0.273 4.437 4.170 -0.009 0.000 0.345 666 I C 0.298 176.355 176.117 -0.099 0.000 1.502 666 I CA -0.584 60.695 61.300 -0.035 0.000 1.135 666 I CB 0.119 38.101 38.000 -0.030 0.000 1.456 666 I HN -0.023 nan 8.210 nan 0.000 0.460 667 S N 0.421 116.058 115.700 -0.104 0.000 2.593 667 S HA 0.282 4.746 4.470 -0.009 0.000 0.269 667 S C 0.520 175.089 174.600 -0.052 0.000 1.334 667 S CA -0.378 57.771 58.200 -0.085 0.000 1.015 667 S CB 0.729 63.916 63.200 -0.022 0.000 0.912 667 S HN 0.401 nan 8.310 nan 0.000 0.541 668 T N 2.408 116.966 114.554 0.006 0.000 2.888 668 T HA 0.413 4.757 4.350 -0.009 0.000 0.301 668 T C 0.667 175.373 174.700 0.011 0.000 1.001 668 T CA 0.132 62.248 62.100 0.027 0.000 1.147 668 T CB 0.075 69.032 68.868 0.149 0.000 0.931 668 T HN 0.982 nan 8.240 nan 0.000 0.541 669 A N 2.787 125.583 122.820 -0.040 0.000 2.573 669 A HA 0.444 4.759 4.320 -0.009 0.000 0.250 669 A C 1.631 179.206 177.584 -0.014 0.000 1.049 669 A CA 0.339 52.349 52.037 -0.045 0.000 0.767 669 A CB -0.966 17.994 19.000 -0.067 0.000 0.965 669 A HN 1.652 nan 8.150 nan 0.000 0.514 670 G N 1.451 110.244 108.800 -0.013 0.000 2.179 670 G HA2 -0.230 3.724 3.960 -0.009 0.000 0.220 670 G HA3 -0.230 3.724 3.960 -0.009 0.000 0.220 670 G C 0.926 175.819 174.900 -0.012 0.000 0.990 670 G CA 1.014 46.109 45.100 -0.008 0.000 0.646 670 G HN 1.986 nan 8.290 nan 0.000 0.517 671 T N -2.272 112.277 114.554 -0.008 0.000 3.034 671 T HA 0.405 4.750 4.350 -0.009 0.000 0.248 671 T C 0.737 175.322 174.700 -0.191 0.000 1.040 671 T CA 1.145 63.191 62.100 -0.089 0.000 1.107 671 T CB 0.567 69.434 68.868 -0.001 0.000 0.932 671 T HN 0.276 nan 8.240 nan 0.000 0.474 672 E N 1.367 121.565 120.200 -0.003 0.000 2.089 672 E HA 0.674 5.018 4.350 -0.009 0.000 0.284 672 E C 1.144 177.697 176.600 -0.078 0.000 1.023 672 E CA 0.066 56.499 56.400 0.054 0.000 0.819 672 E CB 0.899 30.674 29.700 0.124 0.000 1.076 672 E HN 0.323 nan 8.360 nan 0.000 0.396 673 A N 3.489 126.186 122.820 -0.204 0.000 1.903 673 A HA -0.231 4.083 4.320 -0.009 0.000 0.219 673 A C 1.934 179.403 177.584 -0.191 0.000 1.191 673 A CA 2.401 54.182 52.037 -0.426 0.000 0.638 673 A CB -0.304 18.290 19.000 -0.675 0.000 0.823 673 A HN 0.632 nan 8.150 nan 0.000 0.451 674 S N -4.304 111.344 115.700 -0.085 0.000 4.428 674 S HA 0.447 4.911 4.470 -0.009 0.000 0.199 674 S C 0.646 175.239 174.600 -0.011 0.000 1.156 674 S CA 1.347 59.539 58.200 -0.014 0.000 1.134 674 S CB -0.177 63.042 63.200 0.031 0.000 1.531 674 S HN 2.355 nan 8.310 nan 0.000 0.551 675 G N 0.263 109.062 108.800 -0.002 0.000 2.705 675 G HA2 0.001 3.956 3.960 -0.009 0.000 0.686 675 G HA3 0.001 3.956 3.960 -0.009 0.000 0.686 675 G C 0.204 175.087 174.900 -0.028 0.000 1.285 675 G CA 0.453 45.547 45.100 -0.011 0.000 0.800 675 G HN 1.392 nan 8.290 nan 0.000 0.611 676 T N -1.875 112.648 114.554 -0.051 0.000 3.028 676 T HA 0.387 4.732 4.350 -0.009 0.000 0.262 676 T C 2.296 176.904 174.700 -0.154 0.000 0.916 676 T CA 1.189 63.233 62.100 -0.094 0.000 0.873 676 T CB 0.454 69.260 68.868 -0.104 0.000 1.232 676 T HN 1.834 nan 8.240 nan 0.000 0.529 677 G N 3.147 111.882 108.800 -0.107 0.000 2.422 677 G HA2 -0.233 3.722 3.960 -0.009 0.000 0.218 677 G HA3 -0.233 3.722 3.960 -0.009 0.000 0.218 677 G C 1.443 176.394 174.900 0.085 0.000 1.146 677 G CA 1.094 46.150 45.100 -0.074 0.000 0.769 677 G HN 0.805 nan 8.290 nan 0.000 0.547 678 N N 0.173 118.903 118.700 0.051 0.000 2.149 678 N HA -0.159 4.575 4.740 -0.009 0.000 0.188 678 N C 2.208 177.728 175.510 0.016 0.000 1.019 678 N CA 1.357 54.440 53.050 0.055 0.000 0.857 678 N CB -0.353 38.119 38.487 -0.025 0.000 0.997 678 N HN 0.340 nan 8.380 nan 0.000 0.426 679 M N 0.788 120.333 119.600 -0.091 0.000 2.132 679 M HA -0.026 4.448 4.480 -0.009 0.000 0.263 679 M C 2.078 178.336 176.300 -0.070 0.000 1.065 679 M CA 1.422 56.651 55.300 -0.119 0.000 1.122 679 M CB -0.103 32.428 32.600 -0.114 0.000 1.365 679 M HN 0.086 nan 8.290 nan 0.000 0.411 680 K N 0.087 120.380 120.400 -0.178 0.000 2.063 680 K HA -0.146 4.168 4.320 -0.009 0.000 0.208 680 K C 1.700 178.179 176.600 -0.202 0.000 1.048 680 K CA 1.523 57.635 56.287 -0.292 0.000 0.928 680 K CB -0.295 31.822 32.500 -0.638 0.000 0.713 680 K HN 0.163 nan 8.250 nan 0.000 0.442 681 F N 0.871 120.754 119.950 -0.112 0.000 2.186 681 F HA -0.105 4.416 4.527 -0.010 0.000 0.299 681 F C 2.530 178.302 175.800 -0.047 0.000 1.090 681 F CA 1.088 59.044 58.000 -0.073 0.000 1.307 681 F CB -0.269 38.678 39.000 -0.088 0.000 1.019 681 F HN 0.010 nan 8.300 nan 0.000 0.489 682 M N -0.361 119.320 119.600 0.134 0.000 2.117 682 M HA -0.186 4.288 4.480 -0.009 0.000 0.262 682 M C 2.039 178.388 176.300 0.082 0.000 1.065 682 M CA 1.613 56.962 55.300 0.081 0.000 1.114 682 M CB -0.211 32.431 32.600 0.069 0.000 1.361 682 M HN 0.281 nan 8.290 nan 0.000 0.408 683 L N 0.501 121.772 121.223 0.080 0.000 2.395 683 L HA -0.006 4.328 4.340 -0.009 0.000 0.218 683 L C 1.163 178.072 176.870 0.066 0.000 1.130 683 L CA 1.345 56.237 54.840 0.087 0.000 0.826 683 L CB -0.431 41.692 42.059 0.107 0.000 0.941 683 L HN 0.308 nan 8.230 nan 0.000 0.451 684 N N -0.027 118.703 118.700 0.050 0.000 2.214 684 N HA 0.190 4.925 4.740 -0.009 0.000 0.214 684 N C 0.827 176.367 175.510 0.050 0.000 1.132 684 N CA 0.775 53.847 53.050 0.037 0.000 0.856 684 N CB 0.670 39.155 38.487 -0.004 0.000 1.020 684 N HN 0.391 nan 8.380 nan 0.000 0.509 685 G N 0.470 109.306 108.800 0.059 0.000 2.142 685 G HA2 -0.184 3.770 3.960 -0.009 0.000 0.225 685 G HA3 -0.184 3.770 3.960 -0.009 0.000 0.225 685 G C -0.044 174.922 174.900 0.111 0.000 1.015 685 G CA 0.123 45.261 45.100 0.064 0.000 0.716 685 G HN 0.517 nan 8.290 nan 0.000 0.508 686 A N -0.537 122.356 122.820 0.122 0.000 2.340 686 A HA 0.896 5.211 4.320 -0.009 0.000 0.331 686 A C -0.209 177.380 177.584 0.009 0.000 1.140 686 A CA -0.669 51.458 52.037 0.150 0.000 0.801 686 A CB 1.464 20.621 19.000 0.260 0.000 1.234 686 A HN 0.785 nan 8.150 nan 0.000 0.469 687 L N 0.770 121.971 121.223 -0.038 0.000 2.379 687 L HA 0.559 4.893 4.340 -0.009 0.000 0.269 687 L C 0.504 177.254 176.870 -0.199 0.000 1.084 687 L CA 0.506 55.220 54.840 -0.210 0.000 0.802 687 L CB 1.644 43.477 42.059 -0.377 0.000 1.175 687 L HN 0.737 nan 8.230 nan 0.000 0.448 688 T N 4.135 118.461 114.554 -0.380 0.000 2.771 688 T HA 0.521 4.865 4.350 -0.009 0.000 0.281 688 T C -0.338 174.270 174.700 -0.154 0.000 0.982 688 T CA -0.165 61.704 62.100 -0.384 0.000 0.978 688 T CB 0.854 69.323 68.868 -0.664 0.000 0.930 688 T HN 0.445 nan 8.240 nan 0.000 0.447 689 I N 2.992 123.551 120.570 -0.018 0.000 2.362 689 I HA 0.731 4.895 4.170 -0.009 0.000 0.289 689 I C 0.089 176.367 176.117 0.269 0.000 0.994 689 I CA 0.071 61.475 61.300 0.173 0.000 1.158 689 I CB 0.357 38.383 38.000 0.044 0.000 1.315 689 I HN 0.786 nan 8.210 nan 0.000 0.451 690 G N 3.986 113.015 108.800 0.382 0.000 2.548 690 G HA2 0.475 4.429 3.960 -0.009 0.000 0.301 690 G HA3 0.475 4.429 3.960 -0.009 0.000 0.301 690 G C -0.996 173.817 174.900 -0.146 0.000 1.349 690 G CA -0.282 44.947 45.100 0.214 0.000 0.792 690 G HN 0.572 nan 8.290 nan 0.000 0.481 691 T N -1.777 112.583 114.554 -0.323 0.000 2.927 691 T HA 0.549 4.894 4.350 -0.009 0.000 0.281 691 T C 0.600 175.177 174.700 -0.204 0.000 0.998 691 T CA -0.741 61.090 62.100 -0.448 0.000 1.019 691 T CB 1.363 69.966 68.868 -0.441 0.000 1.061 691 T HN 0.255 nan 8.240 nan 0.000 0.518 692 M N 2.906 122.395 119.600 -0.185 0.000 3.436 692 M HA 0.329 4.803 4.480 -0.009 0.000 0.240 692 M C -0.472 175.768 176.300 -0.099 0.000 1.469 692 M CA -0.052 55.174 55.300 -0.124 0.000 1.622 692 M CB -1.851 30.685 32.600 -0.106 0.000 1.098 692 M HN 0.735 nan 8.290 nan 0.000 0.568 693 D N -0.200 120.147 120.400 -0.088 0.000 2.601 693 D HA 0.687 5.322 4.640 -0.009 0.000 0.230 693 D C 0.716 176.990 176.300 -0.043 0.000 1.106 693 D CA 0.671 54.636 54.000 -0.058 0.000 0.873 693 D CB 1.714 42.480 40.800 -0.056 0.000 1.515 693 D HN 0.580 nan 8.370 nan 0.000 0.468 694 G N 1.404 110.190 108.800 -0.023 0.000 2.602 694 G HA2 -0.247 3.708 3.960 -0.009 0.000 0.306 694 G HA3 -0.247 3.708 3.960 -0.009 0.000 0.306 694 G C 1.037 175.929 174.900 -0.013 0.000 1.301 694 G CA 1.050 46.143 45.100 -0.012 0.000 0.974 694 G HN 1.048 nan 8.290 nan 0.000 0.547 695 A N -0.442 122.368 122.820 -0.016 0.000 2.216 695 A HA 0.051 4.365 4.320 -0.009 0.000 0.214 695 A C 2.118 179.640 177.584 -0.104 0.000 1.160 695 A CA 1.932 53.956 52.037 -0.023 0.000 0.725 695 A CB -0.478 18.500 19.000 -0.037 0.000 0.784 695 A HN 0.628 nan 8.150 nan 0.000 0.472 696 N N 0.343 118.983 118.700 -0.100 0.000 2.149 696 N HA -0.143 4.591 4.740 -0.009 0.000 0.188 696 N C 1.544 176.907 175.510 -0.245 0.000 1.019 696 N CA 1.553 54.526 53.050 -0.129 0.000 0.857 696 N CB -0.515 37.943 38.487 -0.050 0.000 0.997 696 N HN 0.302 nan 8.380 nan 0.000 0.426 697 V N 1.105 120.927 119.914 -0.154 0.000 2.343 697 V HA -0.184 3.930 4.120 -0.009 0.000 0.247 697 V C 1.923 177.939 176.094 -0.130 0.000 1.051 697 V CA 1.581 63.790 62.300 -0.151 0.000 1.036 697 V CB -0.441 31.333 31.823 -0.081 0.000 0.654 697 V HN 0.339 nan 8.190 nan 0.000 0.451 698 E N -0.579 119.604 120.200 -0.029 0.000 2.208 698 E HA -0.126 4.219 4.350 -0.009 0.000 0.193 698 E C 2.199 178.919 176.600 0.201 0.000 0.988 698 E CA 1.026 57.491 56.400 0.108 0.000 0.828 698 E CB -0.143 29.710 29.700 0.255 0.000 0.763 698 E HN 0.550 nan 8.360 nan 0.000 0.478 699 M N 0.255 119.855 119.600 -0.000 0.000 2.123 699 M HA -0.077 4.397 4.480 -0.009 0.000 0.263 699 M C 2.475 178.583 176.300 -0.320 0.000 1.069 699 M CA 1.388 56.640 55.300 -0.079 0.000 1.133 699 M CB -0.099 32.333 32.600 -0.279 0.000 1.356 699 M HN 0.116 nan 8.290 nan 0.000 0.415 700 A N -0.012 122.284 122.820 -0.872 0.000 1.969 700 A HA -0.202 4.113 4.320 -0.009 0.000 0.218 700 A C 1.981 179.369 177.584 -0.325 0.000 1.169 700 A CA 1.863 53.323 52.037 -0.963 0.000 0.635 700 A CB -0.777 17.624 19.000 -0.999 0.000 0.810 700 A HN 0.604 nan 8.150 nan 0.000 0.445 701 E N -0.432 119.644 120.200 -0.207 0.000 2.150 701 E HA -0.187 4.157 4.350 -0.009 0.000 0.193 701 E C 1.608 178.186 176.600 -0.036 0.000 0.985 701 E CA 1.090 57.435 56.400 -0.093 0.000 0.814 701 E CB -0.054 29.610 29.700 -0.061 0.000 0.752 701 E HN 0.532 nan 8.360 nan 0.000 0.466 702 E N 0.108 120.315 120.200 0.011 0.000 2.112 702 E HA -0.059 4.285 4.350 -0.009 0.000 0.190 702 E C 1.763 178.399 176.600 0.062 0.000 0.979 702 E CA 1.052 57.485 56.400 0.055 0.000 0.814 702 E CB 0.035 29.823 29.700 0.148 0.000 0.762 702 E HN 0.360 nan 8.360 nan 0.000 0.460 703 A N 0.347 123.215 122.820 0.080 0.000 2.147 703 A HA 0.385 4.700 4.320 -0.009 0.000 0.211 703 A C 0.992 178.610 177.584 0.057 0.000 1.160 703 A CA 0.994 53.093 52.037 0.104 0.000 0.781 703 A CB 0.152 19.281 19.000 0.215 0.000 0.842 703 A HN 0.221 nan 8.150 nan 0.000 0.475 704 G N -0.579 108.230 108.800 0.015 0.000 3.067 704 G HA2 -0.084 3.870 3.960 -0.009 0.000 0.686 704 G HA3 -0.084 3.870 3.960 -0.009 0.000 0.686 704 G C -0.081 174.816 174.900 -0.005 0.000 1.119 704 G CA -0.028 45.068 45.100 -0.007 0.000 0.790 704 G HN 0.220 nan 8.290 nan 0.000 0.605 705 E N 0.675 120.854 120.200 -0.034 0.000 2.333 705 E HA -0.108 4.237 4.350 -0.009 0.000 0.198 705 E C 2.000 178.588 176.600 -0.020 0.000 1.007 705 E CA 1.610 57.994 56.400 -0.025 0.000 0.845 705 E CB 0.100 29.776 29.700 -0.040 0.000 0.766 705 E HN 0.758 nan 8.360 nan 0.000 0.507 706 E N 0.508 120.682 120.200 -0.043 0.000 2.274 706 E HA -0.069 4.275 4.350 -0.009 0.000 0.194 706 E C 0.923 177.427 176.600 -0.161 0.000 0.996 706 E CA 0.617 56.965 56.400 -0.086 0.000 0.840 706 E CB 0.077 29.741 29.700 -0.060 0.000 0.772 706 E HN 0.145 nan 8.360 nan 0.000 0.491 707 N N -0.289 118.347 118.700 -0.107 0.000 2.251 707 N HA 0.140 4.874 4.740 -0.009 0.000 0.217 707 N C -0.940 174.454 175.510 -0.194 0.000 1.124 707 N CA 0.083 53.032 53.050 -0.169 0.000 0.843 707 N CB 0.446 38.895 38.487 -0.062 0.000 1.024 707 N HN 0.047 nan 8.380 nan 0.000 0.501 708 F N -0.296 119.436 119.950 -0.364 0.000 2.563 708 F HA 0.407 4.928 4.527 -0.010 0.000 0.316 708 F C -0.677 174.899 175.800 -0.373 0.000 1.076 708 F CA -1.049 56.781 58.000 -0.284 0.000 0.921 708 F CB 1.386 40.310 39.000 -0.126 0.000 1.209 708 F HN -0.212 nan 8.300 nan 0.000 0.462 709 F N 5.276 125.251 119.950 0.042 0.000 2.395 709 F HA 0.413 4.934 4.527 -0.009 0.000 0.347 709 F C -0.376 175.565 175.800 0.235 0.000 1.157 709 F CA -0.487 57.570 58.000 0.094 0.000 1.272 709 F CB -0.089 38.913 39.000 0.003 0.000 1.607 709 F HN 0.061 nan 8.300 nan 0.000 0.571 710 I N 3.476 124.252 120.570 0.343 0.000 2.396 710 I HA 0.362 4.526 4.170 -0.009 0.000 0.292 710 I C -0.067 176.221 176.117 0.284 0.000 0.999 710 I CA -0.370 61.083 61.300 0.256 0.000 1.310 710 I CB 0.507 38.576 38.000 0.115 0.000 1.404 710 I HN 0.337 nan 8.210 nan 0.000 0.496 711 F N 3.370 123.386 119.950 0.109 0.000 2.754 711 F HA 0.941 5.462 4.527 -0.010 0.000 0.320 711 F C 0.255 176.094 175.800 0.065 0.000 1.156 711 F CA -0.624 57.430 58.000 0.091 0.000 0.950 711 F CB 0.618 39.687 39.000 0.115 0.000 1.388 711 F HN 0.831 nan 8.300 nan 0.000 0.485 712 G N 0.841 109.732 108.800 0.151 0.000 2.750 712 G HA2 -0.164 3.790 3.960 -0.009 0.000 0.228 712 G HA3 -0.164 3.790 3.960 -0.009 0.000 0.228 712 G C -0.747 174.128 174.900 -0.040 0.000 1.367 712 G CA -0.403 44.710 45.100 0.023 0.000 0.871 712 G HN 0.951 nan 8.290 nan 0.000 0.560 713 M N 0.632 120.214 119.600 -0.030 0.000 2.248 713 M HA 0.302 4.776 4.480 -0.009 0.000 0.337 713 M C 1.162 177.426 176.300 -0.061 0.000 1.121 713 M CA 0.038 55.325 55.300 -0.022 0.000 1.155 713 M CB 0.450 33.045 32.600 -0.009 0.000 1.514 713 M HN 0.554 nan 8.290 nan 0.000 0.452 714 R N 1.305 121.782 120.500 -0.037 0.000 2.606 714 R HA 0.350 4.685 4.340 -0.009 0.000 0.249 714 R C 1.142 177.421 176.300 -0.035 0.000 1.127 714 R CA -0.687 55.385 56.100 -0.047 0.000 1.133 714 R CB -0.077 30.203 30.300 -0.033 0.000 1.243 714 R HN 0.560 nan 8.270 nan 0.000 0.558 715 V N 1.934 121.827 119.914 -0.035 0.000 2.282 715 V HA -0.278 3.836 4.120 -0.009 0.000 0.249 715 V C 2.241 178.325 176.094 -0.018 0.000 1.057 715 V CA 2.268 64.552 62.300 -0.027 0.000 1.032 715 V CB -0.529 31.277 31.823 -0.027 0.000 0.645 715 V HN 0.685 nan 8.190 nan 0.000 0.447 716 E N 0.201 120.392 120.200 -0.015 0.000 2.085 716 E HA -0.269 4.075 4.350 -0.009 0.000 0.194 716 E C 1.742 178.344 176.600 0.005 0.000 0.994 716 E CA 1.746 58.142 56.400 -0.006 0.000 0.801 716 E CB -0.763 28.934 29.700 -0.004 0.000 0.743 716 E HN 0.647 nan 8.360 nan 0.000 0.453 717 D N 1.166 121.571 120.400 0.007 0.000 2.144 717 D HA -0.080 4.555 4.640 -0.009 0.000 0.200 717 D C 2.253 178.567 176.300 0.024 0.000 0.978 717 D CA 1.003 55.018 54.000 0.024 0.000 0.833 717 D CB 0.018 40.836 40.800 0.029 0.000 0.961 717 D HN 0.080 nan 8.370 nan 0.000 0.470 718 V N 1.937 121.853 119.914 0.003 0.000 2.295 718 V HA -0.210 3.904 4.120 -0.009 0.000 0.246 718 V C 2.011 178.105 176.094 -0.000 0.000 1.049 718 V CA 1.703 63.997 62.300 -0.009 0.000 1.024 718 V CB -0.388 31.421 31.823 -0.024 0.000 0.648 718 V HN 0.032 nan 8.190 nan 0.000 0.447 719 D N -0.352 120.048 120.400 0.001 0.000 2.117 719 D HA -0.146 4.488 4.640 -0.009 0.000 0.197 719 D C 2.355 178.666 176.300 0.019 0.000 0.987 719 D CA 1.130 55.133 54.000 0.004 0.000 0.829 719 D CB -0.236 40.563 40.800 -0.002 0.000 0.961 719 D HN 0.298 nan 8.370 nan 0.000 0.460 720 R N 0.205 120.721 120.500 0.026 0.000 2.083 720 R HA -0.047 4.288 4.340 -0.009 0.000 0.237 720 R C 2.477 178.810 176.300 0.056 0.000 1.137 720 R CA 0.655 56.778 56.100 0.038 0.000 0.951 720 R CB -0.381 29.944 30.300 0.041 0.000 0.851 720 R HN 0.173 nan 8.270 nan 0.000 0.434 721 L N 0.493 121.758 121.223 0.070 0.000 2.083 721 L HA -0.221 4.113 4.340 -0.009 0.000 0.209 721 L C 1.465 178.399 176.870 0.106 0.000 1.083 721 L CA 1.428 56.335 54.840 0.111 0.000 0.752 721 L CB -0.298 41.839 42.059 0.131 0.000 0.899 721 L HN 0.291 nan 8.230 nan 0.000 0.433 722 D N -0.865 119.573 120.400 0.063 0.000 2.144 722 D HA -0.163 4.471 4.640 -0.009 0.000 0.200 722 D C 2.289 178.620 176.300 0.051 0.000 0.978 722 D CA 0.786 54.818 54.000 0.054 0.000 0.833 722 D CB 0.055 40.867 40.800 0.019 0.000 0.961 722 D HN 0.361 nan 8.370 nan 0.000 0.470 723 Q N 0.517 120.343 119.800 0.043 0.000 2.020 723 Q HA -0.118 4.217 4.340 -0.009 0.000 0.202 723 Q C 2.278 178.305 176.000 0.045 0.000 0.982 723 Q CA 0.859 56.684 55.803 0.036 0.000 0.838 723 Q CB -0.407 28.349 28.738 0.030 0.000 0.899 723 Q HN 0.310 nan 8.270 nan 0.000 0.423 724 R N 0.159 120.693 120.500 0.057 0.000 2.080 724 R HA -0.059 4.275 4.340 -0.009 0.000 0.236 724 R C 0.230 176.572 176.300 0.070 0.000 1.137 724 R CA 1.298 57.435 56.100 0.062 0.000 0.943 724 R CB -0.131 30.215 30.300 0.077 0.000 0.846 724 R HN 0.409 nan 8.270 nan 0.000 0.431 725 G N -0.467 108.392 108.800 0.098 0.000 3.326 725 G HA2 -0.208 3.746 3.960 -0.009 0.000 0.681 725 G HA3 -0.208 3.746 3.960 -0.009 0.000 0.681 725 G C -1.456 173.547 174.900 0.172 0.000 1.255 725 G CA -0.509 44.658 45.100 0.110 0.000 0.976 725 G HN 0.294 nan 8.290 nan 0.000 0.563 726 Y N 3.868 124.206 120.300 0.062 0.000 2.393 726 Y HA 0.588 5.132 4.550 -0.009 0.000 0.338 726 Y C 0.283 176.245 175.900 0.102 0.000 1.029 726 Y CA -1.023 57.135 58.100 0.097 0.000 1.239 726 Y CB 0.982 39.482 38.460 0.067 0.000 1.170 726 Y HN 0.558 nan 8.280 nan 0.000 0.515 727 N N 5.215 123.707 118.700 -0.347 0.000 2.569 727 N HA 0.285 5.019 4.740 -0.009 0.000 0.254 727 N C 0.127 175.388 175.510 -0.415 0.000 1.004 727 N CA 0.307 53.154 53.050 -0.338 0.000 0.904 727 N CB 1.578 39.992 38.487 -0.122 0.000 1.165 727 N HN 0.886 nan 8.380 nan 0.000 0.513 728 A N 3.089 125.574 122.820 -0.558 0.000 1.972 728 A HA -0.212 4.103 4.320 -0.009 0.000 0.219 728 A C 1.936 179.654 177.584 0.223 0.000 1.169 728 A CA 1.393 53.365 52.037 -0.109 0.000 0.635 728 A CB -0.336 18.553 19.000 -0.185 0.000 0.810 728 A HN 0.760 nan 8.150 nan 0.000 0.446 729 Q N 0.139 119.960 119.800 0.035 0.000 2.152 729 Q HA -0.233 4.102 4.340 -0.009 0.000 0.206 729 Q C 1.888 177.950 176.000 0.104 0.000 0.985 729 Q CA 2.226 58.066 55.803 0.062 0.000 0.863 729 Q CB -0.325 28.405 28.738 -0.013 0.000 0.904 729 Q HN 0.767 nan 8.270 nan 0.000 0.422 730 E N -1.372 118.826 120.200 -0.003 0.000 2.058 730 E HA -0.229 4.115 4.350 -0.009 0.000 0.194 730 E C 1.547 178.058 176.600 -0.148 0.000 0.997 730 E CA 1.449 57.771 56.400 -0.129 0.000 0.801 730 E CB -0.150 29.369 29.700 -0.301 0.000 0.746 730 E HN 0.557 nan 8.360 nan 0.000 0.450 731 Y N -1.176 119.179 120.300 0.092 0.000 2.263 731 Y HA -0.204 4.340 4.550 -0.009 0.000 0.292 731 Y C 2.148 178.020 175.900 -0.046 0.000 1.130 731 Y CA 1.455 59.592 58.100 0.062 0.000 1.179 731 Y CB -0.655 37.897 38.460 0.154 0.000 0.998 731 Y HN 0.236 nan 8.280 nan 0.000 0.532 732 Y N 1.190 121.486 120.300 -0.007 0.000 2.181 732 Y HA -0.255 4.290 4.550 -0.009 0.000 0.288 732 Y C 1.859 177.707 175.900 -0.086 0.000 1.146 732 Y CA 1.799 59.817 58.100 -0.136 0.000 1.164 732 Y CB -0.346 38.079 38.460 -0.057 0.000 0.982 732 Y HN 0.068 nan 8.280 nan 0.000 0.515 733 D N -0.150 120.320 120.400 0.117 0.000 2.144 733 D HA -0.113 4.521 4.640 -0.009 0.000 0.200 733 D C 1.874 178.139 176.300 -0.058 0.000 0.978 733 D CA 1.289 55.309 54.000 0.033 0.000 0.833 733 D CB -0.121 40.719 40.800 0.066 0.000 0.961 733 D HN 0.496 nan 8.370 nan 0.000 0.470 734 R N 0.010 120.478 120.500 -0.054 0.000 2.300 734 R HA 0.232 4.566 4.340 -0.009 0.000 0.199 734 R C 0.382 176.657 176.300 -0.042 0.000 0.920 734 R CA 0.105 56.177 56.100 -0.047 0.000 1.046 734 R CB 0.736 31.012 30.300 -0.039 0.000 0.984 734 R HN 0.165 nan 8.270 nan 0.000 0.493 735 I N 2.289 122.811 120.570 -0.080 0.000 2.437 735 I HA 0.220 4.384 4.170 -0.009 0.000 0.279 735 I C -1.910 174.106 176.117 -0.169 0.000 1.028 735 I CA -2.437 58.821 61.300 -0.070 0.000 1.142 735 I CB 2.387 40.376 38.000 -0.018 0.000 1.266 735 I HN -0.264 nan 8.210 nan 0.000 0.461 736 P HA -0.129 nan 4.420 nan 0.000 0.217 736 P C 1.186 178.392 177.300 -0.157 0.000 1.150 736 P CA 1.240 64.245 63.100 -0.159 0.000 0.832 736 P CB 0.318 31.959 31.700 -0.099 0.000 0.787 737 E N -0.816 119.333 120.200 -0.085 0.000 2.077 737 E HA -0.172 4.173 4.350 -0.009 0.000 0.193 737 E C 1.867 178.386 176.600 -0.135 0.000 0.989 737 E CA 0.818 57.190 56.400 -0.048 0.000 0.800 737 E CB -0.619 29.125 29.700 0.073 0.000 0.746 737 E HN 0.114 nan 8.360 nan 0.000 0.452 738 L N 1.366 122.424 121.223 -0.275 0.000 2.027 738 L HA -0.142 4.193 4.340 -0.009 0.000 0.206 738 L C 2.386 178.984 176.870 -0.454 0.000 1.074 738 L CA 1.673 56.175 54.840 -0.564 0.000 0.745 738 L CB -0.409 41.169 42.059 -0.802 0.000 0.898 738 L HN -0.078 nan 8.230 nan 0.000 0.433 739 R N -0.748 119.449 120.500 -0.506 0.000 2.083 739 R HA -0.255 4.079 4.340 -0.009 0.000 0.237 739 R C 2.407 178.532 176.300 -0.292 0.000 1.137 739 R CA 2.073 57.777 56.100 -0.660 0.000 0.951 739 R CB -0.420 29.417 30.300 -0.772 0.000 0.851 739 R HN 0.640 nan 8.270 nan 0.000 0.434 740 Q N 0.397 120.068 119.800 -0.215 0.000 2.135 740 Q HA -0.189 4.145 4.340 -0.009 0.000 0.204 740 Q C 2.026 177.979 176.000 -0.077 0.000 0.981 740 Q CA 1.900 57.627 55.803 -0.127 0.000 0.856 740 Q CB -0.100 28.567 28.738 -0.118 0.000 0.902 740 Q HN 0.500 nan 8.270 nan 0.000 0.425 741 I N -0.001 120.524 120.570 -0.075 0.000 2.252 741 I HA -0.257 3.908 4.170 -0.009 0.000 0.245 741 I C 2.054 178.208 176.117 0.061 0.000 1.102 741 I CA 0.697 61.999 61.300 0.004 0.000 1.385 741 I CB -0.121 37.860 38.000 -0.030 0.000 1.064 741 I HN 0.219 nan 8.210 nan 0.000 0.414 742 I N 0.700 121.298 120.570 0.046 0.000 2.315 742 I HA -0.249 3.915 4.170 -0.009 0.000 0.248 742 I C 2.349 178.569 176.117 0.173 0.000 1.117 742 I CA 1.540 62.931 61.300 0.151 0.000 1.404 742 I CB -0.323 37.840 38.000 0.270 0.000 1.071 742 I HN 0.183 nan 8.210 nan 0.000 0.419 743 E N -0.355 119.929 120.200 0.141 0.000 2.285 743 E HA -0.207 4.138 4.350 -0.009 0.000 0.194 743 E C 2.057 178.726 176.600 0.114 0.000 0.997 743 E CA 0.532 57.008 56.400 0.127 0.000 0.845 743 E CB -0.063 29.691 29.700 0.090 0.000 0.782 743 E HN 0.580 nan 8.360 nan 0.000 0.491 744 Q N 0.484 120.347 119.800 0.105 0.000 2.083 744 Q HA -0.058 4.276 4.340 -0.009 0.000 0.198 744 Q C 2.239 178.429 176.000 0.316 0.000 0.969 744 Q CA 0.805 56.685 55.803 0.128 0.000 0.838 744 Q CB 0.149 28.919 28.738 0.054 0.000 0.900 744 Q HN 0.272 nan 8.270 nan 0.000 0.436 745 L N -0.484 120.938 121.223 0.332 0.000 2.093 745 L HA -0.145 4.189 4.340 -0.009 0.000 0.208 745 L C 2.406 179.467 176.870 0.319 0.000 1.085 745 L CA 0.766 55.827 54.840 0.368 0.000 0.755 745 L CB -0.274 41.917 42.059 0.221 0.000 0.904 745 L HN 0.128 nan 8.230 nan 0.000 0.435 746 S N -0.369 115.470 115.700 0.232 0.000 2.383 746 S HA -0.131 4.334 4.470 -0.009 0.000 0.227 746 S C 2.029 176.729 174.600 0.166 0.000 1.026 746 S CA 1.511 59.822 58.200 0.186 0.000 0.981 746 S CB -0.099 63.190 63.200 0.148 0.000 0.818 746 S HN 0.589 nan 8.310 nan 0.000 0.472 747 S N -0.046 115.754 115.700 0.168 0.000 2.593 747 S HA 0.366 4.831 4.470 -0.009 0.000 0.217 747 S C 1.339 176.028 174.600 0.148 0.000 0.966 747 S CA 0.682 58.965 58.200 0.139 0.000 0.914 747 S CB 0.211 63.482 63.200 0.118 0.000 0.776 747 S HN 0.723 nan 8.310 nan 0.000 0.523 748 G N 0.802 109.720 108.800 0.197 0.000 2.141 748 G HA2 -0.310 3.644 3.960 -0.009 0.000 0.231 748 G HA3 -0.310 3.644 3.960 -0.009 0.000 0.231 748 G C 0.251 175.239 174.900 0.147 0.000 0.984 748 G CA 0.134 45.336 45.100 0.170 0.000 0.660 748 G HN 0.562 nan 8.290 nan 0.000 0.525 749 F N 0.442 120.397 119.950 0.010 0.000 2.202 749 F HA 0.164 4.685 4.527 -0.010 0.000 0.301 749 F C 1.820 177.442 175.800 -0.298 0.000 1.082 749 F CA 2.020 59.912 58.000 -0.179 0.000 1.313 749 F CB -0.091 38.725 39.000 -0.307 0.000 1.024 749 F HN 0.162 nan 8.300 nan 0.000 0.495 750 F N -0.285 119.748 119.950 0.139 0.000 2.695 750 F HA 0.215 4.737 4.527 -0.009 0.000 0.303 750 F C 0.572 176.448 175.800 0.127 0.000 1.091 750 F CA 0.257 58.296 58.000 0.065 0.000 1.300 750 F CB -0.091 38.998 39.000 0.148 0.000 1.071 750 F HN -0.040 nan 8.300 nan 0.000 0.578 751 S N -1.613 114.215 115.700 0.215 0.000 2.488 751 S HA 0.310 4.774 4.470 -0.009 0.000 0.151 751 S C -2.489 172.123 174.600 0.021 0.000 1.401 751 S CA -1.049 57.206 58.200 0.092 0.000 1.221 751 S CB 1.103 64.301 63.200 -0.003 0.000 1.407 751 S HN -0.194 nan 8.310 nan 0.000 0.406 752 P HA -0.107 nan 4.420 nan 0.000 0.214 752 P C 1.201 178.493 177.300 -0.014 0.000 1.163 752 P CA 1.383 64.466 63.100 -0.028 0.000 0.883 752 P CB 0.086 31.750 31.700 -0.060 0.000 0.788 753 K N -0.894 119.497 120.400 -0.015 0.000 2.211 753 K HA -0.085 4.230 4.320 -0.009 0.000 0.203 753 K C 0.642 177.238 176.600 -0.007 0.000 1.050 753 K CA 1.014 57.295 56.287 -0.009 0.000 0.945 753 K CB -0.220 32.277 32.500 -0.006 0.000 0.732 753 K HN 0.336 nan 8.250 nan 0.000 0.451 754 Q N -0.228 119.563 119.800 -0.016 0.000 2.798 754 Q HA 0.154 4.488 4.340 -0.009 0.000 0.250 754 Q C -2.335 173.648 176.000 -0.029 0.000 1.006 754 Q CA -1.624 54.164 55.803 -0.024 0.000 0.759 754 Q CB 1.625 30.340 28.738 -0.038 0.000 1.201 754 Q HN -0.084 nan 8.270 nan 0.000 0.486 755 P HA -0.212 nan 4.420 nan 0.000 0.219 755 P C 0.554 177.883 177.300 0.047 0.000 1.146 755 P CA 1.336 64.458 63.100 0.037 0.000 0.808 755 P CB 0.242 31.967 31.700 0.042 0.000 0.779 756 D N -1.011 119.402 120.400 0.021 0.000 2.368 756 D HA -0.006 4.628 4.640 -0.009 0.000 0.218 756 D C 1.566 177.864 176.300 -0.003 0.000 1.112 756 D CA -0.250 53.771 54.000 0.036 0.000 0.834 756 D CB -0.410 40.414 40.800 0.039 0.000 0.953 756 D HN 0.022 nan 8.370 nan 0.000 0.505 757 L N 0.119 121.275 121.223 -0.111 0.000 2.043 757 L HA -0.077 4.258 4.340 -0.009 0.000 0.212 757 L C 0.848 177.533 176.870 -0.308 0.000 1.075 757 L CA 1.633 56.304 54.840 -0.282 0.000 0.752 757 L CB -0.602 41.110 42.059 -0.578 0.000 0.891 757 L HN -0.086 nan 8.230 nan 0.000 0.432 758 F N -0.088 119.922 119.950 0.100 0.000 2.819 758 F HA 0.207 4.729 4.527 -0.009 0.000 0.294 758 F C 1.729 177.585 175.800 0.094 0.000 1.166 758 F CA -0.141 57.909 58.000 0.084 0.000 1.374 758 F CB -0.802 38.236 39.000 0.064 0.000 0.956 758 F HN 0.179 nan 8.300 nan 0.000 0.509 759 K N -0.966 119.560 120.400 0.211 0.000 2.148 759 K HA -0.112 4.202 4.320 -0.009 0.000 0.204 759 K C 1.053 177.763 176.600 0.183 0.000 1.050 759 K CA 1.638 58.030 56.287 0.176 0.000 0.942 759 K CB -0.150 32.427 32.500 0.129 0.000 0.724 759 K HN -0.002 nan 8.250 nan 0.000 0.446 760 D N 1.307 121.830 120.400 0.206 0.000 2.144 760 D HA -0.078 4.557 4.640 -0.009 0.000 0.199 760 D C 1.982 178.401 176.300 0.197 0.000 0.984 760 D CA 1.073 55.205 54.000 0.221 0.000 0.834 760 D CB -0.077 40.893 40.800 0.284 0.000 0.955 760 D HN 0.293 nan 8.370 nan 0.000 0.465 761 I N 0.319 121.002 120.570 0.187 0.000 2.163 761 I HA -0.208 3.956 4.170 -0.009 0.000 0.240 761 I C 2.449 178.623 176.117 0.095 0.000 1.081 761 I CA 0.556 61.931 61.300 0.124 0.000 1.353 761 I CB -0.205 37.851 38.000 0.093 0.000 1.054 761 I HN -0.132 nan 8.210 nan 0.000 0.407 762 V N 1.014 121.001 119.914 0.122 0.000 2.295 762 V HA -0.334 3.780 4.120 -0.009 0.000 0.246 762 V C 2.164 178.277 176.094 0.031 0.000 1.049 762 V CA 2.532 64.889 62.300 0.094 0.000 1.024 762 V CB -1.050 30.849 31.823 0.126 0.000 0.648 762 V HN 0.500 nan 8.190 nan 0.000 0.447 763 N N -0.496 118.253 118.700 0.081 0.000 2.069 763 N HA -0.248 4.487 4.740 -0.009 0.000 0.191 763 N C 1.998 177.484 175.510 -0.040 0.000 1.031 763 N CA 1.870 54.978 53.050 0.097 0.000 0.852 763 N CB -0.171 38.439 38.487 0.204 0.000 1.018 763 N HN 0.381 nan 8.380 nan 0.000 0.423 764 M N 0.172 119.807 119.600 0.059 0.000 2.067 764 M HA -0.150 4.324 4.480 -0.009 0.000 0.260 764 M C 1.593 177.822 176.300 -0.117 0.000 1.069 764 M CA 1.395 56.742 55.300 0.079 0.000 1.117 764 M CB -0.446 32.266 32.600 0.186 0.000 1.334 764 M HN 0.244 nan 8.290 nan 0.000 0.407 765 L N 0.705 121.838 121.223 -0.149 0.000 2.127 765 L HA -0.213 4.121 4.340 -0.009 0.000 0.211 765 L C 2.370 178.924 176.870 -0.528 0.000 1.089 765 L CA 1.641 56.267 54.840 -0.357 0.000 0.757 765 L CB -0.994 40.898 42.059 -0.279 0.000 0.899 765 L HN 0.409 nan 8.230 nan 0.000 0.434 766 M N -2.341 117.000 119.600 -0.432 0.000 2.466 766 M HA -0.000 4.474 4.480 -0.009 0.000 0.265 766 M C 1.714 177.542 176.300 -0.787 0.000 1.122 766 M CA 1.113 56.061 55.300 -0.586 0.000 1.157 766 M CB -0.549 31.603 32.600 -0.746 0.000 1.352 766 M HN 0.313 nan 8.290 nan 0.000 0.464 767 H N -1.808 117.047 119.070 -0.359 0.000 2.927 767 H HA 0.221 4.771 4.556 -0.009 0.000 0.255 767 H C 0.125 175.204 175.328 -0.415 0.000 0.974 767 H CA 0.608 56.390 56.048 -0.443 0.000 1.199 767 H CB 0.285 29.714 29.762 -0.555 0.000 1.447 767 H HN 0.534 nan 8.280 nan 0.000 0.467 768 H N -0.280 118.844 119.070 0.090 0.000 2.779 768 H HA 0.199 4.749 4.556 -0.009 0.000 0.230 768 H C -0.774 174.572 175.328 0.030 0.000 1.365 768 H CA -0.467 55.622 56.048 0.068 0.000 1.086 768 H CB 0.544 30.351 29.762 0.075 0.000 2.038 768 H HN -0.071 nan 8.280 nan 0.000 0.558 769 D N 1.518 121.962 120.400 0.072 0.000 2.374 769 D HA 0.089 4.724 4.640 -0.009 0.000 0.240 769 D C 0.940 177.192 176.300 -0.080 0.000 1.229 769 D CA -0.145 53.868 54.000 0.022 0.000 0.895 769 D CB 0.599 41.398 40.800 -0.001 0.000 1.046 769 D HN 0.402 nan 8.370 nan 0.000 0.498 770 R N 2.281 122.624 120.500 -0.261 0.000 2.235 770 R HA -0.029 4.305 4.340 -0.009 0.000 0.213 770 R C 0.558 176.331 176.300 -0.878 0.000 1.059 770 R CA 0.781 56.509 56.100 -0.620 0.000 0.997 770 R CB 0.192 29.917 30.300 -0.959 0.000 0.884 770 R HN 0.386 nan 8.270 nan 0.000 0.462 771 F N 1.461 121.375 119.950 -0.060 0.000 2.708 771 F HA 0.203 4.724 4.527 -0.009 0.000 0.300 771 F C 0.003 175.680 175.800 -0.205 0.000 1.118 771 F CA -0.861 57.083 58.000 -0.093 0.000 1.307 771 F CB 0.109 39.108 39.000 -0.003 0.000 0.986 771 F HN -0.184 nan 8.300 nan 0.000 0.522 772 K N -0.772 119.427 120.400 -0.336 0.000 4.166 772 K HA -0.210 4.105 4.320 -0.009 0.000 0.276 772 K C 0.751 177.213 176.600 -0.229 0.000 0.808 772 K CA 0.248 56.157 56.287 -0.631 0.000 0.717 772 K CB -1.890 29.970 32.500 -1.067 0.000 1.774 772 K HN 0.294 nan 8.250 nan 0.000 0.427 773 V N 0.684 120.543 119.914 -0.092 0.000 2.287 773 V HA -0.268 3.847 4.120 -0.009 0.000 0.248 773 V C 2.113 178.322 176.094 0.192 0.000 1.053 773 V CA 2.047 64.368 62.300 0.034 0.000 1.027 773 V CB -0.588 31.250 31.823 0.026 0.000 0.646 773 V HN 0.519 nan 8.190 nan 0.000 0.447 774 F N 0.814 120.765 119.950 0.001 0.000 2.216 774 F HA -0.098 4.423 4.527 -0.010 0.000 0.300 774 F C 2.447 178.018 175.800 -0.382 0.000 1.085 774 F CA 0.815 58.757 58.000 -0.097 0.000 1.326 774 F CB -1.556 37.410 39.000 -0.056 0.000 1.027 774 F HN 0.169 nan 8.300 nan 0.000 0.497 775 A N -0.626 122.004 122.820 -0.317 0.000 2.070 775 A HA -0.151 4.163 4.320 -0.009 0.000 0.220 775 A C 1.728 179.292 177.584 -0.034 0.000 1.159 775 A CA 1.870 53.635 52.037 -0.452 0.000 0.656 775 A CB -0.490 18.386 19.000 -0.205 0.000 0.800 775 A HN 0.215 nan 8.150 nan 0.000 0.453 776 D N -2.922 117.526 120.400 0.080 0.000 2.407 776 D HA 0.080 4.714 4.640 -0.009 0.000 0.208 776 D C 1.227 177.693 176.300 0.278 0.000 1.083 776 D CA -0.011 54.114 54.000 0.210 0.000 0.844 776 D CB -0.151 40.784 40.800 0.225 0.000 0.967 776 D HN 0.507 nan 8.370 nan 0.000 0.506 777 Y N 2.389 122.770 120.300 0.136 0.000 2.040 777 Y HA -0.280 4.265 4.550 -0.009 0.000 0.275 777 Y C 2.043 178.025 175.900 0.136 0.000 1.171 777 Y CA 2.044 60.237 58.100 0.154 0.000 1.123 777 Y CB 0.010 38.536 38.460 0.109 0.000 0.963 777 Y HN -0.082 nan 8.280 nan 0.000 0.493 778 E N -0.171 120.115 120.200 0.144 0.000 2.070 778 E HA -0.282 4.062 4.350 -0.009 0.000 0.197 778 E C 2.231 178.803 176.600 -0.046 0.000 1.004 778 E CA 1.707 58.111 56.400 0.006 0.000 0.805 778 E CB -0.261 29.537 29.700 0.163 0.000 0.744 778 E HN 0.641 nan 8.360 nan 0.000 0.451 779 E N -0.415 119.831 120.200 0.077 0.000 2.204 779 E HA -0.178 4.166 4.350 -0.009 0.000 0.194 779 E C 1.853 178.443 176.600 -0.017 0.000 0.989 779 E CA 0.473 56.938 56.400 0.108 0.000 0.824 779 E CB -0.023 29.833 29.700 0.260 0.000 0.756 779 E HN 0.244 nan 8.360 nan 0.000 0.477 780 Y N 0.746 120.842 120.300 -0.340 0.000 2.163 780 Y HA -0.190 4.354 4.550 -0.010 0.000 0.288 780 Y C 2.166 177.661 175.900 -0.674 0.000 1.136 780 Y CA 1.481 59.047 58.100 -0.889 0.000 1.147 780 Y CB -0.545 37.453 38.460 -0.769 0.000 0.987 780 Y HN -0.031 nan 8.280 nan 0.000 0.509 781 V N -0.704 118.829 119.914 -0.635 0.000 2.548 781 V HA -0.122 3.992 4.120 -0.009 0.000 0.249 781 V C 2.195 178.056 176.094 -0.388 0.000 1.055 781 V CA 2.111 64.057 62.300 -0.589 0.000 1.065 781 V CB -0.619 30.931 31.823 -0.454 0.000 0.681 781 V HN 0.187 nan 8.190 nan 0.000 0.462 782 K N 0.033 120.267 120.400 -0.276 0.000 2.026 782 K HA -0.106 4.209 4.320 -0.009 0.000 0.208 782 K C 2.274 178.785 176.600 -0.148 0.000 1.048 782 K CA 2.033 58.230 56.287 -0.151 0.000 0.929 782 K CB -1.297 31.162 32.500 -0.068 0.000 0.713 782 K HN 0.659 nan 8.250 nan 0.000 0.439 783 C N 0.827 120.013 119.300 -0.189 0.000 2.440 783 C HA -0.061 4.393 4.460 -0.009 0.000 0.278 783 C C 2.397 177.228 174.990 -0.265 0.000 1.295 783 C CA 0.646 59.586 59.018 -0.129 0.000 1.738 783 C CB -0.687 27.005 27.740 -0.079 0.000 1.987 783 C HN 0.453 nan 8.230 nan 0.000 0.492 784 Q N 0.334 119.840 119.800 -0.489 0.000 2.224 784 Q HA -0.154 4.180 4.340 -0.009 0.000 0.203 784 Q C 1.958 177.778 176.000 -0.300 0.000 0.970 784 Q CA 1.439 56.916 55.803 -0.544 0.000 0.865 784 Q CB -0.323 27.867 28.738 -0.912 0.000 0.922 784 Q HN 0.754 nan 8.270 nan 0.000 0.445 785 E N 0.243 120.319 120.200 -0.206 0.000 2.106 785 E HA -0.127 4.217 4.350 -0.009 0.000 0.192 785 E C 2.033 178.598 176.600 -0.057 0.000 0.984 785 E CA 0.559 56.895 56.400 -0.107 0.000 0.806 785 E CB 0.068 29.721 29.700 -0.077 0.000 0.750 785 E HN 0.236 nan 8.360 nan 0.000 0.458 786 R N 0.356 120.832 120.500 -0.040 0.000 2.115 786 R HA -0.096 4.239 4.340 -0.009 0.000 0.230 786 R C 2.626 178.971 176.300 0.074 0.000 1.111 786 R CA 1.344 57.490 56.100 0.077 0.000 0.976 786 R CB -0.384 30.030 30.300 0.189 0.000 0.870 786 R HN 0.215 nan 8.270 nan 0.000 0.445 787 V N -1.794 117.981 119.914 -0.233 0.000 2.591 787 V HA -0.066 4.049 4.120 -0.009 0.000 0.249 787 V C 1.907 178.030 176.094 0.048 0.000 1.053 787 V CA 1.664 63.758 62.300 -0.343 0.000 1.068 787 V CB 0.143 31.502 31.823 -0.772 0.000 0.689 787 V HN 0.058 nan 8.190 nan 0.000 0.462 788 S N 0.871 116.543 115.700 -0.046 0.000 2.383 788 S HA 0.035 4.499 4.470 -0.009 0.000 0.227 788 S C 2.260 176.913 174.600 0.089 0.000 1.026 788 S CA 1.552 59.740 58.200 -0.018 0.000 0.981 788 S CB -0.532 62.628 63.200 -0.066 0.000 0.818 788 S HN 0.939 nan 8.310 nan 0.000 0.472 789 A N 1.213 124.095 122.820 0.104 0.000 1.902 789 A HA 0.007 4.321 4.320 -0.009 0.000 0.217 789 A C 2.058 179.758 177.584 0.193 0.000 1.181 789 A CA 1.046 53.163 52.037 0.133 0.000 0.623 789 A CB -0.623 18.448 19.000 0.119 0.000 0.818 789 A HN 0.474 nan 8.150 nan 0.000 0.443 790 L N -2.051 119.354 121.223 0.303 0.000 2.240 790 L HA -0.086 4.248 4.340 -0.009 0.000 0.211 790 L C 2.340 179.502 176.870 0.486 0.000 1.106 790 L CA 1.423 56.524 54.840 0.435 0.000 0.793 790 L CB -0.376 42.057 42.059 0.623 0.000 0.927 790 L HN 0.602 nan 8.230 nan 0.000 0.446 791 Y N 0.838 121.220 120.300 0.136 0.000 2.373 791 Y HA -0.212 4.333 4.550 -0.008 0.000 0.293 791 Y C 2.393 178.193 175.900 -0.167 0.000 1.129 791 Y CA 1.416 59.292 58.100 -0.373 0.000 1.226 791 Y CB 0.021 38.043 38.460 -0.729 0.000 1.000 791 Y HN 0.023 nan 8.280 nan 0.000 0.549 792 K N 0.092 120.516 120.400 0.039 0.000 2.442 792 K HA -0.113 4.202 4.320 -0.009 0.000 0.198 792 K C 0.285 176.866 176.600 -0.032 0.000 1.042 792 K CA 0.612 56.912 56.287 0.021 0.000 0.958 792 K CB -0.068 32.492 32.500 0.100 0.000 0.766 792 K HN 0.047 nan 8.250 nan 0.000 0.474 793 N N 0.300 118.996 118.700 -0.007 0.000 2.976 793 N HA 0.141 4.875 4.740 -0.009 0.000 0.255 793 N C -2.450 173.061 175.510 0.002 0.000 1.312 793 N CA -2.216 50.841 53.050 0.011 0.000 0.897 793 N CB 1.099 39.630 38.487 0.073 0.000 1.184 793 N HN -0.188 nan 8.380 nan 0.000 0.497 794 P HA -0.221 nan 4.420 nan 0.000 0.218 794 P C 1.375 178.685 177.300 0.017 0.000 1.154 794 P CA 1.289 64.315 63.100 -0.123 0.000 0.872 794 P CB 0.368 31.969 31.700 -0.165 0.000 0.790 795 R N -0.319 120.193 120.500 0.021 0.000 2.075 795 R HA -0.140 4.194 4.340 -0.009 0.000 0.232 795 R C 1.970 178.314 176.300 0.074 0.000 1.126 795 R CA 1.305 57.430 56.100 0.041 0.000 0.963 795 R CB -0.266 30.049 30.300 0.026 0.000 0.858 795 R HN 0.103 nan 8.270 nan 0.000 0.435 796 E N -0.233 120.023 120.200 0.094 0.000 2.158 796 E HA -0.200 4.145 4.350 -0.009 0.000 0.191 796 E C 1.559 178.244 176.600 0.142 0.000 0.982 796 E CA 0.541 57.001 56.400 0.101 0.000 0.823 796 E CB -0.373 29.385 29.700 0.098 0.000 0.766 796 E HN 0.500 nan 8.360 nan 0.000 0.468 797 W N 2.102 123.405 121.300 0.005 0.000 2.355 797 W HA -0.156 4.498 4.660 -0.011 0.000 0.309 797 W C 1.500 178.032 176.519 0.021 0.000 1.206 797 W CA 1.986 59.350 57.345 0.032 0.000 1.284 797 W CB -0.263 29.191 29.460 -0.010 0.000 1.145 797 W HN 0.027 nan 8.180 nan 0.000 0.502 798 T N 0.993 115.688 114.554 0.234 0.000 2.867 798 T HA -0.134 4.211 4.350 -0.009 0.000 0.268 798 T C 1.837 176.561 174.700 0.039 0.000 1.057 798 T CA 1.351 63.524 62.100 0.122 0.000 1.136 798 T CB -0.248 68.672 68.868 0.087 0.000 0.874 798 T HN 0.163 nan 8.240 nan 0.000 0.466 799 R N 0.408 120.933 120.500 0.043 0.000 2.092 799 R HA 0.146 4.480 4.340 -0.009 0.000 0.231 799 R C 2.461 178.758 176.300 -0.006 0.000 1.119 799 R CA 1.021 57.142 56.100 0.035 0.000 0.970 799 R CB -0.292 30.033 30.300 0.041 0.000 0.864 799 R HN 0.355 nan 8.270 nan 0.000 0.440 800 M N 0.425 119.986 119.600 -0.064 0.000 2.254 800 M HA -0.106 4.369 4.480 -0.009 0.000 0.265 800 M C 1.842 178.053 176.300 -0.149 0.000 1.066 800 M CA 1.172 56.393 55.300 -0.132 0.000 1.123 800 M CB 0.286 32.748 32.600 -0.230 0.000 1.388 800 M HN -0.025 nan 8.290 nan 0.000 0.425 801 V N 0.676 120.495 119.914 -0.158 0.000 2.358 801 V HA -0.279 3.835 4.120 -0.009 0.000 0.246 801 V C 2.132 178.210 176.094 -0.026 0.000 1.047 801 V CA 1.744 63.976 62.300 -0.113 0.000 1.035 801 V CB -0.494 31.294 31.823 -0.058 0.000 0.658 801 V HN 0.482 nan 8.190 nan 0.000 0.452 802 I N -0.559 120.018 120.570 0.012 0.000 2.361 802 I HA -0.236 3.929 4.170 -0.009 0.000 0.251 802 I C 2.633 178.796 176.117 0.076 0.000 1.133 802 I CA 1.309 62.658 61.300 0.082 0.000 1.413 802 I CB -0.254 37.839 38.000 0.154 0.000 1.073 802 I HN 0.168 nan 8.210 nan 0.000 0.424 803 R N 0.723 121.245 120.500 0.036 0.000 2.148 803 R HA -0.053 4.282 4.340 -0.009 0.000 0.223 803 R C 2.020 178.349 176.300 0.048 0.000 1.088 803 R CA 1.079 57.199 56.100 0.034 0.000 0.985 803 R CB -0.190 30.113 30.300 0.006 0.000 0.880 803 R HN 0.414 nan 8.270 nan 0.000 0.451 804 N N -0.265 118.455 118.700 0.032 0.000 2.148 804 N HA -0.065 4.669 4.740 -0.009 0.000 0.186 804 N C 1.761 177.324 175.510 0.088 0.000 1.031 804 N CA 1.335 54.423 53.050 0.064 0.000 0.848 804 N CB 0.006 38.496 38.487 0.004 0.000 1.005 804 N HN 0.126 nan 8.380 nan 0.000 0.427 805 I N 1.753 122.363 120.570 0.067 0.000 2.163 805 I HA -0.257 3.908 4.170 -0.009 0.000 0.243 805 I C 2.370 178.535 176.117 0.080 0.000 1.085 805 I CA 1.089 62.434 61.300 0.075 0.000 1.347 805 I CB -0.288 37.749 38.000 0.062 0.000 1.044 805 I HN 0.094 nan 8.210 nan 0.000 0.408 806 A N -1.211 121.657 122.820 0.080 0.000 2.121 806 A HA -0.168 4.147 4.320 -0.009 0.000 0.218 806 A C 2.189 179.813 177.584 0.065 0.000 1.154 806 A CA 2.024 54.101 52.037 0.068 0.000 0.679 806 A CB -0.548 18.497 19.000 0.076 0.000 0.795 806 A HN 0.394 nan 8.150 nan 0.000 0.458 807 T N -1.053 113.553 114.554 0.088 0.000 3.132 807 T HA 0.135 4.480 4.350 -0.009 0.000 0.274 807 T C 1.446 176.238 174.700 0.152 0.000 1.011 807 T CA 0.700 62.858 62.100 0.097 0.000 0.899 807 T CB -0.400 68.526 68.868 0.096 0.000 1.089 807 T HN 0.594 nan 8.240 nan 0.000 0.543 808 S N -0.880 114.926 115.700 0.177 0.000 2.593 808 S HA 0.193 4.657 4.470 -0.009 0.000 0.217 808 S C 2.286 177.015 174.600 0.216 0.000 0.966 808 S CA 0.534 58.908 58.200 0.291 0.000 0.914 808 S CB -0.271 63.077 63.200 0.246 0.000 0.776 808 S HN 0.424 nan 8.310 nan 0.000 0.523 809 G N 2.701 111.559 108.800 0.096 0.000 2.503 809 G HA2 -0.306 3.648 3.960 -0.009 0.000 0.221 809 G HA3 -0.306 3.648 3.960 -0.009 0.000 0.221 809 G C 1.348 176.220 174.900 -0.046 0.000 1.131 809 G CA 1.074 46.201 45.100 0.044 0.000 0.756 809 G HN 0.586 nan 8.290 nan 0.000 0.572 810 K N -0.202 120.067 120.400 -0.217 0.000 2.280 810 K HA -0.022 4.292 4.320 -0.009 0.000 0.202 810 K C 0.921 177.201 176.600 -0.532 0.000 1.047 810 K CA 0.514 56.533 56.287 -0.448 0.000 0.942 810 K CB -0.210 31.861 32.500 -0.715 0.000 0.739 810 K HN 0.365 nan 8.250 nan 0.000 0.457 811 F N 1.020 121.006 119.950 0.060 0.000 2.663 811 F HA 0.155 4.676 4.527 -0.010 0.000 0.299 811 F C 0.784 176.635 175.800 0.086 0.000 1.143 811 F CA -0.329 57.713 58.000 0.070 0.000 1.387 811 F CB 0.101 39.139 39.000 0.064 0.000 1.019 811 F HN -0.147 nan 8.300 nan 0.000 0.523 812 S N -0.086 115.704 115.700 0.150 0.000 2.562 812 S HA 0.176 4.640 4.470 -0.009 0.000 0.275 812 S C 1.351 176.042 174.600 0.152 0.000 1.281 812 S CA -0.234 58.052 58.200 0.145 0.000 1.045 812 S CB 0.938 64.194 63.200 0.092 0.000 0.962 812 S HN 0.290 nan 8.310 nan 0.000 0.503 813 S N 2.949 118.762 115.700 0.188 0.000 2.555 813 S HA -0.031 4.433 4.470 -0.009 0.000 0.230 813 S C 0.821 175.489 174.600 0.113 0.000 0.978 813 S CA 0.408 58.746 58.200 0.230 0.000 0.934 813 S CB -0.286 63.122 63.200 0.346 0.000 0.766 813 S HN 0.771 nan 8.310 nan 0.000 0.533 814 D N 1.894 122.340 120.400 0.078 0.000 2.149 814 D HA -0.037 4.597 4.640 -0.009 0.000 0.201 814 D C 2.100 178.412 176.300 0.020 0.000 0.972 814 D CA 0.641 54.663 54.000 0.036 0.000 0.835 814 D CB -0.258 40.560 40.800 0.030 0.000 0.966 814 D HN 0.277 nan 8.370 nan 0.000 0.476 815 R N 0.792 121.308 120.500 0.027 0.000 2.075 815 R HA -0.069 4.265 4.340 -0.009 0.000 0.232 815 R C 1.799 178.104 176.300 0.008 0.000 1.126 815 R CA 1.207 57.309 56.100 0.004 0.000 0.963 815 R CB -0.596 29.693 30.300 -0.018 0.000 0.858 815 R HN 0.097 nan 8.270 nan 0.000 0.435 816 T N 2.106 116.692 114.554 0.053 0.000 2.674 816 T HA -0.102 4.242 4.350 -0.009 0.000 0.265 816 T C 1.901 176.628 174.700 0.044 0.000 1.039 816 T CA 1.275 63.436 62.100 0.101 0.000 1.150 816 T CB -0.103 68.919 68.868 0.256 0.000 0.864 816 T HN 0.094 nan 8.240 nan 0.000 0.427 817 I N 1.721 122.227 120.570 -0.106 0.000 2.286 817 I HA -0.076 4.088 4.170 -0.009 0.000 0.248 817 I C 2.865 178.947 176.117 -0.059 0.000 1.115 817 I CA 0.818 62.009 61.300 -0.183 0.000 1.392 817 I CB -1.636 36.261 38.000 -0.172 0.000 1.065 817 I HN 0.188 nan 8.210 nan 0.000 0.418 818 A N -0.017 122.786 122.820 -0.028 0.000 1.933 818 A HA -0.219 4.095 4.320 -0.009 0.000 0.218 818 A C 2.265 179.819 177.584 -0.051 0.000 1.175 818 A CA 1.301 53.329 52.037 -0.016 0.000 0.628 818 A CB -0.508 18.486 19.000 -0.009 0.000 0.814 818 A HN 0.483 nan 8.150 nan 0.000 0.444 819 Q N -1.987 117.766 119.800 -0.078 0.000 2.123 819 Q HA -0.136 4.199 4.340 -0.009 0.000 0.199 819 Q C 1.857 177.705 176.000 -0.254 0.000 0.966 819 Q CA 1.449 57.167 55.803 -0.142 0.000 0.845 819 Q CB -0.223 28.423 28.738 -0.154 0.000 0.907 819 Q HN 0.828 nan 8.270 nan 0.000 0.439 820 Y N 0.309 120.335 120.300 -0.457 0.000 2.145 820 Y HA -0.249 4.295 4.550 -0.010 0.000 0.286 820 Y C 2.417 177.780 175.900 -0.896 0.000 1.145 820 Y CA 1.238 58.823 58.100 -0.858 0.000 1.148 820 Y CB -0.375 37.269 38.460 -1.360 0.000 0.981 820 Y HN 0.147 nan 8.280 nan 0.000 0.507 821 A N 0.399 123.019 122.820 -0.334 0.000 1.865 821 A HA -0.240 4.074 4.320 -0.009 0.000 0.217 821 A C 2.251 179.856 177.584 0.036 0.000 1.191 821 A CA 2.154 54.233 52.037 0.069 0.000 0.623 821 A CB -0.565 18.538 19.000 0.171 0.000 0.826 821 A HN 0.428 nan 8.150 nan 0.000 0.444 822 R N -0.676 119.805 120.500 -0.032 0.000 2.062 822 R HA -0.031 4.303 4.340 -0.009 0.000 0.226 822 R C 1.928 178.206 176.300 -0.036 0.000 1.125 822 R CA 1.455 57.545 56.100 -0.017 0.000 0.966 822 R CB -0.280 30.005 30.300 -0.024 0.000 0.861 822 R HN 0.653 nan 8.270 nan 0.000 0.433 823 E N -0.184 119.956 120.200 -0.101 0.000 2.442 823 E HA 0.054 4.399 4.350 -0.009 0.000 0.195 823 E C 1.480 178.028 176.600 -0.087 0.000 1.030 823 E CA 0.564 56.907 56.400 -0.095 0.000 0.869 823 E CB 0.433 30.051 29.700 -0.136 0.000 0.857 823 E HN 0.358 nan 8.360 nan 0.000 0.505 824 I N -1.401 119.084 120.570 -0.142 0.000 3.878 824 I HA 0.021 4.186 4.170 -0.009 0.000 0.273 824 I C 1.357 177.580 176.117 0.178 0.000 1.165 824 I CA -0.086 61.177 61.300 -0.062 0.000 1.360 824 I CB 0.087 37.897 38.000 -0.318 0.000 1.539 824 I HN 0.114 nan 8.210 nan 0.000 0.447 825 W N 1.821 123.209 121.300 0.148 0.000 2.584 825 W HA 0.265 4.919 4.660 -0.009 0.000 0.264 825 W C 1.508 178.066 176.519 0.065 0.000 1.264 825 W CA 1.002 58.418 57.345 0.118 0.000 1.306 825 W CB -1.072 28.444 29.460 0.094 0.000 1.110 825 W HN 0.356 nan 8.180 nan 0.000 0.606 826 G N 0.996 109.933 108.800 0.229 0.000 2.256 826 G HA2 -0.094 3.861 3.960 -0.009 0.000 0.272 826 G HA3 -0.094 3.861 3.960 -0.009 0.000 0.272 826 G C -0.329 174.647 174.900 0.127 0.000 1.076 826 G CA 0.201 45.382 45.100 0.135 0.000 0.882 826 G HN 0.413 nan 8.290 nan 0.000 0.497 827 V N -4.379 115.628 119.914 0.154 0.000 3.040 827 V HA 0.931 5.046 4.120 -0.009 0.000 0.312 827 V C -0.435 175.719 176.094 0.099 0.000 1.115 827 V CA -1.674 60.698 62.300 0.120 0.000 0.998 827 V CB 2.368 34.274 31.823 0.139 0.000 1.042 827 V HN 0.133 nan 8.190 nan 0.000 0.433 828 E N 3.304 123.546 120.200 0.070 0.000 2.151 828 E HA 0.551 4.895 4.350 -0.009 0.000 0.275 828 E C -2.561 174.072 176.600 0.056 0.000 0.936 828 E CA -1.794 54.639 56.400 0.056 0.000 0.777 828 E CB 2.007 31.732 29.700 0.042 0.000 1.108 828 E HN 0.751 nan 8.360 nan 0.000 0.401 829 P HA 0.091 nan 4.420 nan 0.000 0.272 829 P C -0.567 176.757 177.300 0.041 0.000 1.230 829 P CA -0.303 62.827 63.100 0.050 0.000 0.788 829 P CB 0.790 32.516 31.700 0.043 0.000 0.949 830 S N 0.923 116.647 115.700 0.040 0.000 2.649 830 S HA 0.302 4.767 4.470 -0.009 0.000 0.274 830 S C -0.002 174.618 174.600 0.033 0.000 1.176 830 S CA -0.879 57.343 58.200 0.037 0.000 0.988 830 S CB 0.994 64.219 63.200 0.043 0.000 1.071 830 S HN 0.285 nan 8.310 nan 0.000 0.478 831 R N 2.881 123.398 120.500 0.029 0.000 3.081 831 R HA 0.196 4.530 4.340 -0.009 0.000 0.280 831 R C -0.159 176.151 176.300 0.017 0.000 1.372 831 R CA -0.053 56.063 56.100 0.027 0.000 1.242 831 R CB 0.051 30.368 30.300 0.029 0.000 1.316 831 R HN 0.663 nan 8.270 nan 0.000 0.585 832 Q N 0.940 120.749 119.800 0.015 0.000 2.296 832 Q HA 0.203 4.538 4.340 -0.009 0.000 0.257 832 Q C -0.412 175.580 176.000 -0.014 0.000 0.942 832 Q CA -0.508 55.297 55.803 0.004 0.000 0.939 832 Q CB 1.408 30.153 28.738 0.012 0.000 1.198 832 Q HN -0.090 nan 8.270 nan 0.000 0.429 833 R N 1.813 122.299 120.500 -0.024 0.000 2.484 833 R HA 0.041 4.375 4.340 -0.009 0.000 0.293 833 R C -0.482 175.783 176.300 -0.057 0.000 1.023 833 R CA -0.147 55.927 56.100 -0.042 0.000 1.037 833 R CB 0.072 30.347 30.300 -0.043 0.000 0.951 833 R HN 0.418 nan 8.270 nan 0.000 0.418 834 L N 6.624 127.798 121.223 -0.082 0.000 2.461 834 L HA 0.174 4.508 4.340 -0.009 0.000 0.272 834 L C -1.652 175.163 176.870 -0.091 0.000 1.197 834 L CA -1.744 53.018 54.840 -0.130 0.000 0.836 834 L CB 0.396 42.353 42.059 -0.171 0.000 1.105 834 L HN 0.611 nan 8.230 nan 0.000 0.477 835 P HA 0.048 nan 4.420 nan 0.000 0.229 835 P C -0.017 177.262 177.300 -0.035 0.000 1.485 835 P CA 0.631 63.704 63.100 -0.045 0.000 1.217 835 P CB -0.631 31.054 31.700 -0.025 0.000 1.852 836 A N 4.963 127.763 122.820 -0.034 0.000 6.759 836 A HA -0.177 4.137 4.320 -0.009 0.000 0.308 836 A C -1.360 176.213 177.584 -0.018 0.000 2.086 836 A CA 0.486 52.508 52.037 -0.024 0.000 1.123 836 A CB -1.907 17.085 19.000 -0.013 0.000 1.078 836 A HN 0.378 nan 8.150 nan 0.000 0.457 837 P HA 0.176 nan 4.420 nan 0.000 0.244 837 P C 0.109 177.415 177.300 0.010 0.000 1.191 837 P CA 0.572 63.676 63.100 0.008 0.000 0.829 837 P CB -0.364 31.352 31.700 0.025 0.000 1.008 838 D N 1.829 122.234 120.400 0.008 0.000 5.561 838 D HA -0.191 4.443 4.640 -0.009 0.000 0.166 838 D C 1.459 177.762 176.300 0.005 0.000 1.127 838 D CA 0.767 54.771 54.000 0.007 0.000 0.720 838 D CB 0.173 40.976 40.800 0.004 0.000 1.322 838 D HN 0.091 nan 8.370 nan 0.000 0.745 839 E N 2.943 123.146 120.200 0.004 0.000 2.965 839 E HA -0.445 3.899 4.350 -0.009 0.000 0.215 839 E C 0.168 176.768 176.600 -0.000 0.000 0.862 839 E CA 2.759 59.159 56.400 -0.000 0.000 1.372 839 E CB -0.258 29.440 29.700 -0.003 0.000 1.425 839 E HN 0.894 nan 8.360 nan 0.000 0.458 840 K N -0.562 119.838 120.400 -0.000 0.000 7.396 840 K HA -0.164 4.151 4.320 -0.009 0.000 0.647 840 K C -0.625 175.973 176.600 -0.003 0.000 2.584 840 K CA 1.252 57.539 56.287 0.000 0.000 1.938 840 K CB -0.643 31.859 32.500 0.004 0.000 1.962 840 K HN 0.332 nan 8.250 nan 0.000 0.295 841 I N 3.390 123.957 120.570 -0.004 0.000 2.642 841 I HA 0.301 4.466 4.170 -0.009 0.000 0.273 841 I C -1.997 174.117 176.117 -0.007 0.000 1.208 841 I CA -1.563 59.732 61.300 -0.008 0.000 1.037 841 I CB 0.477 38.470 38.000 -0.012 0.000 1.253 841 I HN 0.943 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 842 P CB 0.000 31.702 31.700 0.004 0.000 0.726