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 1e3m_1_B DATA FIRST_RESID 15 DATA SEQUENCE QQYLRLKAQH PEILLFYRXG DFYELFYDDA KRASQLLDIS LTXXXXXXXX DATA SEQUENCE XXPXAGIPYH AVENYLAKLV NQGESVAICE XXXXXXXXXX XXXRKVVRIV DATA SEQUENCE TPGTISDEAL LQERQDNLLA AIWQDSKGFG YATLDISSGR FRLSEPADRE DATA SEQUENCE TXAAELQRTN PAELLYAEDF AEXSLIEGRR GLRRRPLWEF EIDTARQQLN DATA SEQUENCE LQFGTRDLVG FGVENAPRGL CAAGCLLQYA KDTQRTTLPH IRSITXEREQ DATA SEQUENCE DSIIXDAATR RNLEITQNLA GGAENTLASV LDCTVTPXGS RXLKRWLHXP DATA SEQUENCE VRDTRVLLER QQTIGALQDF TAGLQPVLRQ VGDLERILAR LALRTARPRD DATA SEQUENCE LARXRHAFQQ LPELRAQLET VDSAPVQALR EKXGEFAELR DLLERAIIDT DATA SEQUENCE PPVLVRDGGV IASGYNEELD EWRALADGAT DYLERLEVRE RERTGLDTLK DATA SEQUENCE VGFNAVHGYY IQISRGQSHL APINYXRRQT LKNAERYIIP ELKEYEDKVL DATA SEQUENCE TSKGKALALE KQLYEELFDL LLPHLEALQQ SASALAELDV LVNLAERAYT DATA SEQUENCE LNYTCPTFID KPGIRITEGR HPVVEQVLNE PFIANPLNLS PQRRXLIITG DATA SEQUENCE PNXGGKSTYX RQTALIALXA YIGSYVPAQK VEIGPIDRIF TRVGXXXXXX DATA SEQUENCE XXXXTFXVEX TETANILHNA TEYSLVLXDE IGRGTSTYDG LSLAWACAEN DATA SEQUENCE LANKIKALTL FATHYFELTQ LPEKXEGVAN VHLDALEHGD TIAFXHSVQD DATA SEQUENCE GAASKSYGLA VAALAGVPKE VIKRARQKLR ELESIS 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 15 Q HA 0.000 nan 4.340 nan 0.000 0.214 15 Q C 0.000 176.034 176.000 0.056 0.000 1.003 15 Q CA 0.000 55.827 55.803 0.039 0.000 1.022 15 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 16 Q N 0.146 120.004 119.800 0.096 0.000 2.049 16 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 16 Q C 1.892 177.977 176.000 0.143 0.000 0.971 16 Q CA 1.613 57.502 55.803 0.143 0.000 0.833 16 Q CB -0.018 28.854 28.738 0.223 0.000 0.896 16 Q HN 0.368 nan 8.270 nan 0.000 0.434 17 Y N 0.712 120.970 120.300 -0.069 0.000 2.145 17 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 17 Y C 1.694 177.549 175.900 -0.075 0.000 1.145 17 Y CA 1.690 59.620 58.100 -0.285 0.000 1.148 17 Y CB -0.206 37.916 38.460 -0.563 0.000 0.981 17 Y HN 0.102 nan 8.280 nan 0.000 0.507 18 L N 0.043 121.234 121.223 -0.053 0.000 2.083 18 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 18 L C 2.737 179.510 176.870 -0.162 0.000 1.083 18 L CA 1.575 56.330 54.840 -0.142 0.000 0.752 18 L CB -0.513 41.534 42.059 -0.020 0.000 0.899 18 L HN 0.159 nan 8.230 nan 0.000 0.433 19 R N 0.022 120.472 120.500 -0.084 0.000 2.193 19 R HA -0.077 4.263 4.340 -0.000 0.000 0.213 19 R C 2.138 178.397 176.300 -0.068 0.000 1.055 19 R CA 0.729 56.794 56.100 -0.059 0.000 0.995 19 R CB 0.121 30.412 30.300 -0.015 0.000 0.893 19 R HN 0.295 nan 8.270 nan 0.000 0.459 20 L N 0.242 121.419 121.223 -0.077 0.000 2.416 20 L HA 0.029 4.369 4.340 -0.000 0.000 0.216 20 L C 1.980 178.797 176.870 -0.089 0.000 1.098 20 L CA 0.605 55.425 54.840 -0.034 0.000 0.840 20 L CB 0.071 42.182 42.059 0.086 0.000 0.981 20 L HN -0.082 nan 8.230 nan 0.000 0.462 21 K N 0.619 120.871 120.400 -0.246 0.000 2.148 21 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 21 K C 1.843 178.367 176.600 -0.127 0.000 1.050 21 K CA 1.563 57.697 56.287 -0.255 0.000 0.942 21 K CB -0.248 31.947 32.500 -0.508 0.000 0.724 21 K HN 0.286 nan 8.250 nan 0.000 0.446 22 A N 0.531 123.273 122.820 -0.131 0.000 2.067 22 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 22 A C 1.809 179.317 177.584 -0.128 0.000 1.158 22 A CA 1.260 53.237 52.037 -0.101 0.000 0.661 22 A CB -0.404 18.544 19.000 -0.088 0.000 0.801 22 A HN 0.526 nan 8.150 nan 0.000 0.452 23 Q N -0.905 118.778 119.800 -0.195 0.000 2.378 23 Q HA -0.037 4.303 4.340 -0.000 0.000 0.205 23 Q C -0.323 175.284 176.000 -0.656 0.000 0.954 23 Q CA 0.703 56.272 55.803 -0.390 0.000 0.901 23 Q CB 0.131 28.611 28.738 -0.432 0.000 0.981 23 Q HN 0.766 nan 8.270 nan 0.000 0.483 24 H N -0.809 118.244 119.070 -0.029 0.000 2.600 24 H HA 0.140 4.696 4.556 -0.000 0.000 0.224 24 H C -2.002 173.316 175.328 -0.017 0.000 1.413 24 H CA -1.450 54.586 56.048 -0.020 0.000 1.401 24 H CB 1.072 30.823 29.762 -0.018 0.000 1.772 24 H HN 0.107 nan 8.280 nan 0.000 0.528 25 P HA -0.075 nan 4.420 nan 0.000 0.224 25 P C 1.038 178.372 177.300 0.057 0.000 1.157 25 P CA 0.809 63.932 63.100 0.039 0.000 0.799 25 P CB 0.494 32.201 31.700 0.012 0.000 0.809 26 E N -0.230 120.009 120.200 0.065 0.000 2.502 26 E HA 0.106 4.456 4.350 -0.000 0.000 0.194 26 E C 0.564 177.200 176.600 0.059 0.000 1.062 26 E CA 0.115 56.551 56.400 0.060 0.000 0.867 26 E CB -0.141 29.594 29.700 0.058 0.000 0.888 26 E HN 0.277 nan 8.360 nan 0.000 0.510 27 I N 1.440 122.049 120.570 0.064 0.000 2.647 27 I HA 0.225 4.395 4.170 -0.000 0.000 0.295 27 I C -0.227 175.909 176.117 0.033 0.000 1.078 27 I CA -1.216 60.103 61.300 0.031 0.000 1.048 27 I CB 2.460 40.458 38.000 -0.003 0.000 1.239 27 I HN -0.015 nan 8.210 nan 0.000 0.421 28 L N 5.133 126.363 121.223 0.012 0.000 2.525 28 L HA 0.075 4.415 4.340 -0.000 0.000 0.278 28 L C -0.515 176.369 176.870 0.022 0.000 1.218 28 L CA 0.133 55.000 54.840 0.045 0.000 0.878 28 L CB 0.301 42.380 42.059 0.032 0.000 1.127 28 L HN 0.356 nan 8.230 nan 0.000 0.492 29 L N 4.502 125.817 121.223 0.154 0.000 2.319 29 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 29 L C -0.801 176.321 176.870 0.419 0.000 1.005 29 L CA 0.012 54.972 54.840 0.201 0.000 0.828 29 L CB 0.818 43.004 42.059 0.212 0.000 1.227 29 L HN 0.144 nan 8.230 nan 0.000 0.415 30 F N 5.196 125.188 119.950 0.069 0.000 2.421 30 F HA 0.238 4.765 4.527 -0.000 0.000 0.358 30 F C -0.352 175.626 175.800 0.296 0.000 1.115 30 F CA -0.401 57.654 58.000 0.092 0.000 1.160 30 F CB 0.256 39.159 39.000 -0.162 0.000 1.123 30 F HN 0.394 nan 8.300 nan 0.000 0.508 31 Y N 4.501 124.997 120.300 0.326 0.000 2.369 31 Y HA 0.438 4.988 4.550 -0.000 0.000 0.337 31 Y C 0.576 176.649 175.900 0.289 0.000 0.961 31 Y CA -0.979 57.315 58.100 0.324 0.000 1.186 31 Y CB 0.272 38.915 38.460 0.306 0.000 1.139 31 Y HN 0.598 nan 8.280 nan 0.000 0.494 35 D N 0.744 120.937 120.400 -0.346 0.000 2.593 35 D HA 0.484 5.124 4.640 -0.000 0.000 0.241 35 D C -0.962 174.807 176.300 -0.885 0.000 1.257 35 D CA 0.085 53.706 54.000 -0.632 0.000 0.828 35 D CB 0.500 40.892 40.800 -0.680 0.000 1.049 35 D HN 0.078 nan 8.370 nan 0.000 0.490 36 F N -0.458 119.404 119.950 -0.147 0.000 2.643 36 F HA 0.420 4.947 4.527 -0.000 0.000 0.314 36 F C -0.596 175.020 175.800 -0.306 0.000 1.096 36 F CA -1.208 56.704 58.000 -0.148 0.000 0.953 36 F CB 1.137 40.084 39.000 -0.089 0.000 1.345 36 F HN -0.286 nan 8.300 nan 0.000 0.468 37 Y N 0.745 121.102 120.300 0.095 0.000 2.341 37 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 37 Y C -0.289 175.501 175.900 -0.183 0.000 1.014 37 Y CA -0.764 57.307 58.100 -0.048 0.000 1.111 37 Y CB 1.503 39.853 38.460 -0.184 0.000 1.194 37 Y HN 0.462 nan 8.280 nan 0.000 0.462 38 E N 2.889 123.067 120.200 -0.037 0.000 2.238 38 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 38 E C -1.535 174.726 176.600 -0.566 0.000 0.887 38 E CA -0.950 55.274 56.400 -0.294 0.000 0.769 38 E CB 2.105 31.665 29.700 -0.233 0.000 1.187 38 E HN 0.374 nan 8.360 nan 0.000 0.416 39 L N 2.157 123.036 121.223 -0.574 0.000 2.330 39 L HA 0.562 4.902 4.340 -0.000 0.000 0.271 39 L C -0.918 175.565 176.870 -0.644 0.000 1.013 39 L CA -0.397 54.150 54.840 -0.488 0.000 0.816 39 L CB 0.583 42.579 42.059 -0.106 0.000 1.287 39 L HN 0.432 nan 8.230 nan 0.000 0.435 40 F N 0.023 119.972 119.950 -0.002 0.000 2.611 40 F HA 0.674 5.201 4.527 -0.000 0.000 0.324 40 F C 0.081 176.002 175.800 0.201 0.000 1.061 40 F CA -1.252 56.709 58.000 -0.065 0.000 0.954 40 F CB 0.697 39.516 39.000 -0.302 0.000 1.301 40 F HN 0.368 nan 8.300 nan 0.000 0.482 41 Y N -0.492 119.927 120.300 0.198 0.000 2.857 41 Y HA -0.406 4.144 4.550 -0.000 0.000 0.463 41 Y C 1.860 177.828 175.900 0.114 0.000 1.175 41 Y CA 0.957 59.139 58.100 0.138 0.000 2.549 41 Y CB -1.288 37.268 38.460 0.159 0.000 1.208 41 Y HN 0.619 nan 8.280 nan 0.000 0.633 42 D N -0.055 120.534 120.400 0.316 0.000 2.158 42 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 42 D C 1.426 177.822 176.300 0.160 0.000 0.995 42 D CA 1.996 56.109 54.000 0.188 0.000 0.846 42 D CB -0.380 40.515 40.800 0.158 0.000 0.941 42 D HN 0.462 nan 8.370 nan 0.000 0.456 43 D N 0.444 120.962 120.400 0.197 0.000 2.144 43 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 43 D C 2.062 178.431 176.300 0.115 0.000 0.978 43 D CA 0.958 55.056 54.000 0.164 0.000 0.833 43 D CB -0.276 40.649 40.800 0.208 0.000 0.961 43 D HN 0.132 nan 8.370 nan 0.000 0.470 44 A N 1.013 123.893 122.820 0.099 0.000 1.972 44 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 44 A C 1.984 179.588 177.584 0.034 0.000 1.169 44 A CA 1.167 53.224 52.037 0.033 0.000 0.635 44 A CB -0.131 18.878 19.000 0.016 0.000 0.810 44 A HN 0.046 nan 8.150 nan 0.000 0.446 45 K N -0.446 119.988 120.400 0.058 0.000 1.975 45 K HA -0.092 4.228 4.320 -0.000 0.000 0.217 45 K C 2.040 178.670 176.600 0.051 0.000 1.037 45 K CA 1.093 57.409 56.287 0.049 0.000 0.971 45 K CB -0.760 31.776 32.500 0.060 0.000 0.749 45 K HN 0.407 nan 8.250 nan 0.000 0.444 46 R N 0.850 121.388 120.500 0.064 0.000 2.228 46 R HA -0.218 4.122 4.340 -0.000 0.000 0.259 46 R C 2.104 178.443 176.300 0.065 0.000 1.183 46 R CA 1.617 57.755 56.100 0.063 0.000 1.002 46 R CB -0.211 30.131 30.300 0.071 0.000 0.879 46 R HN 0.367 nan 8.270 nan 0.000 0.467 47 A N -0.074 122.787 122.820 0.068 0.000 1.874 47 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 47 A C 2.130 179.743 177.584 0.048 0.000 1.189 47 A CA 1.501 53.581 52.037 0.072 0.000 0.615 47 A CB -0.527 18.518 19.000 0.076 0.000 0.830 47 A HN 0.550 nan 8.150 nan 0.000 0.443 48 S N -0.446 115.270 115.700 0.026 0.000 2.383 48 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 48 S C 1.973 176.591 174.600 0.030 0.000 1.030 48 S CA 1.452 59.662 58.200 0.015 0.000 1.002 48 S CB -0.511 62.691 63.200 0.003 0.000 0.829 48 S HN 0.614 nan 8.310 nan 0.000 0.467 49 Q N 0.282 120.103 119.800 0.036 0.000 2.230 49 Q HA 0.127 4.467 4.340 -0.000 0.000 0.202 49 Q C 1.967 177.995 176.000 0.045 0.000 0.963 49 Q CA 0.896 56.722 55.803 0.038 0.000 0.866 49 Q CB -0.064 28.696 28.738 0.038 0.000 0.931 49 Q HN 0.624 nan 8.270 nan 0.000 0.452 50 L N -0.794 120.463 121.223 0.056 0.000 2.357 50 L HA 0.030 4.370 4.340 -0.000 0.000 0.211 50 L C 1.691 178.610 176.870 0.081 0.000 1.075 50 L CA 0.352 55.231 54.840 0.065 0.000 0.830 50 L CB 0.220 42.323 42.059 0.073 0.000 0.996 50 L HN 0.153 nan 8.230 nan 0.000 0.467 51 L N -1.387 119.895 121.223 0.098 0.000 2.664 51 L HA 0.161 4.501 4.340 -0.000 0.000 0.233 51 L C -0.033 176.910 176.870 0.122 0.000 1.113 51 L CA -0.181 54.746 54.840 0.145 0.000 0.896 51 L CB 0.151 42.337 42.059 0.211 0.000 1.163 51 L HN 0.112 nan 8.230 nan 0.000 0.497 52 D N 2.142 122.587 120.400 0.075 0.000 2.812 52 D HA -0.188 4.451 4.640 -0.000 0.000 0.237 52 D C -0.249 176.082 176.300 0.051 0.000 1.162 52 D CA 0.619 54.652 54.000 0.055 0.000 0.740 52 D CB -0.713 40.119 40.800 0.053 0.000 1.000 52 D HN 0.452 nan 8.370 nan 0.000 0.416 53 I N -2.760 117.823 120.570 0.022 0.000 2.982 53 I HA 0.603 4.773 4.170 -0.000 0.000 0.312 53 I C 1.005 177.107 176.117 -0.025 0.000 1.041 53 I CA -1.126 60.166 61.300 -0.015 0.000 1.053 53 I CB 1.641 39.593 38.000 -0.079 0.000 1.248 53 I HN -0.065 nan 8.210 nan 0.000 0.471 54 S N 1.638 117.313 115.700 -0.042 0.000 2.617 54 S HA 0.420 4.890 4.470 -0.000 0.000 0.255 54 S C -0.395 174.177 174.600 -0.047 0.000 1.318 54 S CA -0.358 57.818 58.200 -0.041 0.000 0.978 54 S CB 0.570 63.739 63.200 -0.051 0.000 0.961 54 S HN 0.471 nan 8.310 nan 0.000 0.582 55 L N 1.122 122.319 121.223 -0.042 0.000 2.441 55 L HA 0.443 4.782 4.340 -0.000 0.000 0.270 55 L C -0.238 176.603 176.870 -0.048 0.000 0.973 55 L CA 0.157 54.971 54.840 -0.043 0.000 0.842 55 L CB 1.485 43.528 42.059 -0.028 0.000 1.239 55 L HN 0.705 nan 8.230 nan 0.000 0.406 70 G N -0.365 108.295 108.800 -0.234 0.000 2.704 70 G HA2 0.830 4.790 3.960 -0.000 0.000 0.293 70 G HA3 0.830 4.790 3.960 -0.000 0.000 0.293 70 G C -1.031 173.714 174.900 -0.259 0.000 1.421 70 G CA 0.078 45.025 45.100 -0.254 0.000 0.870 70 G HN 2.002 nan 8.290 nan 0.000 0.492 71 I N -1.498 118.963 120.570 -0.182 0.000 2.686 71 I HA 0.675 4.845 4.170 -0.000 0.000 0.295 71 I C -2.750 173.458 176.117 0.152 0.000 1.114 71 I CA -2.976 58.197 61.300 -0.213 0.000 1.038 71 I CB 3.022 40.676 38.000 -0.577 0.000 1.238 71 I HN 0.255 nan 8.210 nan 0.000 0.420 72 P HA -0.058 nan 4.420 nan 0.000 0.268 72 P C -0.022 177.363 177.300 0.141 0.000 1.204 72 P CA 0.251 63.481 63.100 0.217 0.000 0.768 72 P CB 0.661 32.550 31.700 0.317 0.000 0.842 73 Y N 4.320 124.592 120.300 -0.047 0.000 2.151 73 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 73 Y C 2.541 178.503 175.900 0.103 0.000 1.166 73 Y CA 2.240 60.346 58.100 0.010 0.000 1.163 73 Y CB -0.714 37.667 38.460 -0.132 0.000 0.974 73 Y HN 0.521 nan 8.280 nan 0.000 0.511 74 H N -1.230 117.903 119.070 0.104 0.000 2.561 74 H HA 0.159 4.715 4.556 -0.000 0.000 0.278 74 H C 1.253 176.601 175.328 0.032 0.000 1.014 74 H CA 1.128 57.203 56.048 0.044 0.000 1.211 74 H CB -0.294 29.515 29.762 0.079 0.000 1.365 74 H HN 0.414 nan 8.280 nan 0.000 0.594 75 A N 0.853 123.408 122.820 -0.442 0.000 2.508 75 A HA 0.361 4.681 4.320 -0.000 0.000 0.257 75 A C 2.118 179.742 177.584 0.066 0.000 1.226 75 A CA 0.081 51.963 52.037 -0.259 0.000 0.947 75 A CB 0.017 18.882 19.000 -0.225 0.000 1.079 75 A HN 0.187 nan 8.150 nan 0.000 0.531 76 V N 0.410 120.351 119.914 0.044 0.000 2.392 76 V HA -0.224 3.895 4.120 -0.000 0.000 0.249 76 V C 2.460 178.616 176.094 0.102 0.000 1.059 76 V CA 2.185 64.567 62.300 0.136 0.000 1.051 76 V CB -0.535 31.349 31.823 0.101 0.000 0.658 76 V HN 0.492 nan 8.190 nan 0.000 0.455 77 E N 0.347 120.546 120.200 -0.001 0.000 2.077 77 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 77 E C 2.087 178.670 176.600 -0.028 0.000 0.989 77 E CA 1.469 57.854 56.400 -0.025 0.000 0.800 77 E CB -0.614 29.054 29.700 -0.053 0.000 0.746 77 E HN 0.690 nan 8.360 nan 0.000 0.452 78 N N -0.215 118.444 118.700 -0.069 0.000 2.104 78 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 78 N C 1.645 177.025 175.510 -0.215 0.000 1.024 78 N CA 1.187 54.127 53.050 -0.184 0.000 0.853 78 N CB -0.185 38.114 38.487 -0.314 0.000 1.008 78 N HN 0.131 nan 8.380 nan 0.000 0.424 79 Y N 0.176 120.481 120.300 0.007 0.000 2.373 79 Y HA 0.073 4.623 4.550 -0.000 0.000 0.293 79 Y C 1.939 177.886 175.900 0.078 0.000 1.129 79 Y CA 0.549 58.681 58.100 0.053 0.000 1.226 79 Y CB -0.129 38.376 38.460 0.074 0.000 1.000 79 Y HN 0.092 nan 8.280 nan 0.000 0.549 80 L N -0.914 120.415 121.223 0.176 0.000 2.046 80 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 80 L C 2.662 179.536 176.870 0.006 0.000 1.077 80 L CA 1.081 55.955 54.840 0.056 0.000 0.747 80 L CB -0.779 41.270 42.059 -0.017 0.000 0.896 80 L HN 0.240 nan 8.230 nan 0.000 0.432 81 A N 0.231 123.044 122.820 -0.011 0.000 1.940 81 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 81 A C 2.305 179.878 177.584 -0.018 0.000 1.176 81 A CA 1.806 53.825 52.037 -0.030 0.000 0.631 81 A CB -0.311 18.659 19.000 -0.051 0.000 0.814 81 A HN 0.341 nan 8.150 nan 0.000 0.446 82 K N -0.428 119.969 120.400 -0.006 0.000 2.062 82 K HA 0.069 4.389 4.320 -0.000 0.000 0.205 82 K C 1.878 178.499 176.600 0.036 0.000 1.051 82 K CA 1.178 57.471 56.287 0.011 0.000 0.941 82 K CB -0.327 32.184 32.500 0.019 0.000 0.719 82 K HN 0.433 nan 8.250 nan 0.000 0.440 83 L N 0.642 121.901 121.223 0.060 0.000 2.017 83 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 83 L C 2.343 179.219 176.870 0.010 0.000 1.073 83 L CA 0.980 55.849 54.840 0.049 0.000 0.745 83 L CB -0.473 41.619 42.059 0.056 0.000 0.894 83 L HN 0.012 nan 8.230 nan 0.000 0.432 84 V N 0.279 120.187 119.914 -0.010 0.000 2.407 84 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 84 V C 2.327 178.415 176.094 -0.009 0.000 1.055 84 V CA 1.851 64.139 62.300 -0.021 0.000 1.049 84 V CB -0.731 31.071 31.823 -0.035 0.000 0.662 84 V HN 0.571 nan 8.190 nan 0.000 0.455 85 N N 0.301 118.998 118.700 -0.005 0.000 2.289 85 N HA -0.175 4.565 4.740 -0.000 0.000 0.184 85 N C 1.587 177.101 175.510 0.006 0.000 1.016 85 N CA 1.165 54.214 53.050 -0.002 0.000 0.872 85 N CB 0.058 38.542 38.487 -0.005 0.000 0.973 85 N HN 0.616 nan 8.380 nan 0.000 0.433 86 Q N -0.917 118.890 119.800 0.012 0.000 2.220 86 Q HA 0.209 4.549 4.340 -0.000 0.000 0.205 86 Q C 0.474 176.485 176.000 0.018 0.000 0.865 86 Q CA 0.231 56.045 55.803 0.018 0.000 0.960 86 Q CB 0.670 29.425 28.738 0.028 0.000 1.097 86 Q HN 0.440 nan 8.270 nan 0.000 0.493 87 G N 1.048 109.856 108.800 0.012 0.000 2.141 87 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.242 87 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.242 87 G C -0.214 174.695 174.900 0.014 0.000 0.982 87 G CA -0.283 44.825 45.100 0.014 0.000 0.662 87 G HN 0.201 nan 8.290 nan 0.000 0.527 88 E N 1.044 121.249 120.200 0.008 0.000 2.227 88 E HA 0.522 4.872 4.350 -0.000 0.000 0.282 88 E C 0.281 176.863 176.600 -0.030 0.000 1.015 88 E CA -0.150 56.249 56.400 -0.001 0.000 0.823 88 E CB 1.458 31.161 29.700 0.006 0.000 1.081 88 E HN 0.224 nan 8.360 nan 0.000 0.396 89 S N 1.036 116.718 115.700 -0.031 0.000 2.592 89 S HA 0.424 4.893 4.470 -0.000 0.000 0.271 89 S C -0.040 174.479 174.600 -0.136 0.000 1.326 89 S CA -0.659 57.501 58.200 -0.066 0.000 1.024 89 S CB 0.963 64.144 63.200 -0.032 0.000 0.921 89 S HN 0.245 nan 8.310 nan 0.000 0.527 90 V N 1.290 121.071 119.914 -0.221 0.000 2.623 90 V HA 0.705 4.825 4.120 -0.000 0.000 0.304 90 V C -0.282 175.586 176.094 -0.376 0.000 1.054 90 V CA -0.914 61.158 62.300 -0.380 0.000 0.882 90 V CB 1.537 32.986 31.823 -0.623 0.000 1.002 90 V HN 0.965 nan 8.190 nan 0.000 0.424 91 A N 5.877 128.485 122.820 -0.353 0.000 2.304 91 A HA 0.875 5.195 4.320 -0.000 0.000 0.323 91 A C -0.657 176.778 177.584 -0.249 0.000 1.195 91 A CA -0.492 51.354 52.037 -0.318 0.000 0.826 91 A CB 0.559 19.328 19.000 -0.385 0.000 1.184 91 A HN 0.632 nan 8.150 nan 0.000 0.496 92 I N 2.137 122.586 120.570 -0.202 0.000 2.339 92 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 92 I C 0.040 176.177 176.117 0.033 0.000 0.994 92 I CA -0.535 60.702 61.300 -0.105 0.000 1.191 92 I CB 0.658 38.551 38.000 -0.179 0.000 1.343 92 I HN 0.649 nan 8.210 nan 0.000 0.458 93 C N 7.684 127.078 119.300 0.156 0.000 2.265 93 C HA 0.514 4.974 4.460 -0.000 0.000 0.332 93 C C 0.437 175.506 174.990 0.131 0.000 1.248 93 C CA -0.148 58.958 59.018 0.146 0.000 1.727 93 C CB -0.128 27.737 27.740 0.209 0.000 2.348 93 C HN 0.763 nan 8.230 nan 0.000 0.519 109 K N 1.015 121.457 120.400 0.070 0.000 2.740 109 K HA 0.099 4.419 4.320 -0.000 0.000 0.279 109 K C -1.449 175.206 176.600 0.090 0.000 1.038 109 K CA -0.589 55.751 56.287 0.089 0.000 0.887 109 K CB 1.933 34.472 32.500 0.065 0.000 1.411 109 K HN 0.319 nan 8.250 nan 0.000 0.381 110 V N 4.143 124.126 119.914 0.116 0.000 2.416 110 V HA -0.018 4.102 4.120 -0.000 0.000 0.267 110 V C 1.093 177.208 176.094 0.034 0.000 1.007 110 V CA 0.325 62.669 62.300 0.074 0.000 1.102 110 V CB 0.565 32.443 31.823 0.091 0.000 1.035 110 V HN 0.584 nan 8.190 nan 0.000 0.473 111 V N 5.949 125.874 119.914 0.018 0.000 3.471 111 V HA 0.332 4.452 4.120 -0.000 0.000 0.258 111 V C 0.847 176.927 176.094 -0.022 0.000 1.192 111 V CA 0.681 62.987 62.300 0.009 0.000 1.116 111 V CB 0.013 31.854 31.823 0.029 0.000 0.792 111 V HN 0.871 nan 8.190 nan 0.000 0.459 112 R N 0.109 120.576 120.500 -0.055 0.000 2.643 112 R HA 0.569 4.909 4.340 -0.000 0.000 0.269 112 R C -1.999 174.212 176.300 -0.148 0.000 1.037 112 R CA -0.669 55.378 56.100 -0.089 0.000 0.894 112 R CB 1.873 32.127 30.300 -0.076 0.000 1.238 112 R HN 0.252 nan 8.270 nan 0.000 0.459 113 I N 4.055 124.530 120.570 -0.157 0.000 2.686 113 I HA 0.399 4.568 4.170 -0.000 0.000 0.295 113 I C -0.663 175.351 176.117 -0.171 0.000 1.114 113 I CA -1.241 59.941 61.300 -0.196 0.000 1.038 113 I CB 2.398 40.274 38.000 -0.206 0.000 1.238 113 I HN 0.473 nan 8.210 nan 0.000 0.420 114 V N 1.412 121.216 119.914 -0.182 0.000 2.588 114 V HA 0.812 4.931 4.120 -0.000 0.000 0.304 114 V C -0.194 175.829 176.094 -0.120 0.000 1.042 114 V CA -0.338 61.876 62.300 -0.144 0.000 0.877 114 V CB 1.439 33.175 31.823 -0.144 0.000 0.996 114 V HN 0.867 nan 8.190 nan 0.000 0.425 115 T N 1.536 116.041 114.554 -0.081 0.000 2.918 115 T HA 0.668 5.018 4.350 -0.000 0.000 0.286 115 T C -2.029 172.663 174.700 -0.014 0.000 1.026 115 T CA -2.074 60.010 62.100 -0.027 0.000 1.031 115 T CB 2.083 70.972 68.868 0.035 0.000 1.046 115 T HN 0.453 nan 8.240 nan 0.000 0.479 116 P HA 0.069 nan 4.420 nan 0.000 0.218 116 P C 1.464 178.765 177.300 0.001 0.000 1.148 116 P CA 1.056 64.154 63.100 -0.004 0.000 0.822 116 P CB -0.167 31.535 31.700 0.003 0.000 0.784 117 G N -1.704 107.109 108.800 0.022 0.000 3.042 117 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.212 117 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.212 117 G C 0.862 175.765 174.900 0.005 0.000 1.166 117 G CA 0.715 45.823 45.100 0.014 0.000 0.767 117 G HN 0.373 nan 8.290 nan 0.000 0.546 118 T N -1.014 113.540 114.554 -0.001 0.000 3.200 118 T HA 0.406 4.756 4.350 -0.000 0.000 0.284 118 T C 0.810 175.482 174.700 -0.045 0.000 1.009 118 T CA -0.611 61.471 62.100 -0.029 0.000 0.907 118 T CB -0.435 68.403 68.868 -0.051 0.000 1.120 118 T HN 0.276 nan 8.240 nan 0.000 0.534 119 I N 0.179 120.724 120.570 -0.041 0.000 2.720 119 I HA 0.617 4.787 4.170 -0.000 0.000 0.287 119 I C 0.916 177.007 176.117 -0.044 0.000 1.090 119 I CA -0.642 60.629 61.300 -0.049 0.000 1.384 119 I CB 1.163 39.135 38.000 -0.047 0.000 1.420 119 I HN 0.148 nan 8.210 nan 0.000 0.575 120 S N 0.161 115.830 115.700 -0.051 0.000 2.744 120 S HA 0.194 4.664 4.470 -0.000 0.000 0.265 120 S C 0.008 174.578 174.600 -0.050 0.000 1.065 120 S CA -0.517 57.652 58.200 -0.051 0.000 1.191 120 S CB -0.178 62.981 63.200 -0.068 0.000 1.150 120 S HN 0.699 nan 8.310 nan 0.000 0.646 121 D N 2.957 123.328 120.400 -0.049 0.000 2.425 121 D HA 0.144 4.784 4.640 -0.000 0.000 0.247 121 D C 0.987 177.264 176.300 -0.038 0.000 1.147 121 D CA 0.159 54.134 54.000 -0.043 0.000 0.879 121 D CB 1.013 41.786 40.800 -0.045 0.000 1.179 121 D HN 0.380 nan 8.370 nan 0.000 0.456 122 E N 2.234 122.414 120.200 -0.033 0.000 2.118 122 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 122 E C 1.627 178.208 176.600 -0.033 0.000 0.992 122 E CA 0.976 57.357 56.400 -0.031 0.000 0.804 122 E CB 0.170 29.854 29.700 -0.027 0.000 0.741 122 E HN 0.536 nan 8.360 nan 0.000 0.458 123 A N 0.688 123.488 122.820 -0.035 0.000 1.972 123 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 123 A C 2.024 179.582 177.584 -0.042 0.000 1.169 123 A CA 1.024 53.038 52.037 -0.039 0.000 0.635 123 A CB -0.321 18.655 19.000 -0.041 0.000 0.810 123 A HN 0.300 nan 8.150 nan 0.000 0.446 124 L N -1.256 119.942 121.223 -0.042 0.000 2.585 124 L HA 0.277 4.617 4.340 -0.000 0.000 0.226 124 L C 0.248 177.096 176.870 -0.036 0.000 1.113 124 L CA -0.229 54.586 54.840 -0.042 0.000 0.876 124 L CB -0.180 41.852 42.059 -0.046 0.000 1.072 124 L HN 0.213 nan 8.230 nan 0.000 0.468 125 L N -0.319 120.884 121.223 -0.033 0.000 2.358 125 L HA 0.341 4.681 4.340 -0.000 0.000 0.268 125 L C -0.034 176.820 176.870 -0.026 0.000 1.032 125 L CA -0.435 54.389 54.840 -0.028 0.000 0.805 125 L CB 1.363 43.406 42.059 -0.027 0.000 1.253 125 L HN 0.031 nan 8.230 nan 0.000 0.452 126 Q N 0.730 120.517 119.800 -0.021 0.000 2.314 126 Q HA 0.103 4.443 4.340 -0.000 0.000 0.259 126 Q C 0.351 176.341 176.000 -0.017 0.000 0.951 126 Q CA -0.258 55.533 55.803 -0.019 0.000 0.909 126 Q CB 2.113 30.842 28.738 -0.015 0.000 1.236 126 Q HN 0.559 nan 8.270 nan 0.000 0.444 127 E N 3.199 123.389 120.200 -0.018 0.000 2.114 127 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 127 E C 0.756 177.347 176.600 -0.016 0.000 1.008 127 E CA 1.564 57.953 56.400 -0.018 0.000 0.810 127 E CB 0.324 30.013 29.700 -0.019 0.000 0.739 127 E HN 0.423 nan 8.360 nan 0.000 0.456 128 R N -0.373 120.120 120.500 -0.013 0.000 2.468 128 R HA 0.233 4.573 4.340 -0.000 0.000 0.280 128 R C -0.106 176.192 176.300 -0.004 0.000 0.963 128 R CA -0.112 55.982 56.100 -0.011 0.000 1.083 128 R CB 0.691 30.986 30.300 -0.009 0.000 1.200 128 R HN 0.142 nan 8.270 nan 0.000 0.541 129 Q N 0.410 120.207 119.800 -0.005 0.000 2.353 129 Q HA 0.186 4.526 4.340 -0.000 0.000 0.268 129 Q C -1.284 174.715 176.000 -0.002 0.000 1.045 129 Q CA -0.823 54.980 55.803 -0.000 0.000 0.811 129 Q CB 2.254 30.991 28.738 -0.001 0.000 1.305 129 Q HN -0.002 nan 8.270 nan 0.000 0.447 130 D N 1.829 122.230 120.400 0.002 0.000 2.372 130 D HA 0.078 4.718 4.640 -0.000 0.000 0.243 130 D C -0.583 175.715 176.300 -0.003 0.000 1.121 130 D CA 0.420 54.422 54.000 0.002 0.000 0.898 130 D CB 0.675 41.481 40.800 0.010 0.000 1.202 130 D HN 0.372 nan 8.370 nan 0.000 0.428 131 N N 2.629 121.326 118.700 -0.004 0.000 2.491 131 N HA 0.267 5.007 4.740 -0.000 0.000 0.274 131 N C -1.377 174.128 175.510 -0.009 0.000 1.023 131 N CA -0.391 52.655 53.050 -0.008 0.000 0.902 131 N CB 0.852 39.333 38.487 -0.011 0.000 1.267 131 N HN 0.237 nan 8.380 nan 0.000 0.503 132 L N 2.688 123.906 121.223 -0.008 0.000 2.346 132 L HA 0.537 4.877 4.340 -0.000 0.000 0.274 132 L C -0.370 176.486 176.870 -0.022 0.000 1.007 132 L CA -1.080 53.751 54.840 -0.015 0.000 0.818 132 L CB 1.965 44.021 42.059 -0.004 0.000 1.284 132 L HN 0.356 nan 8.230 nan 0.000 0.424 133 L N 2.614 123.811 121.223 -0.044 0.000 2.307 133 L HA 0.860 5.200 4.340 -0.000 0.000 0.282 133 L C -0.251 176.568 176.870 -0.085 0.000 1.051 133 L CA 0.211 55.019 54.840 -0.053 0.000 0.804 133 L CB 1.323 43.353 42.059 -0.049 0.000 1.197 133 L HN 0.751 nan 8.230 nan 0.000 0.431 134 A N 3.826 126.593 122.820 -0.088 0.000 2.527 134 A HA 1.003 5.323 4.320 -0.000 0.000 0.293 134 A C -1.396 176.122 177.584 -0.110 0.000 1.117 134 A CA -0.192 51.757 52.037 -0.147 0.000 0.723 134 A CB 1.612 20.534 19.000 -0.130 0.000 1.313 134 A HN 1.259 nan 8.150 nan 0.000 0.411 135 A N 0.482 123.226 122.820 -0.126 0.000 2.427 135 A HA 0.729 5.049 4.320 -0.000 0.000 0.298 135 A C -1.105 176.598 177.584 0.199 0.000 1.036 135 A CA -0.251 51.810 52.037 0.039 0.000 0.701 135 A CB 0.909 19.919 19.000 0.017 0.000 1.250 135 A HN 1.292 nan 8.150 nan 0.000 0.412 136 I N 3.327 124.078 120.570 0.302 0.000 2.608 136 I HA 0.825 4.995 4.170 -0.000 0.000 0.295 136 I C -1.644 174.643 176.117 0.283 0.000 1.049 136 I CA -0.603 60.927 61.300 0.383 0.000 1.063 136 I CB 1.753 39.889 38.000 0.227 0.000 1.248 136 I HN 0.918 nan 8.210 nan 0.000 0.424 137 W N 7.219 128.587 121.300 0.113 0.000 3.146 137 W HA 0.420 5.080 4.660 -0.000 0.000 0.319 137 W C -2.529 174.158 176.519 0.280 0.000 1.258 137 W CA -0.902 56.450 57.345 0.012 0.000 1.189 137 W CB 1.193 30.416 29.460 -0.395 0.000 1.412 137 W HN 0.633 nan 8.180 nan 0.000 0.567 138 Q N 2.971 122.665 119.800 -0.178 0.000 2.333 138 Q HA 0.316 4.656 4.340 -0.000 0.000 0.268 138 Q C -1.173 174.232 176.000 -0.992 0.000 1.007 138 Q CA -0.293 55.153 55.803 -0.595 0.000 0.810 138 Q CB 2.098 30.569 28.738 -0.446 0.000 1.264 138 Q HN 0.430 nan 8.270 nan 0.000 0.452 139 D N 0.305 120.072 120.400 -1.055 0.000 2.506 139 D HA 0.189 4.829 4.640 -0.000 0.000 0.272 139 D C 0.991 176.995 176.300 -0.494 0.000 1.214 139 D CA 0.214 53.737 54.000 -0.796 0.000 1.067 139 D CB 1.231 41.688 40.800 -0.572 0.000 1.117 139 D HN 0.559 nan 8.370 nan 0.000 0.578 140 S N -0.251 115.259 115.700 -0.316 0.000 2.357 140 S HA -0.108 4.362 4.470 -0.000 0.000 0.221 140 S C 1.500 175.962 174.600 -0.230 0.000 1.031 140 S CA 0.757 58.814 58.200 -0.237 0.000 0.982 140 S CB -0.315 62.797 63.200 -0.146 0.000 0.853 140 S HN 0.398 nan 8.310 nan 0.000 0.458 141 K N 1.635 121.920 120.400 -0.191 0.000 2.362 141 K HA 0.305 4.625 4.320 -0.000 0.000 0.200 141 K C 1.171 177.663 176.600 -0.180 0.000 1.046 141 K CA 0.590 56.789 56.287 -0.146 0.000 0.952 141 K CB -0.216 32.233 32.500 -0.084 0.000 0.753 141 K HN 0.578 nan 8.250 nan 0.000 0.466 142 G N -0.260 108.360 108.800 -0.299 0.000 2.367 142 G HA2 0.183 4.143 3.960 -0.000 0.000 0.272 142 G HA3 0.183 4.143 3.960 -0.000 0.000 0.272 142 G C -1.720 172.880 174.900 -0.501 0.000 1.271 142 G CA -1.109 43.781 45.100 -0.350 0.000 0.893 142 G HN -0.020 nan 8.290 nan 0.000 0.485 143 F N 0.752 120.649 119.950 -0.089 0.000 2.399 143 F HA 0.686 5.213 4.527 -0.000 0.000 0.328 143 F C 1.027 176.858 175.800 0.052 0.000 1.084 143 F CA 0.323 58.293 58.000 -0.050 0.000 1.053 143 F CB 2.237 41.248 39.000 0.018 0.000 1.209 143 F HN 0.667 nan 8.300 nan 0.000 0.502 144 G N 1.072 110.097 108.800 0.375 0.000 2.513 144 G HA2 0.535 4.495 3.960 -0.000 0.000 0.317 144 G HA3 0.535 4.495 3.960 -0.000 0.000 0.317 144 G C -2.538 172.727 174.900 0.608 0.000 1.277 144 G CA -0.518 44.907 45.100 0.543 0.000 0.955 144 G HN 0.508 nan 8.290 nan 0.000 0.484 145 Y N 0.801 121.270 120.300 0.283 0.000 2.513 145 Y HA 0.697 5.247 4.550 -0.000 0.000 0.340 145 Y C -0.655 175.338 175.900 0.155 0.000 1.055 145 Y CA -0.837 57.386 58.100 0.206 0.000 1.020 145 Y CB 2.253 40.795 38.460 0.137 0.000 1.301 145 Y HN 0.970 nan 8.280 nan 0.000 0.453 146 A N 2.720 125.300 122.820 -0.401 0.000 2.549 146 A HA 0.800 5.120 4.320 -0.000 0.000 0.297 146 A C -1.032 176.307 177.584 -0.409 0.000 1.061 146 A CA -0.198 51.681 52.037 -0.264 0.000 0.690 146 A CB 1.383 20.383 19.000 0.000 0.000 1.287 146 A HN 0.972 nan 8.150 nan 0.000 0.402 147 T N -0.975 113.486 114.554 -0.156 0.000 2.906 147 T HA 0.749 5.099 4.350 -0.000 0.000 0.295 147 T C -1.089 173.637 174.700 0.044 0.000 1.061 147 T CA -0.643 61.391 62.100 -0.110 0.000 1.000 147 T CB 1.442 70.252 68.868 -0.097 0.000 1.103 147 T HN 1.734 nan 8.240 nan 0.000 0.486 148 L N 1.368 122.547 121.223 -0.072 0.000 2.464 148 L HA 0.650 4.990 4.340 -0.000 0.000 0.266 148 L C -1.634 175.173 176.870 -0.104 0.000 0.965 148 L CA -0.405 54.339 54.840 -0.161 0.000 0.833 148 L CB 2.253 44.042 42.059 -0.450 0.000 1.296 148 L HN 0.870 nan 8.230 nan 0.000 0.405 149 D N 4.582 124.940 120.400 -0.070 0.000 2.412 149 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 149 D C 1.040 177.315 176.300 -0.042 0.000 1.093 149 D CA -0.020 53.959 54.000 -0.035 0.000 0.850 149 D CB 1.015 41.816 40.800 0.002 0.000 1.046 149 D HN 0.751 nan 8.370 nan 0.000 0.507 150 I N 2.698 123.246 120.570 -0.038 0.000 2.567 150 I HA -0.241 3.929 4.170 -0.000 0.000 0.257 150 I C 1.619 177.815 176.117 0.132 0.000 1.184 150 I CA 0.773 62.077 61.300 0.006 0.000 1.451 150 I CB 0.391 38.383 38.000 -0.012 0.000 1.089 150 I HN 0.257 nan 8.210 nan 0.000 0.441 151 S N -0.152 115.588 115.700 0.067 0.000 2.336 151 S HA -0.135 4.335 4.470 -0.000 0.000 0.216 151 S C 2.033 176.709 174.600 0.127 0.000 1.032 151 S CA 1.347 59.584 58.200 0.061 0.000 0.973 151 S CB -0.305 62.899 63.200 0.006 0.000 0.888 151 S HN 0.648 nan 8.310 nan 0.000 0.455 152 S N 0.773 116.528 115.700 0.091 0.000 2.428 152 S HA 0.229 4.699 4.470 -0.000 0.000 0.230 152 S C 1.702 176.373 174.600 0.119 0.000 1.014 152 S CA 1.050 59.308 58.200 0.096 0.000 0.957 152 S CB -0.460 62.775 63.200 0.057 0.000 0.784 152 S HN 0.932 nan 8.310 nan 0.000 0.499 153 G N 1.147 109.985 108.800 0.063 0.000 2.176 153 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 153 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 153 G C 0.133 175.018 174.900 -0.025 0.000 0.979 153 G CA 0.095 45.144 45.100 -0.087 0.000 0.641 153 G HN 0.670 nan 8.290 nan 0.000 0.530 154 R N 0.095 120.608 120.500 0.022 0.000 2.404 154 R HA 0.408 4.747 4.340 -0.000 0.000 0.315 154 R C -0.897 175.469 176.300 0.109 0.000 1.032 154 R CA -0.209 55.929 56.100 0.064 0.000 0.992 154 R CB -0.128 30.211 30.300 0.064 0.000 0.959 154 R HN 0.062 nan 8.270 nan 0.000 0.428 155 F N 5.159 125.076 119.950 -0.055 0.000 2.507 155 F HA 0.492 5.019 4.527 -0.000 0.000 0.328 155 F C -0.778 174.984 175.800 -0.063 0.000 1.136 155 F CA -1.147 56.815 58.000 -0.063 0.000 0.930 155 F CB 1.067 40.031 39.000 -0.059 0.000 1.166 155 F HN 0.433 nan 8.300 nan 0.000 0.436 156 R N 6.250 126.884 120.500 0.223 0.000 2.795 156 R HA 0.715 5.055 4.340 -0.000 0.000 0.275 156 R C -1.282 174.993 176.300 -0.042 0.000 0.981 156 R CA -0.930 55.183 56.100 0.022 0.000 0.917 156 R CB 2.655 32.989 30.300 0.056 0.000 1.202 156 R HN 0.811 nan 8.270 nan 0.000 0.469 157 L N -1.661 119.522 121.223 -0.067 0.000 2.424 157 L HA 0.822 5.162 4.340 -0.000 0.000 0.258 157 L C -0.701 176.199 176.870 0.050 0.000 0.995 157 L CA -0.551 54.270 54.840 -0.031 0.000 0.821 157 L CB 2.601 44.599 42.059 -0.101 0.000 1.383 157 L HN 0.821 nan 8.230 nan 0.000 0.410 158 S N 0.646 116.424 115.700 0.130 0.000 2.656 158 S HA 0.602 5.072 4.470 -0.000 0.000 0.273 158 S C -1.012 173.704 174.600 0.192 0.000 1.168 158 S CA -0.780 57.510 58.200 0.149 0.000 0.817 158 S CB 2.163 65.465 63.200 0.170 0.000 1.146 158 S HN 0.822 nan 8.310 nan 0.000 0.475 159 E N 1.143 121.439 120.200 0.159 0.000 3.352 159 E HA 0.326 4.676 4.350 -0.000 0.000 0.254 159 E C -2.846 173.844 176.600 0.150 0.000 1.229 159 E CA -1.573 54.933 56.400 0.177 0.000 0.949 159 E CB 1.060 30.846 29.700 0.144 0.000 1.373 159 E HN 0.399 nan 8.360 nan 0.000 0.392 160 P HA -0.116 nan 4.420 nan 0.000 0.263 160 P C 0.436 177.825 177.300 0.150 0.000 1.175 160 P CA 0.307 63.454 63.100 0.080 0.000 0.761 160 P CB 0.864 32.536 31.700 -0.046 0.000 0.794 161 A N 2.600 125.477 122.820 0.096 0.000 2.067 161 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 161 A C 0.498 178.168 177.584 0.144 0.000 1.156 161 A CA 1.444 53.542 52.037 0.102 0.000 0.683 161 A CB -0.578 18.455 19.000 0.055 0.000 0.808 161 A HN 0.708 nan 8.150 nan 0.000 0.455 162 D N -4.300 116.193 120.400 0.155 0.000 2.692 162 D HA 0.222 4.861 4.640 -0.000 0.000 0.290 162 D C 0.431 176.769 176.300 0.064 0.000 1.281 162 D CA -0.489 53.623 54.000 0.186 0.000 0.804 162 D CB 0.276 41.123 40.800 0.077 0.000 1.331 162 D HN -0.091 nan 8.370 nan 0.000 0.432 163 R N -0.236 120.325 120.500 0.102 0.000 2.091 163 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 163 R C 0.983 177.180 176.300 -0.172 0.000 1.136 163 R CA 1.981 58.018 56.100 -0.105 0.000 0.959 163 R CB -0.116 30.194 30.300 0.016 0.000 0.856 163 R HN 0.483 nan 8.270 nan 0.000 0.437 164 E N 0.138 120.288 120.200 -0.084 0.000 2.077 164 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 164 E C 0.780 177.322 176.600 -0.097 0.000 0.989 164 E CA 1.348 57.708 56.400 -0.068 0.000 0.800 164 E CB -0.289 29.402 29.700 -0.014 0.000 0.746 164 E HN 0.264 nan 8.360 nan 0.000 0.452 168 A N 0.125 122.861 122.820 -0.139 0.000 2.066 168 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 168 A C 1.640 179.160 177.584 -0.107 0.000 1.157 168 A CA 1.757 53.734 52.037 -0.100 0.000 0.670 168 A CB -0.286 18.667 19.000 -0.079 0.000 0.804 168 A HN 0.418 nan 8.150 nan 0.000 0.453 169 E N -0.237 119.862 120.200 -0.168 0.000 2.190 169 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 169 E C 1.961 178.450 176.600 -0.185 0.000 0.978 169 E CA 0.337 56.641 56.400 -0.160 0.000 0.839 169 E CB -0.238 29.334 29.700 -0.213 0.000 0.787 169 E HN 0.642 nan 8.360 nan 0.000 0.473 170 L N 0.881 121.937 121.223 -0.278 0.000 2.046 170 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 170 L C 2.720 179.542 176.870 -0.080 0.000 1.077 170 L CA 1.255 55.980 54.840 -0.192 0.000 0.747 170 L CB -0.230 41.706 42.059 -0.205 0.000 0.896 170 L HN 0.112 nan 8.230 nan 0.000 0.432 171 Q N 0.326 120.074 119.800 -0.086 0.000 2.079 171 Q HA -0.221 4.119 4.340 -0.000 0.000 0.200 171 Q C 2.246 178.202 176.000 -0.073 0.000 0.974 171 Q CA 1.562 57.328 55.803 -0.062 0.000 0.840 171 Q CB -0.139 28.569 28.738 -0.051 0.000 0.898 171 Q HN 0.253 nan 8.270 nan 0.000 0.430 172 R N -0.579 119.881 120.500 -0.067 0.000 2.075 172 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 172 R C 1.922 178.166 176.300 -0.093 0.000 1.126 172 R CA 1.944 57.990 56.100 -0.090 0.000 0.963 172 R CB -0.369 29.920 30.300 -0.019 0.000 0.858 172 R HN 0.514 nan 8.270 nan 0.000 0.435 173 T N -1.852 112.700 114.554 -0.005 0.000 3.014 173 T HA -0.054 4.296 4.350 -0.000 0.000 0.263 173 T C 0.740 175.451 174.700 0.019 0.000 1.078 173 T CA 0.462 62.588 62.100 0.043 0.000 1.135 173 T CB -0.369 68.604 68.868 0.175 0.000 0.895 173 T HN 0.401 nan 8.240 nan 0.000 0.480 174 N N 2.502 121.205 118.700 0.005 0.000 2.650 174 N HA -0.091 4.649 4.740 -0.000 0.000 0.272 174 N C -2.866 172.654 175.510 0.017 0.000 1.058 174 N CA 0.102 53.150 53.050 -0.004 0.000 0.765 174 N CB -0.876 37.587 38.487 -0.040 0.000 0.902 174 N HN 0.341 nan 8.380 nan 0.000 0.551 175 P HA 0.156 nan 4.420 nan 0.000 0.271 175 P C 0.356 177.668 177.300 0.020 0.000 1.216 175 P CA 0.112 63.236 63.100 0.041 0.000 0.771 175 P CB 0.728 32.473 31.700 0.075 0.000 0.864 176 A N 2.698 125.523 122.820 0.008 0.000 2.014 176 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 176 A C 0.810 178.397 177.584 0.005 0.000 1.163 176 A CA 1.231 53.270 52.037 0.004 0.000 0.652 176 A CB -0.414 18.586 19.000 -0.001 0.000 0.808 176 A HN 0.642 nan 8.150 nan 0.000 0.449 177 E N -0.690 119.510 120.200 0.000 0.000 2.290 177 E HA 0.537 4.886 4.350 -0.000 0.000 0.274 177 E C -2.002 174.578 176.600 -0.033 0.000 0.889 177 E CA -0.492 55.900 56.400 -0.013 0.000 0.760 177 E CB 1.362 31.058 29.700 -0.007 0.000 1.206 177 E HN 0.189 nan 8.360 nan 0.000 0.419 178 L N 6.682 127.890 121.223 -0.025 0.000 2.372 178 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 178 L C -1.228 175.640 176.870 -0.004 0.000 0.989 178 L CA -0.752 54.090 54.840 0.003 0.000 0.841 178 L CB 0.992 43.086 42.059 0.058 0.000 1.225 178 L HN 0.611 nan 8.230 nan 0.000 0.414 179 L N 5.751 126.927 121.223 -0.079 0.000 2.331 179 L HA 0.379 4.719 4.340 -0.000 0.000 0.278 179 L C -0.688 176.252 176.870 0.117 0.000 1.106 179 L CA -0.511 54.270 54.840 -0.099 0.000 0.824 179 L CB 0.594 42.507 42.059 -0.244 0.000 1.142 179 L HN 0.490 nan 8.230 nan 0.000 0.443 180 Y N 1.403 121.683 120.300 -0.034 0.000 2.553 180 Y HA 0.845 5.395 4.550 -0.000 0.000 0.347 180 Y C -0.462 175.404 175.900 -0.056 0.000 1.019 180 Y CA -1.469 56.554 58.100 -0.130 0.000 1.032 180 Y CB 1.218 39.465 38.460 -0.355 0.000 1.284 180 Y HN 0.584 nan 8.280 nan 0.000 0.466 181 A N 2.223 124.944 122.820 -0.166 0.000 2.322 181 A HA 0.340 4.660 4.320 -0.000 0.000 0.269 181 A C 0.755 178.358 177.584 0.032 0.000 1.094 181 A CA -0.276 51.659 52.037 -0.170 0.000 0.807 181 A CB 0.230 18.970 19.000 -0.434 0.000 1.047 181 A HN 1.010 nan 8.150 nan 0.000 0.487 182 E N 0.797 121.003 120.200 0.010 0.000 2.049 182 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 182 E C -0.209 176.498 176.600 0.178 0.000 1.007 182 E CA 1.703 58.154 56.400 0.085 0.000 0.809 182 E CB -0.136 29.603 29.700 0.065 0.000 0.749 182 E HN 0.700 nan 8.360 nan 0.000 0.450 183 D N 0.117 120.606 120.400 0.149 0.000 2.848 183 D HA 0.053 4.693 4.640 -0.000 0.000 0.232 183 D C -1.171 175.247 176.300 0.196 0.000 1.107 183 D CA 0.264 54.348 54.000 0.140 0.000 1.020 183 D CB -0.590 40.275 40.800 0.108 0.000 1.148 183 D HN -0.036 nan 8.370 nan 0.000 0.453 184 F N 0.376 120.368 119.950 0.071 0.000 2.411 184 F HA 0.510 5.037 4.527 -0.000 0.000 0.352 184 F C 0.949 176.761 175.800 0.021 0.000 1.123 184 F CA -1.113 56.920 58.000 0.055 0.000 1.044 184 F CB 1.206 40.297 39.000 0.153 0.000 1.135 184 F HN 0.092 nan 8.300 nan 0.000 0.461 185 A N 4.936 127.442 122.820 -0.524 0.000 1.844 185 A HA 0.076 4.396 4.320 -0.000 0.000 0.212 185 A C 1.025 178.336 177.584 -0.455 0.000 1.221 185 A CA 0.486 52.286 52.037 -0.396 0.000 0.607 185 A CB -0.536 18.259 19.000 -0.341 0.000 0.878 185 A HN 0.714 nan 8.150 nan 0.000 0.451 189 L N 2.243 123.476 121.223 0.017 0.000 2.141 189 L HA 0.179 4.519 4.340 -0.000 0.000 0.209 189 L C 1.967 178.831 176.870 -0.009 0.000 1.094 189 L CA 1.680 56.523 54.840 0.005 0.000 0.763 189 L CB -0.196 41.891 42.059 0.048 0.000 0.908 189 L HN 0.527 nan 8.230 nan 0.000 0.437 190 I N -5.602 114.968 120.570 -0.001 0.000 4.327 190 I HA 0.108 4.278 4.170 -0.000 0.000 0.331 190 I C 1.711 177.776 176.117 -0.086 0.000 1.348 190 I CA 0.056 61.315 61.300 -0.069 0.000 1.152 190 I CB 0.072 37.980 38.000 -0.153 0.000 1.151 190 I HN 0.082 nan 8.210 nan 0.000 0.410 191 E N 2.447 122.610 120.200 -0.062 0.000 2.132 191 E HA -0.250 4.100 4.350 -0.000 0.000 0.218 191 E C 1.929 178.511 176.600 -0.031 0.000 1.058 191 E CA 2.386 58.757 56.400 -0.049 0.000 0.882 191 E CB -0.225 29.460 29.700 -0.024 0.000 0.774 191 E HN 0.691 nan 8.360 nan 0.000 0.467 192 G N -0.075 108.713 108.800 -0.021 0.000 3.141 192 G HA2 0.014 3.974 3.960 -0.000 0.000 0.218 192 G HA3 0.014 3.974 3.960 -0.000 0.000 0.218 192 G C 0.177 175.074 174.900 -0.006 0.000 1.170 192 G CA -0.393 44.702 45.100 -0.008 0.000 0.769 192 G HN 0.007 nan 8.290 nan 0.000 0.546 193 R N 0.807 121.299 120.500 -0.015 0.000 2.539 193 R HA 0.283 4.622 4.340 -0.000 0.000 0.275 193 R C 0.699 177.003 176.300 0.006 0.000 1.077 193 R CA -0.528 55.568 56.100 -0.007 0.000 1.097 193 R CB 0.844 31.136 30.300 -0.013 0.000 1.018 193 R HN 0.338 nan 8.270 nan 0.000 0.483 194 R N 0.273 120.779 120.500 0.011 0.000 2.615 194 R HA 0.223 4.563 4.340 -0.000 0.000 0.270 194 R C 0.316 176.629 176.300 0.021 0.000 1.081 194 R CA 0.408 56.518 56.100 0.018 0.000 1.154 194 R CB 0.489 30.798 30.300 0.015 0.000 1.063 194 R HN 0.774 nan 8.270 nan 0.000 0.519 195 G N 1.557 110.373 108.800 0.027 0.000 2.176 195 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.252 195 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.252 195 G C -0.049 174.872 174.900 0.034 0.000 1.024 195 G CA 0.176 45.292 45.100 0.025 0.000 0.755 195 G HN 0.489 nan 8.290 nan 0.000 0.507 196 L N 0.367 121.629 121.223 0.066 0.000 2.410 196 L HA 0.440 4.780 4.340 -0.000 0.000 0.273 196 L C 0.630 177.577 176.870 0.128 0.000 1.152 196 L CA -0.284 54.640 54.840 0.141 0.000 0.855 196 L CB 0.555 42.724 42.059 0.183 0.000 1.129 196 L HN 0.065 nan 8.230 nan 0.000 0.463 197 R N 4.054 124.604 120.500 0.082 0.000 2.467 197 R HA 0.265 4.605 4.340 -0.000 0.000 0.299 197 R C -0.591 175.509 176.300 -0.334 0.000 1.120 197 R CA -0.659 55.380 56.100 -0.101 0.000 0.940 197 R CB 1.399 31.558 30.300 -0.236 0.000 1.161 197 R HN 0.567 nan 8.270 nan 0.000 0.506 198 R N 3.190 123.425 120.500 -0.441 0.000 2.316 198 R HA 0.229 4.568 4.340 -0.000 0.000 0.314 198 R C -0.584 175.468 176.300 -0.414 0.000 1.069 198 R CA -0.212 55.395 56.100 -0.822 0.000 0.959 198 R CB 0.605 30.579 30.300 -0.544 0.000 0.987 198 R HN 0.294 nan 8.270 nan 0.000 0.446 199 R N 5.026 125.302 120.500 -0.374 0.000 2.803 199 R HA 0.477 4.817 4.340 -0.000 0.000 0.276 199 R C -2.423 173.795 176.300 -0.136 0.000 0.978 199 R CA -2.624 53.353 56.100 -0.205 0.000 0.939 199 R CB 1.290 31.484 30.300 -0.178 0.000 1.179 199 R HN 0.607 nan 8.270 nan 0.000 0.472 200 P HA 0.026 nan 4.420 nan 0.000 0.271 200 P C 0.678 177.904 177.300 -0.124 0.000 1.238 200 P CA -0.239 62.761 63.100 -0.166 0.000 0.794 200 P CB 0.927 32.437 31.700 -0.318 0.000 0.959 201 L N 0.135 121.377 121.223 0.030 0.000 2.179 201 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 201 L C 2.403 179.360 176.870 0.144 0.000 1.096 201 L CA 0.840 55.764 54.840 0.141 0.000 0.779 201 L CB -0.597 41.571 42.059 0.181 0.000 0.922 201 L HN 0.566 nan 8.230 nan 0.000 0.443 202 W N 0.028 121.386 121.300 0.097 0.000 2.611 202 W HA -0.112 4.548 4.660 -0.000 0.000 0.251 202 W C 1.132 177.647 176.519 -0.007 0.000 1.265 202 W CA 0.225 57.596 57.345 0.044 0.000 1.295 202 W CB -0.834 28.639 29.460 0.021 0.000 1.129 202 W HN 0.245 nan 8.180 nan 0.000 0.630 203 E N 0.039 119.875 120.200 -0.606 0.000 2.511 203 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 203 E C 0.096 176.299 176.600 -0.663 0.000 1.066 203 E CA 0.465 56.436 56.400 -0.715 0.000 0.871 203 E CB -0.314 28.823 29.700 -0.939 0.000 0.863 203 E HN 0.233 nan 8.360 nan 0.000 0.520 204 F N 0.787 120.528 119.950 -0.349 0.000 2.908 204 F HA 0.182 4.709 4.527 -0.000 0.000 0.328 204 F C 0.628 176.193 175.800 -0.392 0.000 1.211 204 F CA -0.367 57.326 58.000 -0.511 0.000 1.291 204 F CB 0.680 39.181 39.000 -0.832 0.000 0.962 204 F HN -0.198 nan 8.300 nan 0.000 0.505 205 E N 1.413 121.567 120.200 -0.076 0.000 2.200 205 E HA 0.095 4.445 4.350 -0.000 0.000 0.283 205 E C 1.162 177.749 176.600 -0.021 0.000 1.015 205 E CA -0.072 56.329 56.400 0.002 0.000 0.819 205 E CB 1.241 30.986 29.700 0.075 0.000 1.081 205 E HN 0.377 nan 8.360 nan 0.000 0.397 206 I N 5.069 125.647 120.570 0.013 0.000 2.208 206 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 206 I C 1.249 177.378 176.117 0.020 0.000 1.097 206 I CA 1.745 63.058 61.300 0.022 0.000 1.363 206 I CB 0.046 38.087 38.000 0.068 0.000 1.051 206 I HN 0.506 nan 8.210 nan 0.000 0.413 207 D N -0.425 119.992 120.400 0.029 0.000 2.097 207 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 207 D C 2.127 178.434 176.300 0.013 0.000 0.984 207 D CA 1.970 55.985 54.000 0.025 0.000 0.826 207 D CB -0.619 40.198 40.800 0.029 0.000 0.973 207 D HN 0.342 nan 8.370 nan 0.000 0.460 208 T N 1.380 115.942 114.554 0.012 0.000 2.652 208 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 208 T C 2.102 176.786 174.700 -0.025 0.000 1.039 208 T CA 1.881 63.983 62.100 0.003 0.000 1.153 208 T CB -0.411 68.471 68.868 0.023 0.000 0.863 208 T HN 0.222 nan 8.240 nan 0.000 0.428 209 A N 1.844 124.637 122.820 -0.045 0.000 1.884 209 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 209 A C 2.354 179.914 177.584 -0.041 0.000 1.197 209 A CA 1.982 53.979 52.037 -0.066 0.000 0.637 209 A CB -0.668 18.282 19.000 -0.083 0.000 0.827 209 A HN 0.449 nan 8.150 nan 0.000 0.450 210 R N -1.116 119.377 120.500 -0.011 0.000 2.094 210 R HA -0.203 4.137 4.340 -0.000 0.000 0.239 210 R C 2.626 178.927 176.300 0.002 0.000 1.137 210 R CA 1.676 57.783 56.100 0.012 0.000 0.943 210 R CB -0.469 29.848 30.300 0.029 0.000 0.850 210 R HN 0.765 nan 8.270 nan 0.000 0.433 211 Q N 1.097 120.894 119.800 -0.005 0.000 2.096 211 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 211 Q C 1.948 177.923 176.000 -0.041 0.000 0.982 211 Q CA 1.784 57.580 55.803 -0.011 0.000 0.850 211 Q CB 0.042 28.776 28.738 -0.007 0.000 0.901 211 Q HN 0.484 nan 8.270 nan 0.000 0.422 212 Q N -0.088 119.675 119.800 -0.061 0.000 2.079 212 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 212 Q C 2.333 178.225 176.000 -0.181 0.000 0.974 212 Q CA 1.355 57.097 55.803 -0.102 0.000 0.840 212 Q CB -0.016 28.664 28.738 -0.097 0.000 0.898 212 Q HN 0.375 nan 8.270 nan 0.000 0.430 213 L N 0.572 121.685 121.223 -0.182 0.000 2.056 213 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 213 L C 2.061 178.720 176.870 -0.352 0.000 1.078 213 L CA 0.694 55.316 54.840 -0.365 0.000 0.749 213 L CB -0.462 41.520 42.059 -0.128 0.000 0.901 213 L HN 0.264 nan 8.230 nan 0.000 0.433 214 N N 0.190 118.859 118.700 -0.053 0.000 2.166 214 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 214 N C 1.842 177.359 175.510 0.012 0.000 1.019 214 N CA 1.176 54.270 53.050 0.073 0.000 0.856 214 N CB -0.119 38.421 38.487 0.087 0.000 0.993 214 N HN 0.180 nan 8.380 nan 0.000 0.426 215 L N 1.816 123.001 121.223 -0.064 0.000 2.056 215 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 215 L C 2.402 179.213 176.870 -0.100 0.000 1.078 215 L CA 1.691 56.496 54.840 -0.059 0.000 0.749 215 L CB -0.913 41.108 42.059 -0.063 0.000 0.901 215 L HN 0.026 nan 8.230 nan 0.000 0.433 216 Q N -0.690 118.962 119.800 -0.247 0.000 2.096 216 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 216 Q C 1.784 177.675 176.000 -0.182 0.000 0.982 216 Q CA 2.188 57.803 55.803 -0.313 0.000 0.850 216 Q CB -0.407 27.981 28.738 -0.582 0.000 0.901 216 Q HN 0.521 nan 8.270 nan 0.000 0.422 217 F N -0.894 119.080 119.950 0.040 0.000 2.664 217 F HA 0.351 4.878 4.527 -0.000 0.000 0.296 217 F C 1.632 177.506 175.800 0.124 0.000 1.125 217 F CA 0.496 58.550 58.000 0.090 0.000 1.444 217 F CB -0.409 38.678 39.000 0.145 0.000 1.114 217 F HN 0.208 nan 8.300 nan 0.000 0.576 218 G N 1.461 110.389 108.800 0.213 0.000 2.225 218 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 218 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 218 G C 0.122 175.118 174.900 0.161 0.000 1.060 218 G CA 0.394 45.583 45.100 0.148 0.000 0.833 218 G HN 0.532 nan 8.290 nan 0.000 0.498 219 T N -3.565 111.108 114.554 0.198 0.000 2.930 219 T HA 0.721 5.071 4.350 -0.000 0.000 0.290 219 T C 1.201 175.969 174.700 0.114 0.000 1.052 219 T CA -0.170 62.026 62.100 0.159 0.000 1.017 219 T CB 1.826 70.836 68.868 0.237 0.000 1.137 219 T HN 0.563 nan 8.240 nan 0.000 0.511 220 R N 0.614 121.157 120.500 0.072 0.000 2.100 220 R HA 0.254 4.594 4.340 -0.000 0.000 0.220 220 R C -0.022 176.317 176.300 0.064 0.000 1.091 220 R CA 0.754 56.887 56.100 0.055 0.000 0.986 220 R CB -0.434 29.884 30.300 0.031 0.000 0.888 220 R HN 0.751 nan 8.270 nan 0.000 0.444 221 D N -1.000 119.439 120.400 0.066 0.000 2.636 221 D HA 0.199 4.839 4.640 -0.000 0.000 0.275 221 D C 0.131 176.496 176.300 0.107 0.000 1.130 221 D CA -0.939 53.105 54.000 0.074 0.000 1.031 221 D CB 0.802 41.625 40.800 0.039 0.000 1.451 221 D HN 0.014 nan 8.370 nan 0.000 0.505 222 L N 0.603 121.900 121.223 0.124 0.000 2.667 222 L HA 0.195 4.535 4.340 -0.000 0.000 0.232 222 L C 1.599 178.509 176.870 0.066 0.000 1.138 222 L CA -0.232 54.729 54.840 0.203 0.000 0.921 222 L CB 0.233 42.442 42.059 0.250 0.000 1.180 222 L HN 0.308 nan 8.230 nan 0.000 0.487 223 V N 1.011 120.918 119.914 -0.012 0.000 2.324 223 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 223 V C 2.524 178.541 176.094 -0.129 0.000 1.060 223 V CA 2.349 64.620 62.300 -0.049 0.000 1.042 223 V CB -0.923 30.872 31.823 -0.047 0.000 0.650 223 V HN 0.647 nan 8.190 nan 0.000 0.450 224 G N -1.494 107.137 108.800 -0.283 0.000 2.559 224 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 224 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 224 G C 1.087 175.674 174.900 -0.521 0.000 1.126 224 G CA 0.334 45.174 45.100 -0.433 0.000 0.778 224 G HN 0.544 nan 8.290 nan 0.000 0.543 225 F N -0.025 119.869 119.950 -0.092 0.000 2.695 225 F HA 0.346 4.873 4.527 -0.000 0.000 0.303 225 F C 1.944 177.688 175.800 -0.093 0.000 1.091 225 F CA -0.426 57.495 58.000 -0.131 0.000 1.300 225 F CB 0.207 39.074 39.000 -0.221 0.000 1.071 225 F HN 0.170 nan 8.300 nan 0.000 0.578 226 G N 0.928 109.753 108.800 0.043 0.000 2.160 226 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.251 226 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.251 226 G C 0.721 175.644 174.900 0.039 0.000 1.008 226 G CA 0.639 45.753 45.100 0.024 0.000 0.724 226 G HN 0.636 nan 8.290 nan 0.000 0.514 227 V N -3.307 116.645 119.914 0.064 0.000 3.432 227 V HA 0.550 4.670 4.120 -0.000 0.000 0.298 227 V C 1.741 177.870 176.094 0.058 0.000 1.464 227 V CA 1.239 63.569 62.300 0.050 0.000 1.046 227 V CB 0.828 32.669 31.823 0.029 0.000 0.887 227 V HN 0.237 nan 8.190 nan 0.000 0.441 228 E N 4.185 124.421 120.200 0.061 0.000 2.114 228 E HA -0.263 4.086 4.350 -0.000 0.000 0.199 228 E C 1.516 178.146 176.600 0.051 0.000 1.008 228 E CA 2.320 58.755 56.400 0.058 0.000 0.810 228 E CB -0.259 29.466 29.700 0.042 0.000 0.739 228 E HN 0.925 nan 8.360 nan 0.000 0.456 229 N N -0.284 118.442 118.700 0.043 0.000 2.451 229 N HA 0.172 4.912 4.740 -0.000 0.000 0.264 229 N C -0.935 174.606 175.510 0.052 0.000 1.167 229 N CA 0.460 53.536 53.050 0.044 0.000 0.898 229 N CB 0.781 39.288 38.487 0.033 0.000 1.176 229 N HN 0.137 nan 8.380 nan 0.000 0.507 230 A N 0.703 123.559 122.820 0.060 0.000 3.165 230 A HA 0.478 4.798 4.320 -0.000 0.000 0.331 230 A C -1.755 175.889 177.584 0.099 0.000 1.034 230 A CA -1.201 50.881 52.037 0.074 0.000 0.906 230 A CB 0.835 19.872 19.000 0.063 0.000 1.054 230 A HN 0.065 nan 8.150 nan 0.000 0.484 231 P HA -0.196 nan 4.420 nan 0.000 0.215 231 P C 1.612 179.042 177.300 0.217 0.000 1.157 231 P CA 1.249 64.431 63.100 0.137 0.000 0.868 231 P CB 0.113 31.895 31.700 0.135 0.000 0.788 232 R N -0.729 119.934 120.500 0.271 0.000 2.091 232 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 232 R C 2.596 179.187 176.300 0.485 0.000 1.136 232 R CA 1.763 58.145 56.100 0.470 0.000 0.959 232 R CB -1.457 29.022 30.300 0.299 0.000 0.856 232 R HN 0.257 nan 8.270 nan 0.000 0.437 233 G N 0.844 109.813 108.800 0.282 0.000 2.408 233 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 233 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 233 G C 1.442 176.416 174.900 0.124 0.000 1.150 233 G CA 0.305 45.532 45.100 0.213 0.000 0.776 233 G HN 0.127 nan 8.290 nan 0.000 0.542 234 L N 0.020 121.299 121.223 0.092 0.000 2.083 234 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 234 L C 3.002 179.860 176.870 -0.021 0.000 1.083 234 L CA 0.612 55.464 54.840 0.021 0.000 0.752 234 L CB -0.449 41.631 42.059 0.035 0.000 0.899 234 L HN 0.253 nan 8.230 nan 0.000 0.433 235 C N -0.373 118.919 119.300 -0.013 0.000 2.429 235 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 235 C C 3.136 177.980 174.990 -0.243 0.000 1.262 235 C CA 0.768 59.664 59.018 -0.204 0.000 1.733 235 C CB -0.979 26.493 27.740 -0.447 0.000 2.010 235 C HN 0.625 nan 8.230 nan 0.000 0.483 236 A N 0.397 123.174 122.820 -0.072 0.000 1.902 236 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 236 A C 2.336 179.893 177.584 -0.044 0.000 1.181 236 A CA 2.104 54.171 52.037 0.050 0.000 0.623 236 A CB -0.862 18.289 19.000 0.251 0.000 0.818 236 A HN 0.588 nan 8.150 nan 0.000 0.443 237 A N -0.704 122.106 122.820 -0.018 0.000 2.014 237 A HA 0.219 4.539 4.320 -0.000 0.000 0.218 237 A C 2.300 179.915 177.584 0.052 0.000 1.163 237 A CA 1.663 53.738 52.037 0.063 0.000 0.652 237 A CB -1.097 17.828 19.000 -0.125 0.000 0.808 237 A HN 0.659 nan 8.150 nan 0.000 0.449 238 G N -0.994 107.747 108.800 -0.099 0.000 2.404 238 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.215 238 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.215 238 G C 1.780 176.535 174.900 -0.242 0.000 1.174 238 G CA 1.179 46.191 45.100 -0.146 0.000 0.780 238 G HN 0.592 nan 8.290 nan 0.000 0.537 239 C N 0.177 119.211 119.300 -0.444 0.000 2.429 239 C HA 0.071 4.531 4.460 -0.000 0.000 0.277 239 C C 2.752 177.541 174.990 -0.334 0.000 1.262 239 C CA 1.061 59.711 59.018 -0.614 0.000 1.733 239 C CB -1.103 25.852 27.740 -1.308 0.000 2.010 239 C HN 0.430 nan 8.230 nan 0.000 0.483 240 L N 0.320 121.412 121.223 -0.218 0.000 1.994 240 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 240 L C 2.465 179.280 176.870 -0.091 0.000 1.071 240 L CA 2.072 56.843 54.840 -0.116 0.000 0.745 240 L CB -0.604 41.430 42.059 -0.041 0.000 0.892 240 L HN 0.455 nan 8.230 nan 0.000 0.431 241 L N -0.406 120.767 121.223 -0.084 0.000 2.017 241 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 241 L C 2.585 179.383 176.870 -0.120 0.000 1.073 241 L CA 1.724 56.485 54.840 -0.131 0.000 0.745 241 L CB -0.777 41.247 42.059 -0.059 0.000 0.894 241 L HN 0.340 nan 8.230 nan 0.000 0.432 242 Q N -1.308 118.425 119.800 -0.112 0.000 2.135 242 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 242 Q C 2.207 178.161 176.000 -0.077 0.000 0.981 242 Q CA 2.178 57.919 55.803 -0.104 0.000 0.856 242 Q CB -0.581 28.081 28.738 -0.127 0.000 0.902 242 Q HN 0.680 nan 8.270 nan 0.000 0.425 243 Y N 0.738 120.924 120.300 -0.189 0.000 2.163 243 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 243 Y C 2.222 178.037 175.900 -0.141 0.000 1.136 243 Y CA 1.452 59.453 58.100 -0.165 0.000 1.147 243 Y CB -0.330 38.023 38.460 -0.177 0.000 0.987 243 Y HN 0.096 nan 8.280 nan 0.000 0.509 244 A N 0.574 123.358 122.820 -0.060 0.000 1.865 244 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 244 A C 2.218 179.694 177.584 -0.180 0.000 1.191 244 A CA 2.155 54.107 52.037 -0.141 0.000 0.623 244 A CB -0.675 18.239 19.000 -0.144 0.000 0.826 244 A HN 0.512 nan 8.150 nan 0.000 0.444 245 K N -0.761 119.547 120.400 -0.153 0.000 2.044 245 K HA -0.235 4.084 4.320 -0.000 0.000 0.210 245 K C 1.872 178.382 176.600 -0.148 0.000 1.049 245 K CA 1.731 57.937 56.287 -0.134 0.000 0.927 245 K CB -0.299 32.133 32.500 -0.113 0.000 0.713 245 K HN 0.541 nan 8.250 nan 0.000 0.443 246 D N -0.013 120.277 120.400 -0.183 0.000 2.144 246 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 246 D C 1.846 178.003 176.300 -0.239 0.000 0.984 246 D CA 1.822 55.704 54.000 -0.197 0.000 0.834 246 D CB -0.002 40.669 40.800 -0.215 0.000 0.955 246 D HN 0.322 nan 8.370 nan 0.000 0.465 247 T N -2.727 111.628 114.554 -0.332 0.000 2.951 247 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 247 T C 1.644 176.230 174.700 -0.189 0.000 1.073 247 T CA 0.650 62.568 62.100 -0.303 0.000 1.134 247 T CB -0.029 68.620 68.868 -0.365 0.000 0.884 247 T HN 0.047 nan 8.240 nan 0.000 0.479 248 Q N 0.138 119.842 119.800 -0.159 0.000 2.373 248 Q HA 0.231 4.571 4.340 -0.000 0.000 0.210 248 Q C 0.539 176.482 176.000 -0.096 0.000 0.913 248 Q CA 0.090 55.824 55.803 -0.115 0.000 0.911 248 Q CB 0.057 28.738 28.738 -0.095 0.000 1.040 248 Q HN 0.378 nan 8.270 nan 0.000 0.521 249 R N 0.753 121.195 120.500 -0.096 0.000 3.502 249 R HA -0.112 4.228 4.340 -0.000 0.000 0.266 249 R C -0.612 175.649 176.300 -0.064 0.000 1.077 249 R CA 0.808 56.864 56.100 -0.074 0.000 0.718 249 R CB -2.896 27.366 30.300 -0.064 0.000 1.120 249 R HN 0.256 nan 8.270 nan 0.000 0.457 250 T N -1.212 113.301 114.554 -0.067 0.000 2.843 250 T HA 0.405 4.755 4.350 -0.000 0.000 0.302 250 T C -0.008 174.660 174.700 -0.052 0.000 1.232 250 T CA -0.192 61.872 62.100 -0.060 0.000 1.009 250 T CB 2.336 71.163 68.868 -0.067 0.000 1.254 250 T HN 0.192 nan 8.240 nan 0.000 0.504 251 T N 0.479 115.007 114.554 -0.043 0.000 2.899 251 T HA 0.607 4.957 4.350 -0.000 0.000 0.295 251 T C -0.005 174.694 174.700 -0.002 0.000 1.033 251 T CA -0.717 61.365 62.100 -0.030 0.000 1.084 251 T CB 0.096 68.950 68.868 -0.023 0.000 0.979 251 T HN 0.443 nan 8.240 nan 0.000 0.532 252 L N 2.813 124.042 121.223 0.010 0.000 2.556 252 L HA 0.294 4.634 4.340 -0.000 0.000 0.243 252 L C -1.639 175.278 176.870 0.078 0.000 1.331 252 L CA -1.953 52.938 54.840 0.085 0.000 0.927 252 L CB 1.247 43.283 42.059 -0.039 0.000 1.219 252 L HN 0.514 nan 8.230 nan 0.000 0.490 253 P HA -0.169 nan 4.420 nan 0.000 0.223 253 P C 1.114 178.502 177.300 0.146 0.000 1.151 253 P CA 1.229 64.393 63.100 0.108 0.000 0.787 253 P CB -0.080 31.668 31.700 0.079 0.000 0.788 254 H N -0.819 118.253 119.070 0.002 0.000 2.555 254 H HA 0.147 4.703 4.556 -0.000 0.000 0.269 254 H C 0.668 176.017 175.328 0.035 0.000 0.988 254 H CA -0.178 55.880 56.048 0.016 0.000 1.178 254 H CB -1.070 28.689 29.762 -0.005 0.000 1.373 254 H HN 0.164 nan 8.280 nan 0.000 0.588 255 I N 3.474 123.825 120.570 -0.365 0.000 2.276 255 I HA 0.157 4.327 4.170 -0.000 0.000 0.290 255 I C 1.025 177.199 176.117 0.096 0.000 1.109 255 I CA -0.176 61.001 61.300 -0.205 0.000 1.229 255 I CB 0.443 38.266 38.000 -0.295 0.000 1.452 255 I HN 0.240 nan 8.210 nan 0.000 0.497 256 R N 2.515 123.088 120.500 0.122 0.000 2.476 256 R HA 0.400 4.740 4.340 -0.000 0.000 0.276 256 R C 0.154 176.431 176.300 -0.039 0.000 0.941 256 R CA -0.259 55.956 56.100 0.192 0.000 1.088 256 R CB 0.816 31.198 30.300 0.137 0.000 1.216 256 R HN 0.376 nan 8.270 nan 0.000 0.533 257 S N 0.186 115.709 115.700 -0.294 0.000 2.565 257 S HA 0.605 5.075 4.470 -0.000 0.000 0.269 257 S C -1.764 172.336 174.600 -0.834 0.000 1.153 257 S CA -0.747 56.955 58.200 -0.830 0.000 0.835 257 S CB 1.823 64.881 63.200 -0.236 0.000 1.122 257 S HN 0.288 nan 8.310 nan 0.000 0.462 258 I N 1.785 121.664 120.570 -1.151 0.000 2.802 258 I HA 0.632 4.802 4.170 -0.000 0.000 0.298 258 I C -0.798 175.106 176.117 -0.355 0.000 1.176 258 I CA -0.123 60.791 61.300 -0.643 0.000 1.025 258 I CB 2.366 39.879 38.000 -0.812 0.000 1.243 258 I HN 0.691 nan 8.210 nan 0.000 0.424 262 R N 1.321 121.826 120.500 0.009 0.000 2.668 262 R HA 0.265 4.605 4.340 -0.000 0.000 0.279 262 R C 0.975 177.272 176.300 -0.006 0.000 0.976 262 R CA -0.655 55.449 56.100 0.006 0.000 0.978 262 R CB 1.357 31.655 30.300 -0.004 0.000 1.133 262 R HN 0.617 nan 8.270 nan 0.000 0.484 263 E N 1.504 121.702 120.200 -0.004 0.000 2.049 263 E HA -0.298 4.052 4.350 -0.000 0.000 0.198 263 E C 1.579 178.156 176.600 -0.038 0.000 1.007 263 E CA 1.824 58.214 56.400 -0.016 0.000 0.809 263 E CB 0.234 29.929 29.700 -0.008 0.000 0.749 263 E HN 0.540 nan 8.360 nan 0.000 0.450 264 Q N 0.127 119.901 119.800 -0.043 0.000 2.436 264 Q HA -0.154 4.186 4.340 -0.000 0.000 0.209 264 Q C 0.689 176.642 176.000 -0.078 0.000 0.965 264 Q CA 1.153 56.915 55.803 -0.068 0.000 0.910 264 Q CB 0.110 28.806 28.738 -0.069 0.000 0.980 264 Q HN 0.267 nan 8.270 nan 0.000 0.491 265 D N 1.639 122.003 120.400 -0.060 0.000 2.269 265 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 265 D C 0.500 176.755 176.300 -0.074 0.000 0.963 265 D CA 1.038 55.000 54.000 -0.064 0.000 0.864 265 D CB 0.313 41.086 40.800 -0.046 0.000 0.936 265 D HN 0.425 nan 8.370 nan 0.000 0.505 266 S N -0.762 114.894 115.700 -0.074 0.000 2.564 266 S HA 0.507 4.976 4.470 -0.000 0.000 0.274 266 S C -0.378 174.159 174.600 -0.105 0.000 1.124 266 S CA -1.006 57.147 58.200 -0.078 0.000 0.869 266 S CB 1.734 64.908 63.200 -0.044 0.000 1.105 266 S HN -0.022 nan 8.310 nan 0.000 0.472 267 I N 2.516 123.011 120.570 -0.126 0.000 2.533 267 I HA 0.153 4.323 4.170 -0.000 0.000 0.284 267 I C 0.359 176.402 176.117 -0.123 0.000 1.109 267 I CA -0.225 60.980 61.300 -0.158 0.000 1.412 267 I CB 0.072 37.959 38.000 -0.188 0.000 1.396 267 I HN 0.558 nan 8.210 nan 0.000 0.543 271 A N 0.514 123.329 122.820 -0.009 0.000 1.892 271 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 271 A C 2.269 179.862 177.584 0.015 0.000 1.188 271 A CA 3.288 55.325 52.037 0.001 0.000 0.631 271 A CB -1.492 17.503 19.000 -0.009 0.000 0.822 271 A HN 1.010 nan 8.150 nan 0.000 0.447 272 A N -1.580 121.250 122.820 0.018 0.000 1.933 272 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 272 A C 2.319 179.920 177.584 0.029 0.000 1.175 272 A CA 2.335 54.387 52.037 0.025 0.000 0.628 272 A CB -1.221 17.797 19.000 0.030 0.000 0.814 272 A HN 0.450 nan 8.150 nan 0.000 0.444 273 T N -0.987 113.582 114.554 0.025 0.000 2.737 273 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 273 T C 2.106 176.816 174.700 0.016 0.000 1.038 273 T CA 1.516 63.625 62.100 0.016 0.000 1.144 273 T CB -0.207 68.651 68.868 -0.017 0.000 0.866 273 T HN 0.543 nan 8.240 nan 0.000 0.434 274 R N 0.619 121.134 120.500 0.025 0.000 2.083 274 R HA -0.040 4.300 4.340 -0.000 0.000 0.237 274 R C 2.626 178.967 176.300 0.067 0.000 1.137 274 R CA 1.434 57.569 56.100 0.060 0.000 0.951 274 R CB -0.054 30.305 30.300 0.099 0.000 0.851 274 R HN 0.274 nan 8.270 nan 0.000 0.434 275 R N -0.176 120.357 120.500 0.055 0.000 2.075 275 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 275 R C 1.932 178.258 176.300 0.043 0.000 1.126 275 R CA 1.523 57.654 56.100 0.051 0.000 0.963 275 R CB -0.212 30.110 30.300 0.037 0.000 0.858 275 R HN 0.291 nan 8.270 nan 0.000 0.435 276 N N 0.582 119.304 118.700 0.036 0.000 2.309 276 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 276 N C 1.522 177.057 175.510 0.041 0.000 1.018 276 N CA 0.912 53.984 53.050 0.036 0.000 0.876 276 N CB 0.036 38.543 38.487 0.032 0.000 0.972 276 N HN 0.225 nan 8.380 nan 0.000 0.434 277 L N 0.771 122.013 121.223 0.031 0.000 2.554 277 L HA 0.082 4.422 4.340 -0.000 0.000 0.226 277 L C -0.104 176.785 176.870 0.033 0.000 1.137 277 L CA 0.200 55.055 54.840 0.024 0.000 0.863 277 L CB -0.306 41.748 42.059 -0.009 0.000 0.985 277 L HN 0.117 nan 8.230 nan 0.000 0.451 278 E N -0.055 120.169 120.200 0.040 0.000 2.252 278 E HA -0.264 4.086 4.350 -0.000 0.000 0.218 278 E C 0.984 177.600 176.600 0.027 0.000 1.253 278 E CA 0.113 56.541 56.400 0.046 0.000 0.705 278 E CB -1.430 28.306 29.700 0.060 0.000 1.172 278 E HN 0.548 nan 8.360 nan 0.000 0.369 279 I N -0.164 120.403 120.570 -0.005 0.000 2.110 279 I HA -0.208 3.962 4.170 -0.000 0.000 0.236 279 I C 2.465 178.564 176.117 -0.030 0.000 1.068 279 I CA 2.188 63.436 61.300 -0.087 0.000 1.333 279 I CB -0.335 37.477 38.000 -0.314 0.000 1.054 279 I HN 0.346 nan 8.210 nan 0.000 0.402 280 T N -3.461 111.129 114.554 0.061 0.000 3.003 280 T HA 0.193 4.543 4.350 -0.000 0.000 0.261 280 T C 0.423 175.182 174.700 0.098 0.000 1.003 280 T CA -0.319 61.847 62.100 0.111 0.000 0.917 280 T CB 0.386 69.385 68.868 0.218 0.000 1.084 280 T HN 0.194 nan 8.240 nan 0.000 0.522 281 Q N 2.227 122.083 119.800 0.094 0.000 2.304 281 Q HA 0.368 4.708 4.340 -0.000 0.000 0.270 281 Q C -0.748 175.285 176.000 0.056 0.000 1.035 281 Q CA -0.870 54.974 55.803 0.069 0.000 0.781 281 Q CB 1.702 30.482 28.738 0.071 0.000 1.261 281 Q HN 0.559 nan 8.270 nan 0.000 0.444 282 N N 3.074 121.801 118.700 0.044 0.000 2.381 282 N HA 0.066 4.806 4.740 -0.000 0.000 0.254 282 N C 0.601 176.132 175.510 0.035 0.000 1.264 282 N CA -0.285 52.788 53.050 0.039 0.000 0.942 282 N CB 0.958 39.465 38.487 0.033 0.000 1.190 282 N HN 0.611 nan 8.380 nan 0.000 0.495 283 L N -0.447 120.795 121.223 0.032 0.000 2.265 283 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 283 L C 2.208 179.091 176.870 0.023 0.000 1.117 283 L CA 1.108 55.964 54.840 0.027 0.000 0.782 283 L CB -0.393 41.681 42.059 0.024 0.000 0.914 283 L HN 0.745 nan 8.230 nan 0.000 0.441 284 A N -0.652 122.181 122.820 0.022 0.000 2.278 284 A HA 0.383 4.703 4.320 -0.000 0.000 0.212 284 A C 1.729 179.324 177.584 0.019 0.000 1.213 284 A CA 0.624 52.672 52.037 0.019 0.000 0.840 284 A CB -0.333 18.677 19.000 0.017 0.000 0.866 284 A HN 0.490 nan 8.150 nan 0.000 0.489 285 G N -1.742 107.072 108.800 0.022 0.000 2.199 285 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.254 285 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.254 285 G C 0.882 175.795 174.900 0.022 0.000 0.982 285 G CA 0.375 45.487 45.100 0.022 0.000 0.632 285 G HN 1.346 nan 8.290 nan 0.000 0.529 286 G N -0.915 107.899 108.800 0.023 0.000 2.516 286 G HA2 0.653 4.613 3.960 -0.000 0.000 0.276 286 G HA3 0.653 4.613 3.960 -0.000 0.000 0.276 286 G C 1.035 175.951 174.900 0.026 0.000 1.390 286 G CA 0.915 46.028 45.100 0.022 0.000 1.050 286 G HN 1.373 nan 8.290 nan 0.000 0.519 287 A N -1.654 121.181 122.820 0.025 0.000 2.390 287 A HA 0.393 4.713 4.320 -0.000 0.000 0.225 287 A C 0.832 178.433 177.584 0.027 0.000 1.232 287 A CA 0.334 52.388 52.037 0.028 0.000 0.964 287 A CB -0.051 18.963 19.000 0.024 0.000 1.064 287 A HN 0.626 nan 8.150 nan 0.000 0.525 288 E N 0.786 121.000 120.200 0.024 0.000 2.349 288 E HA 0.200 4.550 4.350 -0.000 0.000 0.262 288 E C -0.414 176.202 176.600 0.027 0.000 1.088 288 E CA -0.457 55.957 56.400 0.023 0.000 0.899 288 E CB 0.174 29.885 29.700 0.018 0.000 1.044 288 E HN 0.292 nan 8.360 nan 0.000 0.420 289 N N 1.176 119.893 118.700 0.028 0.000 2.725 289 N HA -0.186 4.553 4.740 -0.000 0.000 0.251 289 N C -1.048 174.488 175.510 0.043 0.000 1.031 289 N CA 1.328 54.398 53.050 0.032 0.000 0.720 289 N CB -1.462 37.041 38.487 0.026 0.000 0.930 289 N HN 0.537 nan 8.380 nan 0.000 0.543 290 T N -0.929 113.652 114.554 0.045 0.000 2.926 290 T HA 0.502 4.852 4.350 -0.000 0.000 0.289 290 T C 1.265 175.995 174.700 0.050 0.000 1.054 290 T CA -0.645 61.484 62.100 0.049 0.000 1.015 290 T CB 1.687 70.580 68.868 0.042 0.000 1.167 290 T HN 0.063 nan 8.240 nan 0.000 0.526 291 L N 2.781 124.027 121.223 0.040 0.000 2.083 291 L HA 0.204 4.544 4.340 -0.000 0.000 0.209 291 L C 2.534 179.420 176.870 0.027 0.000 1.083 291 L CA 2.611 57.468 54.840 0.028 0.000 0.752 291 L CB -1.030 41.025 42.059 -0.007 0.000 0.899 291 L HN 0.801 nan 8.230 nan 0.000 0.433 292 A N -0.845 121.986 122.820 0.019 0.000 1.930 292 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 292 A C 2.482 180.080 177.584 0.025 0.000 1.175 292 A CA 1.798 53.848 52.037 0.021 0.000 0.627 292 A CB -1.132 17.883 19.000 0.024 0.000 0.815 292 A HN 0.663 nan 8.150 nan 0.000 0.443 293 S N -0.595 115.122 115.700 0.028 0.000 2.419 293 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 293 S C 1.595 176.211 174.600 0.027 0.000 1.019 293 S CA 1.612 59.827 58.200 0.025 0.000 0.982 293 S CB -0.531 62.685 63.200 0.027 0.000 0.789 293 S HN 0.259 nan 8.310 nan 0.000 0.490 294 V N 0.965 120.901 119.914 0.037 0.000 2.672 294 V HA 0.226 4.346 4.120 -0.000 0.000 0.242 294 V C 2.365 178.487 176.094 0.047 0.000 1.059 294 V CA 0.768 63.094 62.300 0.043 0.000 1.081 294 V CB -0.470 31.391 31.823 0.064 0.000 0.752 294 V HN 0.421 nan 8.190 nan 0.000 0.472 295 L N 0.013 121.270 121.223 0.057 0.000 2.313 295 L HA 0.057 4.397 4.340 -0.000 0.000 0.214 295 L C 0.874 177.761 176.870 0.028 0.000 1.119 295 L CA 0.833 55.711 54.840 0.064 0.000 0.809 295 L CB -0.104 42.001 42.059 0.077 0.000 0.933 295 L HN 0.346 nan 8.230 nan 0.000 0.449 296 D N -0.444 119.964 120.400 0.013 0.000 2.500 296 D HA 0.114 4.754 4.640 -0.000 0.000 0.219 296 D C -0.247 176.046 176.300 -0.011 0.000 1.137 296 D CA -0.193 53.802 54.000 -0.007 0.000 0.946 296 D CB 0.326 41.120 40.800 -0.009 0.000 1.022 296 D HN 0.019 nan 8.370 nan 0.000 0.518 297 C N 3.449 122.739 119.300 -0.016 0.000 2.557 297 C HA 0.241 4.701 4.460 -0.000 0.000 0.281 297 C C 0.872 175.847 174.990 -0.025 0.000 1.490 297 C CA -0.535 58.473 59.018 -0.017 0.000 1.771 297 C CB -1.659 26.072 27.740 -0.014 0.000 2.887 297 C HN 0.611 nan 8.230 nan 0.000 0.527 298 T N -1.178 113.354 114.554 -0.036 0.000 2.795 298 T HA 0.255 4.605 4.350 -0.000 0.000 0.314 298 T C 1.074 175.753 174.700 -0.033 0.000 1.069 298 T CA 0.200 62.272 62.100 -0.046 0.000 1.071 298 T CB 1.034 69.861 68.868 -0.069 0.000 0.988 298 T HN 0.510 nan 8.240 nan 0.000 0.543 299 V N -2.336 117.559 119.914 -0.031 0.000 3.578 299 V HA 0.348 4.468 4.120 -0.000 0.000 0.290 299 V C 0.683 176.764 176.094 -0.021 0.000 1.376 299 V CA 0.304 62.592 62.300 -0.021 0.000 1.083 299 V CB -0.966 30.849 31.823 -0.013 0.000 0.911 299 V HN 1.217 nan 8.190 nan 0.000 0.433 300 T N -2.078 112.458 114.554 -0.030 0.000 2.907 300 T HA 0.740 5.090 4.350 -0.000 0.000 0.292 300 T C -3.032 171.648 174.700 -0.034 0.000 1.043 300 T CA -2.083 59.999 62.100 -0.028 0.000 1.003 300 T CB 2.358 71.209 68.868 -0.029 0.000 1.084 300 T HN 0.080 nan 8.240 nan 0.000 0.483 304 S N 0.398 116.043 115.700 -0.091 0.000 2.368 304 S HA 0.112 4.582 4.470 -0.000 0.000 0.225 304 S C 1.629 176.187 174.600 -0.069 0.000 1.030 304 S CA 0.892 59.047 58.200 -0.074 0.000 0.999 304 S CB -0.205 62.969 63.200 -0.043 0.000 0.844 304 S HN 0.424 nan 8.310 nan 0.000 0.459 308 K N 0.143 120.534 120.400 -0.016 0.000 2.148 308 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 308 K C 1.909 178.633 176.600 0.207 0.000 1.050 308 K CA 1.732 58.081 56.287 0.104 0.000 0.942 308 K CB -0.079 32.488 32.500 0.112 0.000 0.724 308 K HN 0.295 nan 8.250 nan 0.000 0.446 309 R N -0.207 120.395 120.500 0.170 0.000 2.073 309 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 309 R C 2.058 178.581 176.300 0.371 0.000 1.134 309 R CA 1.570 57.822 56.100 0.254 0.000 0.952 309 R CB -0.216 30.227 30.300 0.238 0.000 0.850 309 R HN 0.279 nan 8.270 nan 0.000 0.433 310 W N 1.096 122.440 121.300 0.074 0.000 2.358 310 W HA -0.082 4.577 4.660 -0.000 0.000 0.303 310 W C 1.999 178.546 176.519 0.046 0.000 1.208 310 W CA 0.645 58.026 57.345 0.059 0.000 1.274 310 W CB -0.929 28.561 29.460 0.049 0.000 1.138 310 W HN 0.067 nan 8.180 nan 0.000 0.515 311 L N -1.298 120.078 121.223 0.254 0.000 2.083 311 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 311 L C 1.686 178.543 176.870 -0.022 0.000 1.083 311 L CA 1.032 55.916 54.840 0.072 0.000 0.752 311 L CB -0.977 41.062 42.059 -0.034 0.000 0.899 311 L HN -0.046 nan 8.230 nan 0.000 0.433 315 V N 2.409 122.310 119.914 -0.021 0.000 2.743 315 V HA 0.498 4.618 4.120 -0.000 0.000 0.301 315 V C 0.839 176.935 176.094 0.004 0.000 1.057 315 V CA -0.157 62.111 62.300 -0.053 0.000 1.006 315 V CB 1.664 33.415 31.823 -0.120 0.000 1.024 315 V HN 0.574 nan 8.190 nan 0.000 0.473 316 R N 1.512 121.975 120.500 -0.061 0.000 2.206 316 R HA 0.127 4.467 4.340 -0.000 0.000 0.198 316 R C 0.120 176.370 176.300 -0.084 0.000 0.986 316 R CA 0.323 56.375 56.100 -0.080 0.000 1.029 316 R CB -0.020 30.185 30.300 -0.157 0.000 0.966 316 R HN 0.926 nan 8.270 nan 0.000 0.487 317 D N 1.747 122.084 120.400 -0.105 0.000 2.368 317 D HA -0.062 4.578 4.640 -0.000 0.000 0.268 317 D C 1.134 177.327 176.300 -0.179 0.000 1.298 317 D CA 0.329 54.253 54.000 -0.126 0.000 0.938 317 D CB 1.140 41.878 40.800 -0.104 0.000 1.101 317 D HN 0.148 nan 8.370 nan 0.000 0.509 318 T N 1.518 115.922 114.554 -0.249 0.000 3.051 318 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 318 T C 1.757 176.341 174.700 -0.193 0.000 1.127 318 T CA 0.595 62.460 62.100 -0.392 0.000 1.107 318 T CB -0.043 68.497 68.868 -0.546 0.000 0.898 318 T HN 0.340 nan 8.240 nan 0.000 0.517 319 R N 0.410 120.835 120.500 -0.124 0.000 2.066 319 R HA 0.028 4.367 4.340 -0.000 0.000 0.232 319 R C 2.562 178.823 176.300 -0.065 0.000 1.131 319 R CA 1.369 57.426 56.100 -0.071 0.000 0.955 319 R CB -0.746 29.519 30.300 -0.059 0.000 0.851 319 R HN 0.289 nan 8.270 nan 0.000 0.432 320 V N 1.634 121.494 119.914 -0.090 0.000 2.295 320 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 320 V C 2.316 178.361 176.094 -0.083 0.000 1.049 320 V CA 1.768 64.010 62.300 -0.096 0.000 1.024 320 V CB -0.482 31.258 31.823 -0.139 0.000 0.648 320 V HN 0.283 nan 8.190 nan 0.000 0.447 321 L N -0.769 120.398 121.223 -0.093 0.000 2.012 321 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 321 L C 2.457 179.374 176.870 0.079 0.000 1.073 321 L CA 1.623 56.449 54.840 -0.022 0.000 0.748 321 L CB -0.705 41.300 42.059 -0.091 0.000 0.891 321 L HN 0.282 nan 8.230 nan 0.000 0.431 322 L N -0.483 120.785 121.223 0.075 0.000 2.079 322 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 322 L C 2.641 179.558 176.870 0.078 0.000 1.081 322 L CA 1.323 56.229 54.840 0.110 0.000 0.752 322 L CB -0.490 41.620 42.059 0.085 0.000 0.896 322 L HN 0.328 nan 8.230 nan 0.000 0.433 323 E N -0.284 119.941 120.200 0.041 0.000 2.072 323 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 323 E C 2.360 178.992 176.600 0.054 0.000 0.985 323 E CA 0.897 57.318 56.400 0.035 0.000 0.801 323 E CB -0.004 29.701 29.700 0.010 0.000 0.750 323 E HN 0.420 nan 8.360 nan 0.000 0.452 324 R N 0.723 121.256 120.500 0.054 0.000 2.081 324 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 324 R C 2.482 178.858 176.300 0.127 0.000 1.131 324 R CA 1.457 57.611 56.100 0.090 0.000 0.960 324 R CB -0.122 30.219 30.300 0.068 0.000 0.856 324 R HN 0.228 nan 8.270 nan 0.000 0.436 325 Q N 0.294 120.190 119.800 0.160 0.000 2.030 325 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 325 Q C 2.217 178.339 176.000 0.204 0.000 0.986 325 Q CA 1.587 57.539 55.803 0.249 0.000 0.843 325 Q CB -0.123 28.756 28.738 0.234 0.000 0.904 325 Q HN 0.415 nan 8.270 nan 0.000 0.420 326 Q N -0.182 119.697 119.800 0.131 0.000 2.077 326 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 326 Q C 2.186 178.223 176.000 0.063 0.000 0.989 326 Q CA 1.991 57.850 55.803 0.094 0.000 0.853 326 Q CB -0.086 28.689 28.738 0.061 0.000 0.907 326 Q HN 0.361 nan 8.270 nan 0.000 0.418 327 T N 1.031 115.614 114.554 0.049 0.000 2.652 327 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 327 T C 1.795 176.490 174.700 -0.008 0.000 1.039 327 T CA 1.233 63.343 62.100 0.016 0.000 1.153 327 T CB -0.288 68.601 68.868 0.034 0.000 0.863 327 T HN 0.226 nan 8.240 nan 0.000 0.428 328 I N 1.141 121.703 120.570 -0.013 0.000 2.113 328 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 328 I C 2.854 178.879 176.117 -0.153 0.000 1.064 328 I CA 1.780 63.005 61.300 -0.126 0.000 1.320 328 I CB -0.963 36.877 38.000 -0.266 0.000 1.028 328 I HN 0.366 nan 8.210 nan 0.000 0.406 329 G N 0.034 108.797 108.800 -0.062 0.000 2.422 329 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.218 329 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.218 329 G C 1.731 176.645 174.900 0.024 0.000 1.140 329 G CA 0.704 45.818 45.100 0.023 0.000 0.775 329 G HN 0.522 nan 8.290 nan 0.000 0.545 330 A N -0.119 122.709 122.820 0.014 0.000 2.123 330 A HA 0.398 4.718 4.320 -0.000 0.000 0.214 330 A C 2.088 179.677 177.584 0.008 0.000 1.152 330 A CA 0.380 52.423 52.037 0.011 0.000 0.728 330 A CB -0.092 18.888 19.000 -0.033 0.000 0.814 330 A HN 0.342 nan 8.150 nan 0.000 0.464 331 L N -0.854 120.368 121.223 -0.002 0.000 2.585 331 L HA 0.008 4.348 4.340 -0.000 0.000 0.226 331 L C 2.398 179.345 176.870 0.130 0.000 1.113 331 L CA 0.453 55.320 54.840 0.045 0.000 0.876 331 L CB -0.144 41.898 42.059 -0.029 0.000 1.072 331 L HN 0.586 nan 8.230 nan 0.000 0.468 332 Q N 1.049 120.856 119.800 0.010 0.000 2.082 332 Q HA -0.279 4.061 4.340 -0.000 0.000 0.211 332 Q C 0.673 176.542 176.000 -0.219 0.000 1.002 332 Q CA 2.333 58.027 55.803 -0.181 0.000 0.868 332 Q CB 0.030 28.577 28.738 -0.319 0.000 0.931 332 Q HN 0.467 nan 8.270 nan 0.000 0.414 333 D N -0.935 119.377 120.400 -0.147 0.000 2.324 333 D HA 0.002 4.641 4.640 -0.000 0.000 0.235 333 D C 0.380 176.405 176.300 -0.457 0.000 1.095 333 D CA 0.356 54.155 54.000 -0.334 0.000 0.871 333 D CB 0.069 40.609 40.800 -0.433 0.000 0.906 333 D HN 0.298 nan 8.370 nan 0.000 0.522 334 F N -0.357 119.532 119.950 -0.102 0.000 2.746 334 F HA 0.099 4.626 4.527 -0.000 0.000 0.313 334 F C 2.321 178.086 175.800 -0.058 0.000 1.095 334 F CA -0.001 57.959 58.000 -0.066 0.000 1.224 334 F CB 0.170 39.138 39.000 -0.055 0.000 1.060 334 F HN -0.195 nan 8.300 nan 0.000 0.584 335 T N 0.307 114.909 114.554 0.079 0.000 2.720 335 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 335 T C 2.345 177.055 174.700 0.017 0.000 1.037 335 T CA 1.678 63.798 62.100 0.034 0.000 1.144 335 T CB -0.330 68.536 68.868 -0.002 0.000 0.864 335 T HN 0.289 nan 8.240 nan 0.000 0.444 336 A N 0.987 123.804 122.820 -0.005 0.000 1.858 336 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 336 A C 2.593 180.178 177.584 0.002 0.000 1.190 336 A CA 2.004 54.037 52.037 -0.006 0.000 0.617 336 A CB -1.325 17.662 19.000 -0.021 0.000 0.827 336 A HN 0.532 nan 8.150 nan 0.000 0.443 337 G N -1.032 107.770 108.800 0.003 0.000 2.443 337 G HA2 0.013 3.973 3.960 -0.000 0.000 0.219 337 G HA3 0.013 3.973 3.960 -0.000 0.000 0.219 337 G C 1.349 176.269 174.900 0.033 0.000 1.131 337 G CA 0.980 46.089 45.100 0.015 0.000 0.775 337 G HN 0.323 nan 8.290 nan 0.000 0.547 338 L N 0.365 121.616 121.223 0.048 0.000 2.068 338 L HA 0.078 4.418 4.340 -0.000 0.000 0.204 338 L C 2.988 179.871 176.870 0.021 0.000 1.076 338 L CA 1.317 56.183 54.840 0.043 0.000 0.753 338 L CB -1.131 40.960 42.059 0.055 0.000 0.910 338 L HN 0.290 nan 8.230 nan 0.000 0.439 339 Q N -0.471 119.338 119.800 0.016 0.000 2.061 339 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 339 Q C -0.354 175.650 176.000 0.006 0.000 0.984 339 Q CA 1.944 57.751 55.803 0.006 0.000 0.846 339 Q CB -1.176 27.564 28.738 0.002 0.000 0.902 339 Q HN 0.414 nan 8.270 nan 0.000 0.421 340 P HA -0.119 nan 4.420 nan 0.000 0.218 340 P C 1.340 178.646 177.300 0.010 0.000 1.149 340 P CA 1.056 64.162 63.100 0.010 0.000 0.817 340 P CB 0.046 31.752 31.700 0.010 0.000 0.785 341 V N -0.642 119.276 119.914 0.006 0.000 2.407 341 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 341 V C 2.453 178.543 176.094 -0.007 0.000 1.041 341 V CA 1.348 63.646 62.300 -0.003 0.000 1.040 341 V CB -1.146 30.677 31.823 0.000 0.000 0.671 341 V HN 0.064 nan 8.190 nan 0.000 0.455 342 L N -0.050 121.172 121.223 -0.001 0.000 2.083 342 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 342 L C 2.773 179.640 176.870 -0.004 0.000 1.083 342 L CA 1.910 56.747 54.840 -0.004 0.000 0.752 342 L CB -0.513 41.544 42.059 -0.004 0.000 0.899 342 L HN 0.321 nan 8.230 nan 0.000 0.433 343 R N -0.202 120.299 120.500 0.001 0.000 2.117 343 R HA -0.222 4.118 4.340 -0.000 0.000 0.243 343 R C 2.140 178.452 176.300 0.020 0.000 1.143 343 R CA 1.466 57.569 56.100 0.006 0.000 0.968 343 R CB -0.027 30.279 30.300 0.010 0.000 0.863 343 R HN 0.367 nan 8.270 nan 0.000 0.444 344 Q N -0.128 119.688 119.800 0.027 0.000 2.436 344 Q HA -0.042 4.298 4.340 -0.000 0.000 0.209 344 Q C 2.044 178.068 176.000 0.041 0.000 0.965 344 Q CA 0.703 56.548 55.803 0.070 0.000 0.910 344 Q CB 0.163 28.926 28.738 0.042 0.000 0.980 344 Q HN 0.279 nan 8.270 nan 0.000 0.491 345 V N -0.006 119.906 119.914 -0.005 0.000 2.515 345 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 345 V C 1.360 177.441 176.094 -0.022 0.000 1.058 345 V CA 1.415 63.700 62.300 -0.025 0.000 1.064 345 V CB -0.989 30.820 31.823 -0.022 0.000 0.675 345 V HN 0.574 nan 8.190 nan 0.000 0.461 346 G N 0.368 109.163 108.800 -0.009 0.000 2.645 346 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.239 346 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.239 346 G C -0.164 174.719 174.900 -0.029 0.000 1.331 346 G CA 0.179 45.270 45.100 -0.015 0.000 0.890 346 G HN 0.382 nan 8.290 nan 0.000 0.572 347 D N 0.501 120.882 120.400 -0.032 0.000 2.896 347 D HA 0.320 4.960 4.640 -0.000 0.000 0.240 347 D C 1.870 178.143 176.300 -0.044 0.000 1.193 347 D CA -0.385 53.594 54.000 -0.034 0.000 0.983 347 D CB 0.159 40.941 40.800 -0.030 0.000 1.074 347 D HN 0.420 nan 8.370 nan 0.000 0.496 348 L N 1.689 122.880 121.223 -0.053 0.000 2.127 348 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 348 L C 1.975 178.813 176.870 -0.053 0.000 1.089 348 L CA 1.777 56.573 54.840 -0.075 0.000 0.757 348 L CB -0.295 41.713 42.059 -0.084 0.000 0.899 348 L HN 0.345 nan 8.230 nan 0.000 0.434 349 E N -0.556 119.626 120.200 -0.030 0.000 2.033 349 E HA -0.282 4.067 4.350 -0.000 0.000 0.199 349 E C 2.264 178.851 176.600 -0.022 0.000 1.011 349 E CA 1.710 58.102 56.400 -0.013 0.000 0.815 349 E CB -0.088 29.610 29.700 -0.002 0.000 0.755 349 E HN 0.506 nan 8.360 nan 0.000 0.451 350 R N -0.199 120.284 120.500 -0.029 0.000 2.148 350 R HA -0.015 4.325 4.340 -0.000 0.000 0.223 350 R C 2.486 178.755 176.300 -0.051 0.000 1.088 350 R CA 0.816 56.894 56.100 -0.036 0.000 0.985 350 R CB -0.172 30.109 30.300 -0.031 0.000 0.880 350 R HN 0.305 nan 8.270 nan 0.000 0.451 351 I N 0.595 121.135 120.570 -0.051 0.000 2.226 351 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 351 I C 1.884 177.964 176.117 -0.061 0.000 1.100 351 I CA 0.923 62.191 61.300 -0.053 0.000 1.374 351 I CB -0.130 37.833 38.000 -0.063 0.000 1.057 351 I HN 0.067 nan 8.210 nan 0.000 0.413 352 L N 0.667 121.850 121.223 -0.065 0.000 2.079 352 L HA -0.217 4.122 4.340 -0.000 0.000 0.210 352 L C 2.671 179.468 176.870 -0.122 0.000 1.081 352 L CA 2.126 56.926 54.840 -0.067 0.000 0.752 352 L CB -1.405 40.631 42.059 -0.039 0.000 0.896 352 L HN 0.239 nan 8.230 nan 0.000 0.433 353 A N -0.772 121.959 122.820 -0.149 0.000 1.908 353 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 353 A C 2.446 179.863 177.584 -0.279 0.000 1.181 353 A CA 1.692 53.552 52.037 -0.295 0.000 0.627 353 A CB -0.451 18.431 19.000 -0.196 0.000 0.818 353 A HN 0.401 nan 8.150 nan 0.000 0.445 354 R N -1.284 119.120 120.500 -0.160 0.000 2.148 354 R HA -0.015 4.324 4.340 -0.000 0.000 0.223 354 R C 2.036 178.243 176.300 -0.155 0.000 1.088 354 R CA 1.037 57.057 56.100 -0.133 0.000 0.985 354 R CB -0.427 29.839 30.300 -0.057 0.000 0.880 354 R HN 0.505 nan 8.270 nan 0.000 0.451 355 L N 0.827 121.982 121.223 -0.114 0.000 2.027 355 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 355 L C 2.249 178.978 176.870 -0.235 0.000 1.074 355 L CA 1.966 56.745 54.840 -0.102 0.000 0.745 355 L CB -0.644 41.417 42.059 0.003 0.000 0.898 355 L HN 0.087 nan 8.230 nan 0.000 0.433 356 A N -1.028 121.658 122.820 -0.224 0.000 1.972 356 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 356 A C 1.961 179.392 177.584 -0.256 0.000 1.169 356 A CA 1.717 53.614 52.037 -0.234 0.000 0.635 356 A CB -0.670 18.127 19.000 -0.339 0.000 0.810 356 A HN 0.424 nan 8.150 nan 0.000 0.446 357 L N -1.466 119.581 121.223 -0.294 0.000 2.592 357 L HA 0.224 4.564 4.340 -0.000 0.000 0.227 357 L C 0.936 177.634 176.870 -0.288 0.000 1.127 357 L CA 0.683 55.379 54.840 -0.240 0.000 0.884 357 L CB -0.778 41.160 42.059 -0.203 0.000 1.065 357 L HN 0.454 nan 8.230 nan 0.000 0.457 358 R N -0.886 119.334 120.500 -0.466 0.000 3.656 358 R HA -0.177 4.163 4.340 -0.000 0.000 0.297 358 R C 0.732 176.765 176.300 -0.445 0.000 1.166 358 R CA 0.887 56.523 56.100 -0.774 0.000 0.799 358 R CB -2.723 27.246 30.300 -0.550 0.000 1.285 358 R HN 0.494 nan 8.270 nan 0.000 0.477 359 T N -3.756 110.650 114.554 -0.246 0.000 3.040 359 T HA 0.458 4.808 4.350 -0.000 0.000 0.266 359 T C 0.808 175.553 174.700 0.075 0.000 1.005 359 T CA 0.254 62.323 62.100 -0.050 0.000 0.906 359 T CB 0.638 69.468 68.868 -0.064 0.000 1.082 359 T HN 0.450 nan 8.240 nan 0.000 0.531 360 A N 2.226 125.123 122.820 0.128 0.000 2.561 360 A HA 0.453 4.773 4.320 -0.000 0.000 0.234 360 A C 0.488 178.280 177.584 0.347 0.000 1.055 360 A CA -0.121 52.062 52.037 0.242 0.000 0.756 360 A CB 0.114 19.316 19.000 0.336 0.000 0.986 360 A HN 0.606 nan 8.150 nan 0.000 0.505 361 R N 2.266 122.891 120.500 0.209 0.000 2.782 361 R HA 0.368 4.708 4.340 -0.000 0.000 0.258 361 R C -2.036 174.366 176.300 0.169 0.000 1.055 361 R CA -1.947 54.255 56.100 0.170 0.000 1.065 361 R CB 0.330 30.669 30.300 0.064 0.000 1.172 361 R HN 0.364 nan 8.270 nan 0.000 0.510 362 P HA -0.177 nan 4.420 nan 0.000 0.217 362 P C 0.613 177.944 177.300 0.051 0.000 1.151 362 P CA 1.525 64.678 63.100 0.089 0.000 0.849 362 P CB 0.162 31.838 31.700 -0.041 0.000 0.787 363 R N -0.977 119.534 120.500 0.019 0.000 2.189 363 R HA -0.051 4.289 4.340 -0.000 0.000 0.218 363 R C 1.686 177.983 176.300 -0.005 0.000 1.074 363 R CA 0.858 56.955 56.100 -0.004 0.000 0.991 363 R CB -0.620 29.669 30.300 -0.018 0.000 0.883 363 R HN 0.280 nan 8.270 nan 0.000 0.457 364 D N 1.207 121.618 120.400 0.018 0.000 2.084 364 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 364 D C 2.020 178.310 176.300 -0.016 0.000 0.990 364 D CA 1.151 55.155 54.000 0.006 0.000 0.826 364 D CB -0.064 40.762 40.800 0.043 0.000 0.971 364 D HN 0.177 nan 8.370 nan 0.000 0.453 365 L N 0.783 122.011 121.223 0.008 0.000 2.083 365 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 365 L C 2.647 179.491 176.870 -0.044 0.000 1.083 365 L CA 0.960 55.780 54.840 -0.033 0.000 0.752 365 L CB -0.541 41.490 42.059 -0.046 0.000 0.899 365 L HN -0.039 nan 8.230 nan 0.000 0.433 366 A N 0.133 122.940 122.820 -0.021 0.000 1.902 366 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 366 A C 1.668 179.232 177.584 -0.033 0.000 1.181 366 A CA 0.890 52.913 52.037 -0.024 0.000 0.623 366 A CB -0.351 18.634 19.000 -0.026 0.000 0.818 366 A HN 0.301 nan 8.150 nan 0.000 0.443 370 H N 0.537 119.551 119.070 -0.093 0.000 2.352 370 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 370 H C 1.514 176.808 175.328 -0.057 0.000 1.097 370 H CA 2.017 58.034 56.048 -0.051 0.000 1.311 370 H CB 0.322 30.053 29.762 -0.052 0.000 1.377 370 H HN 0.421 nan 8.280 nan 0.000 0.504 371 A N 0.718 123.456 122.820 -0.137 0.000 1.902 371 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 371 A C 2.090 179.635 177.584 -0.065 0.000 1.181 371 A CA 1.166 53.105 52.037 -0.165 0.000 0.623 371 A CB -0.905 17.964 19.000 -0.218 0.000 0.818 371 A HN 0.330 nan 8.150 nan 0.000 0.443 372 F N 0.390 120.329 119.950 -0.018 0.000 2.202 372 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 372 F C 2.541 178.338 175.800 -0.005 0.000 1.082 372 F CA 1.316 59.327 58.000 0.019 0.000 1.313 372 F CB -0.984 38.036 39.000 0.032 0.000 1.024 372 F HN 0.352 nan 8.300 nan 0.000 0.495 373 Q N -0.481 119.390 119.800 0.117 0.000 2.364 373 Q HA -0.156 4.184 4.340 -0.000 0.000 0.207 373 Q C 1.860 177.843 176.000 -0.027 0.000 0.970 373 Q CA 0.805 56.623 55.803 0.025 0.000 0.888 373 Q CB -0.097 28.621 28.738 -0.032 0.000 0.951 373 Q HN 0.416 nan 8.270 nan 0.000 0.469 374 Q N -0.099 119.672 119.800 -0.047 0.000 2.398 374 Q HA 0.046 4.386 4.340 -0.000 0.000 0.204 374 Q C 2.034 178.043 176.000 0.015 0.000 0.932 374 Q CA 0.401 56.177 55.803 -0.044 0.000 0.916 374 Q CB 0.166 28.859 28.738 -0.075 0.000 1.024 374 Q HN 0.426 nan 8.270 nan 0.000 0.504 375 L N 1.035 122.297 121.223 0.066 0.000 1.990 375 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 375 L C -0.482 176.412 176.870 0.040 0.000 1.072 375 L CA 1.719 56.607 54.840 0.080 0.000 0.755 375 L CB -1.923 40.225 42.059 0.148 0.000 0.889 375 L HN 0.148 nan 8.230 nan 0.000 0.432 376 P HA -0.187 nan 4.420 nan 0.000 0.216 376 P C 1.331 178.638 177.300 0.010 0.000 1.153 376 P CA 1.180 64.286 63.100 0.011 0.000 0.848 376 P CB 0.096 31.800 31.700 0.008 0.000 0.787 377 E N -0.022 120.184 120.200 0.010 0.000 2.077 377 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 377 E C 1.890 178.500 176.600 0.017 0.000 0.989 377 E CA 1.248 57.654 56.400 0.011 0.000 0.800 377 E CB -1.252 28.451 29.700 0.005 0.000 0.746 377 E HN 0.122 nan 8.360 nan 0.000 0.452 378 L N -0.044 121.189 121.223 0.016 0.000 2.083 378 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 378 L C 2.714 179.592 176.870 0.012 0.000 1.083 378 L CA 1.336 56.187 54.840 0.018 0.000 0.752 378 L CB -0.382 41.689 42.059 0.020 0.000 0.899 378 L HN 0.103 nan 8.230 nan 0.000 0.433 379 R N -0.012 120.494 120.500 0.009 0.000 2.083 379 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 379 R C 2.411 178.712 176.300 0.001 0.000 1.137 379 R CA 1.518 57.617 56.100 -0.001 0.000 0.951 379 R CB -0.545 29.751 30.300 -0.007 0.000 0.851 379 R HN 0.366 nan 8.270 nan 0.000 0.434 380 A N 1.049 123.876 122.820 0.011 0.000 1.898 380 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 380 A C 2.041 179.649 177.584 0.040 0.000 1.181 380 A CA 1.102 53.151 52.037 0.020 0.000 0.620 380 A CB -0.331 18.681 19.000 0.020 0.000 0.819 380 A HN 0.326 nan 8.150 nan 0.000 0.442 381 Q N -0.709 119.121 119.800 0.051 0.000 2.167 381 Q HA -0.005 4.334 4.340 -0.000 0.000 0.202 381 Q C 1.703 177.755 176.000 0.087 0.000 0.970 381 Q CA 1.102 56.967 55.803 0.103 0.000 0.855 381 Q CB -0.177 28.625 28.738 0.106 0.000 0.911 381 Q HN 0.668 nan 8.270 nan 0.000 0.438 382 L N 0.236 121.454 121.223 -0.009 0.000 2.529 382 L HA -0.011 4.329 4.340 -0.000 0.000 0.223 382 L C 2.292 179.095 176.870 -0.111 0.000 1.113 382 L CA 0.149 54.917 54.840 -0.119 0.000 0.861 382 L CB -0.202 41.798 42.059 -0.098 0.000 1.012 382 L HN 0.260 nan 8.230 nan 0.000 0.461 383 E N 0.585 120.763 120.200 -0.036 0.000 2.130 383 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 383 E C 1.527 178.115 176.600 -0.020 0.000 0.998 383 E CA 1.949 58.335 56.400 -0.022 0.000 0.806 383 E CB 0.075 29.776 29.700 0.003 0.000 0.738 383 E HN 0.323 nan 8.360 nan 0.000 0.459 384 T N 0.574 115.136 114.554 0.013 0.000 3.054 384 T HA 0.074 4.424 4.350 -0.000 0.000 0.259 384 T C 0.402 175.094 174.700 -0.013 0.000 1.092 384 T CA 0.219 62.353 62.100 0.057 0.000 1.121 384 T CB 0.258 69.238 68.868 0.186 0.000 0.912 384 T HN -0.029 nan 8.240 nan 0.000 0.489 385 V N 3.426 123.191 119.914 -0.248 0.000 2.509 385 V HA 0.007 4.127 4.120 -0.000 0.000 0.297 385 V C 0.399 176.392 176.094 -0.169 0.000 1.014 385 V CA -0.281 61.768 62.300 -0.419 0.000 1.127 385 V CB 0.222 31.632 31.823 -0.688 0.000 0.925 385 V HN 0.331 nan 8.190 nan 0.000 0.480 386 D N 4.233 124.584 120.400 -0.082 0.000 2.483 386 D HA 0.356 4.996 4.640 -0.000 0.000 0.220 386 D C -0.173 176.101 176.300 -0.043 0.000 1.173 386 D CA 0.403 54.381 54.000 -0.037 0.000 0.964 386 D CB 0.354 41.156 40.800 0.005 0.000 1.046 386 D HN 0.570 nan 8.370 nan 0.000 0.517 387 S N 2.128 117.795 115.700 -0.056 0.000 2.584 387 S HA 0.493 4.963 4.470 -0.000 0.000 0.282 387 S C 0.713 175.290 174.600 -0.038 0.000 1.138 387 S CA -0.118 58.056 58.200 -0.043 0.000 0.987 387 S CB 0.576 63.737 63.200 -0.065 0.000 1.137 387 S HN 0.327 nan 8.310 nan 0.000 0.457 388 A N 6.346 129.154 122.820 -0.020 0.000 1.883 388 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 388 A C -0.765 176.810 177.584 -0.015 0.000 1.186 388 A CA 1.821 53.849 52.037 -0.016 0.000 0.624 388 A CB -1.718 17.278 19.000 -0.008 0.000 0.822 388 A HN 0.652 nan 8.150 nan 0.000 0.444 389 P HA -0.103 nan 4.420 nan 0.000 0.215 389 P C 1.607 178.901 177.300 -0.010 0.000 1.153 389 P CA 1.323 64.423 63.100 -0.001 0.000 0.853 389 P CB -0.178 31.529 31.700 0.011 0.000 0.788 390 V N -0.100 119.795 119.914 -0.032 0.000 2.343 390 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 390 V C 2.513 178.575 176.094 -0.052 0.000 1.051 390 V CA 1.732 63.998 62.300 -0.056 0.000 1.036 390 V CB -1.210 30.546 31.823 -0.113 0.000 0.654 390 V HN 0.121 nan 8.190 nan 0.000 0.451 391 Q N -0.111 119.659 119.800 -0.050 0.000 2.170 391 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 391 Q C 2.385 178.370 176.000 -0.024 0.000 0.976 391 Q CA 1.855 57.633 55.803 -0.040 0.000 0.858 391 Q CB -0.732 27.985 28.738 -0.036 0.000 0.907 391 Q HN 0.672 nan 8.270 nan 0.000 0.433 392 A N 0.629 123.440 122.820 -0.014 0.000 1.873 392 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 392 A C 2.255 179.843 177.584 0.005 0.000 1.186 392 A CA 0.929 52.965 52.037 -0.002 0.000 0.616 392 A CB -0.704 18.299 19.000 0.005 0.000 0.823 392 A HN 0.318 nan 8.150 nan 0.000 0.442 393 L N -0.887 120.341 121.223 0.008 0.000 2.079 393 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 393 L C 2.780 179.657 176.870 0.012 0.000 1.081 393 L CA 1.765 56.617 54.840 0.019 0.000 0.752 393 L CB -0.447 41.624 42.059 0.020 0.000 0.896 393 L HN 0.470 nan 8.230 nan 0.000 0.433 394 R N 0.299 120.795 120.500 -0.007 0.000 2.073 394 R HA -0.236 4.103 4.340 -0.000 0.000 0.234 394 R C 2.249 178.543 176.300 -0.011 0.000 1.134 394 R CA 1.883 57.976 56.100 -0.012 0.000 0.952 394 R CB -0.039 30.243 30.300 -0.030 0.000 0.850 394 R HN 0.237 nan 8.270 nan 0.000 0.433 395 E N 0.875 121.066 120.200 -0.014 0.000 2.072 395 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 395 E C 0.451 177.044 176.600 -0.012 0.000 0.985 395 E CA 1.104 57.490 56.400 -0.023 0.000 0.801 395 E CB 0.005 29.692 29.700 -0.022 0.000 0.750 395 E HN 0.124 nan 8.360 nan 0.000 0.452 399 E N -1.426 118.449 120.200 -0.540 0.000 2.684 399 E HA 0.271 4.621 4.350 -0.000 0.000 0.204 399 E C -0.107 176.368 176.600 -0.209 0.000 0.900 399 E CA -0.275 55.982 56.400 -0.239 0.000 1.481 399 E CB 0.685 30.260 29.700 -0.209 0.000 1.468 399 E HN 0.422 nan 8.360 nan 0.000 0.778 400 F N 1.110 120.895 119.950 -0.275 0.000 2.969 400 F HA -0.280 4.247 4.527 -0.000 0.000 0.273 400 F C 1.351 176.877 175.800 -0.457 0.000 0.986 400 F CA 0.162 57.873 58.000 -0.482 0.000 0.926 400 F CB -1.794 36.687 39.000 -0.865 0.000 0.887 400 F HN 0.218 nan 8.300 nan 0.000 0.816 401 A N -0.401 122.306 122.820 -0.188 0.000 1.940 401 A HA -0.194 4.125 4.320 -0.000 0.000 0.219 401 A C 2.226 179.744 177.584 -0.110 0.000 1.176 401 A CA 1.883 53.846 52.037 -0.123 0.000 0.631 401 A CB -0.189 18.755 19.000 -0.094 0.000 0.814 401 A HN 0.547 nan 8.150 nan 0.000 0.446 402 E N 0.313 120.437 120.200 -0.125 0.000 2.028 402 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 402 E C 2.124 178.677 176.600 -0.080 0.000 0.988 402 E CA 1.167 57.517 56.400 -0.083 0.000 0.799 402 E CB -0.552 29.099 29.700 -0.082 0.000 0.755 402 E HN 0.687 nan 8.360 nan 0.000 0.447 403 L N 0.599 121.726 121.223 -0.161 0.000 2.046 403 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 403 L C 2.887 179.720 176.870 -0.063 0.000 1.077 403 L CA 1.188 55.944 54.840 -0.141 0.000 0.747 403 L CB -0.615 41.251 42.059 -0.322 0.000 0.896 403 L HN 0.100 nan 8.230 nan 0.000 0.432 404 R N 0.865 121.276 120.500 -0.147 0.000 2.080 404 R HA -0.252 4.088 4.340 -0.000 0.000 0.236 404 R C 1.972 178.312 176.300 0.067 0.000 1.137 404 R CA 2.465 58.607 56.100 0.071 0.000 0.943 404 R CB -0.332 29.991 30.300 0.039 0.000 0.846 404 R HN 0.384 nan 8.270 nan 0.000 0.431 405 D N -0.070 120.342 120.400 0.020 0.000 2.117 405 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 405 D C 2.067 178.393 176.300 0.044 0.000 0.987 405 D CA 1.184 55.203 54.000 0.032 0.000 0.829 405 D CB -0.040 40.772 40.800 0.019 0.000 0.961 405 D HN 0.243 nan 8.370 nan 0.000 0.460 406 L N 0.179 121.427 121.223 0.042 0.000 1.989 406 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 406 L C 2.083 178.948 176.870 -0.007 0.000 1.071 406 L CA 1.621 56.491 54.840 0.050 0.000 0.749 406 L CB -0.517 41.575 42.059 0.056 0.000 0.890 406 L HN 0.205 nan 8.230 nan 0.000 0.431 407 L N -0.738 120.496 121.223 0.018 0.000 2.201 407 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 407 L C 2.486 179.346 176.870 -0.018 0.000 1.105 407 L CA 1.105 55.940 54.840 -0.009 0.000 0.775 407 L CB -0.618 41.483 42.059 0.070 0.000 0.913 407 L HN 0.387 nan 8.230 nan 0.000 0.440 408 E N 0.055 120.267 120.200 0.020 0.000 2.106 408 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 408 E C 2.276 178.875 176.600 -0.001 0.000 0.984 408 E CA 0.906 57.319 56.400 0.022 0.000 0.806 408 E CB 0.070 29.796 29.700 0.044 0.000 0.750 408 E HN 0.454 nan 8.360 nan 0.000 0.458 409 R N -0.116 120.379 120.500 -0.008 0.000 2.140 409 R HA 0.123 4.463 4.340 -0.000 0.000 0.213 409 R C 2.127 178.344 176.300 -0.139 0.000 1.059 409 R CA 0.783 56.896 56.100 0.022 0.000 1.000 409 R CB 0.118 30.510 30.300 0.155 0.000 0.910 409 R HN 0.039 nan 8.270 nan 0.000 0.455 410 A N 0.763 123.327 122.820 -0.426 0.000 1.935 410 A HA 0.173 4.493 4.320 -0.000 0.000 0.214 410 A C 1.016 178.347 177.584 -0.421 0.000 1.178 410 A CA 0.554 52.019 52.037 -0.954 0.000 0.640 410 A CB 0.262 18.613 19.000 -1.082 0.000 0.825 410 A HN 0.059 nan 8.150 nan 0.000 0.447 411 I N 0.875 121.317 120.570 -0.214 0.000 2.530 411 I HA 0.327 4.497 4.170 -0.000 0.000 0.297 411 I C -0.031 176.055 176.117 -0.053 0.000 1.011 411 I CA -1.128 60.111 61.300 -0.101 0.000 1.107 411 I CB 1.970 39.931 38.000 -0.064 0.000 1.285 411 I HN 0.415 nan 8.210 nan 0.000 0.436 412 I N 0.695 121.247 120.570 -0.030 0.000 3.060 412 I HA 0.153 4.323 4.170 -0.000 0.000 0.285 412 I C 0.725 176.834 176.117 -0.014 0.000 1.190 412 I CA -0.186 61.105 61.300 -0.015 0.000 1.363 412 I CB 0.431 38.425 38.000 -0.009 0.000 1.396 412 I HN 0.518 nan 8.210 nan 0.000 0.607 413 D N 1.768 122.163 120.400 -0.008 0.000 2.126 413 D HA -0.158 4.482 4.640 -0.000 0.000 0.190 413 D C 0.979 177.264 176.300 -0.024 0.000 1.001 413 D CA 2.512 56.506 54.000 -0.010 0.000 0.841 413 D CB -0.294 40.501 40.800 -0.007 0.000 0.949 413 D HN 0.883 nan 8.370 nan 0.000 0.446 414 T N -1.289 113.250 114.554 -0.025 0.000 3.209 414 T HA 0.411 4.761 4.350 -0.000 0.000 0.366 414 T C -2.725 171.958 174.700 -0.028 0.000 1.293 414 T CA -1.555 60.525 62.100 -0.033 0.000 1.417 414 T CB 1.985 70.832 68.868 -0.035 0.000 1.013 414 T HN -0.144 nan 8.240 nan 0.000 0.572 415 P HA 0.364 nan 4.420 nan 0.000 0.272 415 P C -2.467 174.813 177.300 -0.033 0.000 1.240 415 P CA -1.242 61.840 63.100 -0.030 0.000 0.791 415 P CB 0.158 31.842 31.700 -0.026 0.000 0.978 416 P HA 0.025 nan 4.420 nan 0.000 0.274 416 P C 1.160 178.435 177.300 -0.042 0.000 1.256 416 P CA -0.279 62.798 63.100 -0.039 0.000 0.795 416 P CB 0.640 32.314 31.700 -0.043 0.000 1.038 417 V N -0.013 119.880 119.914 -0.034 0.000 2.332 417 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 417 V C 1.420 177.490 176.094 -0.041 0.000 1.055 417 V CA 1.772 64.054 62.300 -0.029 0.000 1.038 417 V CB -0.845 30.966 31.823 -0.019 0.000 0.651 417 V HN 0.351 nan 8.190 nan 0.000 0.450 418 L N -0.943 120.247 121.223 -0.056 0.000 2.322 418 L HA 0.396 4.736 4.340 -0.000 0.000 0.269 418 L C 0.976 177.758 176.870 -0.146 0.000 1.012 418 L CA -0.471 54.320 54.840 -0.082 0.000 0.815 418 L CB 1.627 43.655 42.059 -0.051 0.000 1.295 418 L HN 0.001 nan 8.230 nan 0.000 0.438 419 V N -2.104 117.674 119.914 -0.226 0.000 3.354 419 V HA 0.057 4.177 4.120 -0.000 0.000 0.258 419 V C 2.220 178.208 176.094 -0.177 0.000 1.159 419 V CA 0.404 62.515 62.300 -0.315 0.000 1.125 419 V CB -0.674 30.791 31.823 -0.596 0.000 0.774 419 V HN 0.876 nan 8.190 nan 0.000 0.464 420 R N 1.213 121.643 120.500 -0.117 0.000 2.159 420 R HA -0.242 4.098 4.340 -0.000 0.000 0.252 420 R C 1.333 177.599 176.300 -0.056 0.000 1.144 420 R CA 2.513 58.574 56.100 -0.065 0.000 0.961 420 R CB -0.302 29.976 30.300 -0.036 0.000 0.877 420 R HN 0.589 nan 8.270 nan 0.000 0.444 421 D N -0.448 119.918 120.400 -0.056 0.000 2.358 421 D HA 0.156 4.796 4.640 -0.000 0.000 0.224 421 D C 0.785 177.055 176.300 -0.050 0.000 1.123 421 D CA 0.797 54.771 54.000 -0.044 0.000 0.833 421 D CB 0.443 41.224 40.800 -0.032 0.000 0.946 421 D HN 0.505 nan 8.370 nan 0.000 0.505 422 G N 0.841 109.601 108.800 -0.068 0.000 2.692 422 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.248 422 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.248 422 G C 0.790 175.658 174.900 -0.053 0.000 1.340 422 G CA 0.086 45.150 45.100 -0.061 0.000 0.896 422 G HN 0.828 nan 8.290 nan 0.000 0.570 423 G N -3.168 105.613 108.800 -0.032 0.000 2.182 423 G HA2 0.099 4.059 3.960 -0.000 0.000 0.248 423 G HA3 0.099 4.059 3.960 -0.000 0.000 0.248 423 G C 1.464 176.345 174.900 -0.031 0.000 1.042 423 G CA 1.697 46.783 45.100 -0.023 0.000 0.775 423 G HN 2.506 nan 8.290 nan 0.000 0.501 424 V N -2.739 117.153 119.914 -0.038 0.000 3.151 424 V HA 0.505 4.625 4.120 -0.000 0.000 0.241 424 V C 1.249 177.336 176.094 -0.011 0.000 1.173 424 V CA 0.328 62.605 62.300 -0.038 0.000 1.154 424 V CB 0.059 31.829 31.823 -0.089 0.000 0.898 424 V HN 0.265 nan 8.190 nan 0.000 0.473 425 I N 3.065 123.640 120.570 0.008 0.000 2.533 425 I HA 0.497 4.667 4.170 -0.000 0.000 0.284 425 I C 1.073 177.205 176.117 0.025 0.000 1.109 425 I CA 0.219 61.529 61.300 0.015 0.000 1.412 425 I CB 0.148 38.197 38.000 0.082 0.000 1.396 425 I HN 0.414 nan 8.210 nan 0.000 0.543 426 A N 5.767 128.586 122.820 -0.002 0.000 2.386 426 A HA 0.372 4.692 4.320 -0.000 0.000 0.246 426 A C 0.662 178.296 177.584 0.083 0.000 1.089 426 A CA -0.296 51.758 52.037 0.028 0.000 0.790 426 A CB 0.123 19.128 19.000 0.008 0.000 1.042 426 A HN 0.838 nan 8.150 nan 0.000 0.497 427 S N -0.301 115.441 115.700 0.071 0.000 2.584 427 S HA 0.531 5.000 4.470 -0.000 0.000 0.273 427 S C 0.976 175.632 174.600 0.094 0.000 1.311 427 S CA 0.301 58.550 58.200 0.080 0.000 1.034 427 S CB 0.953 64.186 63.200 0.054 0.000 0.939 427 S HN 2.580 nan 8.310 nan 0.000 0.513 428 G N 1.389 110.246 108.800 0.095 0.000 2.175 428 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.244 428 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.244 428 G C 0.313 175.286 174.900 0.123 0.000 0.982 428 G CA 0.462 45.612 45.100 0.083 0.000 0.641 428 G HN 1.010 nan 8.290 nan 0.000 0.527 429 Y N 1.377 121.690 120.300 0.021 0.000 2.397 429 Y HA 0.430 4.980 4.550 -0.000 0.000 0.292 429 Y C 0.914 176.828 175.900 0.024 0.000 1.115 429 Y CA 1.117 59.230 58.100 0.023 0.000 1.208 429 Y CB 0.338 38.814 38.460 0.027 0.000 1.046 429 Y HN 0.369 nan 8.280 nan 0.000 0.552 430 N N -0.113 118.576 118.700 -0.017 0.000 2.425 430 N HA 0.117 4.857 4.740 -0.000 0.000 0.289 430 N C 0.104 175.607 175.510 -0.010 0.000 1.074 430 N CA -0.297 52.702 53.050 -0.085 0.000 0.905 430 N CB 1.343 39.810 38.487 -0.032 0.000 1.586 430 N HN 0.126 nan 8.380 nan 0.000 0.490 431 E N 1.734 121.912 120.200 -0.037 0.000 2.028 431 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 431 E C 0.647 177.225 176.600 -0.036 0.000 0.988 431 E CA 1.218 57.597 56.400 -0.035 0.000 0.799 431 E CB 0.175 29.845 29.700 -0.051 0.000 0.755 431 E HN 0.663 nan 8.360 nan 0.000 0.447 432 E N 0.282 120.472 120.200 -0.016 0.000 2.065 432 E HA -0.258 4.092 4.350 -0.000 0.000 0.201 432 E C 2.221 178.873 176.600 0.088 0.000 1.016 432 E CA 1.295 57.696 56.400 0.002 0.000 0.818 432 E CB -0.247 29.532 29.700 0.132 0.000 0.749 432 E HN 0.198 nan 8.360 nan 0.000 0.453 433 L N 1.857 123.177 121.223 0.162 0.000 2.012 433 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 433 L C 1.572 178.527 176.870 0.141 0.000 1.073 433 L CA 2.022 56.987 54.840 0.209 0.000 0.748 433 L CB -0.526 41.633 42.059 0.166 0.000 0.891 433 L HN -0.019 nan 8.230 nan 0.000 0.431 434 D N -0.543 119.899 120.400 0.069 0.000 2.182 434 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 434 D C 2.111 178.411 176.300 0.001 0.000 0.986 434 D CA 1.254 55.278 54.000 0.038 0.000 0.847 434 D CB 0.033 40.843 40.800 0.017 0.000 0.942 434 D HN 0.542 nan 8.370 nan 0.000 0.467 435 E N -0.609 119.546 120.200 -0.075 0.000 2.028 435 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 435 E C 2.109 178.610 176.600 -0.164 0.000 0.984 435 E CA 0.640 56.920 56.400 -0.200 0.000 0.800 435 E CB -0.198 29.262 29.700 -0.401 0.000 0.758 435 E HN 0.396 nan 8.360 nan 0.000 0.448 436 W N 1.149 122.452 121.300 0.004 0.000 2.342 436 W HA -0.148 4.512 4.660 -0.000 0.000 0.297 436 W C 2.448 178.970 176.519 0.005 0.000 1.213 436 W CA 0.590 57.937 57.345 0.003 0.000 1.251 436 W CB -0.107 29.356 29.460 0.005 0.000 1.136 436 W HN -0.018 nan 8.180 nan 0.000 0.526 437 R N -0.047 120.581 120.500 0.213 0.000 2.115 437 R HA -0.069 4.271 4.340 -0.000 0.000 0.230 437 R C 2.354 178.706 176.300 0.085 0.000 1.111 437 R CA 1.286 57.464 56.100 0.130 0.000 0.976 437 R CB -0.754 29.604 30.300 0.097 0.000 0.870 437 R HN 0.164 nan 8.270 nan 0.000 0.445 438 A N 1.087 123.941 122.820 0.056 0.000 1.930 438 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 438 A C 2.110 179.717 177.584 0.037 0.000 1.175 438 A CA 0.952 53.006 52.037 0.028 0.000 0.627 438 A CB -0.343 18.653 19.000 -0.007 0.000 0.815 438 A HN 0.157 nan 8.150 nan 0.000 0.443 439 L N -0.986 120.268 121.223 0.052 0.000 2.072 439 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 439 L C 3.088 180.014 176.870 0.093 0.000 1.079 439 L CA 0.984 55.864 54.840 0.068 0.000 0.752 439 L CB -0.544 41.578 42.059 0.106 0.000 0.906 439 L HN 0.439 nan 8.230 nan 0.000 0.436 440 A N -0.219 122.669 122.820 0.112 0.000 1.898 440 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 440 A C 1.910 179.537 177.584 0.073 0.000 1.181 440 A CA 1.783 53.876 52.037 0.093 0.000 0.620 440 A CB -0.418 18.635 19.000 0.089 0.000 0.819 440 A HN 0.353 nan 8.150 nan 0.000 0.442 441 D N -0.403 120.036 120.400 0.065 0.000 2.183 441 D HA -0.057 4.583 4.640 -0.000 0.000 0.203 441 D C 2.035 178.372 176.300 0.062 0.000 0.969 441 D CA 1.273 55.305 54.000 0.053 0.000 0.842 441 D CB -0.464 40.361 40.800 0.042 0.000 0.957 441 D HN 0.454 nan 8.370 nan 0.000 0.484 442 G N 1.076 109.919 108.800 0.071 0.000 2.404 442 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 442 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 442 G C 1.744 176.730 174.900 0.142 0.000 1.174 442 G CA 1.109 46.264 45.100 0.092 0.000 0.780 442 G HN 0.361 nan 8.290 nan 0.000 0.537 443 A N 0.291 123.196 122.820 0.141 0.000 1.877 443 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 443 A C 2.512 180.173 177.584 0.128 0.000 1.186 443 A CA 2.494 54.652 52.037 0.202 0.000 0.620 443 A CB -1.135 17.954 19.000 0.148 0.000 0.822 443 A HN 0.281 nan 8.150 nan 0.000 0.443 444 T N 0.265 114.863 114.554 0.073 0.000 2.665 444 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 444 T C 1.531 176.247 174.700 0.026 0.000 1.035 444 T CA 1.772 63.894 62.100 0.036 0.000 1.151 444 T CB -0.460 68.434 68.868 0.044 0.000 0.862 444 T HN 0.459 nan 8.240 nan 0.000 0.438 445 D N -0.477 119.951 120.400 0.046 0.000 2.219 445 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 445 D C 1.645 177.944 176.300 -0.000 0.000 0.970 445 D CA 0.669 54.683 54.000 0.022 0.000 0.851 445 D CB -0.258 40.561 40.800 0.032 0.000 0.943 445 D HN 0.460 nan 8.370 nan 0.000 0.488 446 Y N 1.368 121.608 120.300 -0.100 0.000 2.133 446 Y HA -0.129 4.421 4.550 -0.000 0.000 0.287 446 Y C 2.223 177.954 175.900 -0.281 0.000 1.134 446 Y CA 1.257 59.231 58.100 -0.210 0.000 1.133 446 Y CB -0.366 37.908 38.460 -0.311 0.000 0.987 446 Y HN -0.127 nan 8.280 nan 0.000 0.502 447 L N 0.095 121.276 121.223 -0.069 0.000 2.079 447 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 447 L C 2.255 179.027 176.870 -0.164 0.000 1.081 447 L CA 1.811 56.552 54.840 -0.165 0.000 0.752 447 L CB -0.528 41.382 42.059 -0.248 0.000 0.896 447 L HN 0.312 nan 8.230 nan 0.000 0.433 448 E N -0.276 119.851 120.200 -0.122 0.000 2.106 448 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 448 E C 2.342 178.859 176.600 -0.139 0.000 0.984 448 E CA 0.780 57.123 56.400 -0.095 0.000 0.806 448 E CB 0.011 29.678 29.700 -0.055 0.000 0.750 448 E HN 0.425 nan 8.360 nan 0.000 0.458 449 R N 0.488 120.857 120.500 -0.218 0.000 2.090 449 R HA -0.023 4.316 4.340 -0.000 0.000 0.228 449 R C 2.506 178.624 176.300 -0.303 0.000 1.110 449 R CA 0.493 56.437 56.100 -0.260 0.000 0.973 449 R CB -0.246 29.849 30.300 -0.343 0.000 0.869 449 R HN 0.159 nan 8.270 nan 0.000 0.440 450 L N 1.288 122.274 121.223 -0.397 0.000 2.042 450 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 450 L C 2.396 179.172 176.870 -0.158 0.000 1.076 450 L CA 1.723 56.375 54.840 -0.314 0.000 0.749 450 L CB -0.214 41.669 42.059 -0.294 0.000 0.893 450 L HN 0.237 nan 8.230 nan 0.000 0.432 451 E N -0.701 119.425 120.200 -0.124 0.000 2.077 451 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 451 E C 1.968 178.539 176.600 -0.049 0.000 0.989 451 E CA 1.823 58.187 56.400 -0.060 0.000 0.800 451 E CB 0.044 29.718 29.700 -0.042 0.000 0.746 451 E HN 0.481 nan 8.360 nan 0.000 0.452 452 V N 1.145 121.016 119.914 -0.073 0.000 2.591 452 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 452 V C 2.544 178.602 176.094 -0.060 0.000 1.053 452 V CA 1.802 64.067 62.300 -0.058 0.000 1.068 452 V CB -0.647 31.137 31.823 -0.066 0.000 0.689 452 V HN 0.270 nan 8.190 nan 0.000 0.462 453 R N 0.515 120.963 120.500 -0.085 0.000 2.061 453 R HA -0.146 4.194 4.340 -0.000 0.000 0.230 453 R C 2.282 178.557 176.300 -0.040 0.000 1.140 453 R CA 1.596 57.651 56.100 -0.076 0.000 0.940 453 R CB -0.258 29.973 30.300 -0.115 0.000 0.839 453 R HN 0.383 nan 8.270 nan 0.000 0.429 454 E N 0.642 120.828 120.200 -0.024 0.000 2.209 454 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 454 E C 2.080 178.688 176.600 0.012 0.000 0.993 454 E CA 1.098 57.514 56.400 0.026 0.000 0.819 454 E CB -0.118 29.633 29.700 0.086 0.000 0.745 454 E HN 0.404 nan 8.360 nan 0.000 0.477 455 R N 0.445 120.943 120.500 -0.003 0.000 2.073 455 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 455 R C 2.412 178.701 176.300 -0.018 0.000 1.120 455 R CA 1.096 57.192 56.100 -0.006 0.000 0.967 455 R CB -0.143 30.153 30.300 -0.006 0.000 0.862 455 R HN 0.204 nan 8.270 nan 0.000 0.436 456 E N 1.195 121.381 120.200 -0.024 0.000 2.017 456 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 456 E C 2.043 178.625 176.600 -0.030 0.000 0.997 456 E CA 1.179 57.564 56.400 -0.026 0.000 0.804 456 E CB -0.034 29.649 29.700 -0.028 0.000 0.757 456 E HN 0.160 nan 8.360 nan 0.000 0.448 457 R N -0.048 120.433 120.500 -0.031 0.000 2.132 457 R HA -0.186 4.154 4.340 -0.000 0.000 0.233 457 R C 2.698 178.965 176.300 -0.056 0.000 1.125 457 R CA 3.051 59.128 56.100 -0.039 0.000 0.914 457 R CB -0.866 29.415 30.300 -0.033 0.000 0.845 457 R HN 0.388 nan 8.270 nan 0.000 0.431 458 T N -3.046 111.468 114.554 -0.067 0.000 2.788 458 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 458 T C 1.533 176.188 174.700 -0.076 0.000 1.044 458 T CA 1.474 63.513 62.100 -0.102 0.000 1.139 458 T CB -0.492 68.297 68.868 -0.132 0.000 0.867 458 T HN 0.634 nan 8.240 nan 0.000 0.454 459 G N 1.146 109.917 108.800 -0.048 0.000 2.143 459 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.249 459 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.249 459 G C -0.079 174.806 174.900 -0.025 0.000 0.981 459 G CA 0.207 45.287 45.100 -0.034 0.000 0.665 459 G HN 0.709 nan 8.290 nan 0.000 0.528 460 L N 1.790 122.998 121.223 -0.024 0.000 2.255 460 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 460 L C 1.412 178.289 176.870 0.012 0.000 1.046 460 L CA -0.457 54.379 54.840 -0.005 0.000 0.816 460 L CB 0.941 42.995 42.059 -0.009 0.000 1.197 460 L HN 0.272 nan 8.230 nan 0.000 0.427 461 D N 0.433 120.842 120.400 0.015 0.000 2.310 461 D HA -0.170 4.470 4.640 -0.000 0.000 0.212 461 D C 1.447 177.765 176.300 0.030 0.000 0.965 461 D CA 1.353 55.364 54.000 0.018 0.000 0.879 461 D CB -0.085 40.724 40.800 0.015 0.000 0.921 461 D HN 0.629 nan 8.370 nan 0.000 0.510 462 T N -1.568 113.010 114.554 0.041 0.000 3.107 462 T HA 0.145 4.495 4.350 -0.000 0.000 0.249 462 T C 0.893 175.637 174.700 0.074 0.000 1.096 462 T CA -0.602 61.531 62.100 0.056 0.000 1.012 462 T CB -0.427 68.478 68.868 0.062 0.000 0.977 462 T HN 0.104 nan 8.240 nan 0.000 0.527 463 L N 2.727 123.991 121.223 0.069 0.000 2.410 463 L HA 0.410 4.750 4.340 -0.000 0.000 0.273 463 L C -0.049 176.868 176.870 0.079 0.000 1.144 463 L CA -0.265 54.629 54.840 0.091 0.000 0.863 463 L CB 0.271 42.378 42.059 0.081 0.000 1.140 463 L HN 0.385 nan 8.230 nan 0.000 0.463 464 K N 3.457 123.916 120.400 0.099 0.000 2.509 464 K HA 0.612 4.932 4.320 -0.000 0.000 0.266 464 K C -1.860 174.779 176.600 0.065 0.000 0.987 464 K CA -1.032 55.297 56.287 0.071 0.000 0.868 464 K CB 2.021 34.565 32.500 0.072 0.000 1.421 464 K HN 0.289 nan 8.250 nan 0.000 0.444 465 V N 1.218 121.141 119.914 0.015 0.000 2.398 465 V HA 0.602 4.722 4.120 -0.000 0.000 0.286 465 V C 0.163 176.188 176.094 -0.115 0.000 1.026 465 V CA -0.084 62.191 62.300 -0.041 0.000 0.868 465 V CB 1.214 33.029 31.823 -0.013 0.000 0.982 465 V HN 0.938 nan 8.190 nan 0.000 0.443 466 G N 3.009 111.521 108.800 -0.480 0.000 2.714 466 G HA2 0.755 4.715 3.960 -0.000 0.000 0.292 466 G HA3 0.755 4.715 3.960 -0.000 0.000 0.292 466 G C -1.862 172.573 174.900 -0.775 0.000 1.308 466 G CA -0.576 44.199 45.100 -0.543 0.000 0.964 466 G HN 0.487 nan 8.290 nan 0.000 0.484 467 F N 0.876 120.543 119.950 -0.471 0.000 2.565 467 F HA 0.714 5.241 4.527 -0.000 0.000 0.313 467 F C -0.755 175.033 175.800 -0.020 0.000 1.091 467 F CA -1.020 56.726 58.000 -0.423 0.000 0.915 467 F CB 2.362 40.926 39.000 -0.727 0.000 1.208 467 F HN 0.508 nan 8.300 nan 0.000 0.453 468 N N 3.090 121.215 118.700 -0.959 0.000 2.484 468 N HA 0.454 5.194 4.740 -0.000 0.000 0.269 468 N C -0.332 174.648 175.510 -0.884 0.000 1.237 468 N CA 0.176 52.897 53.050 -0.548 0.000 0.838 468 N CB 2.274 40.711 38.487 -0.084 0.000 1.593 468 N HN 0.776 nan 8.380 nan 0.000 0.485 469 A N 1.582 124.148 122.820 -0.423 0.000 1.872 469 A HA 0.000 4.320 4.320 -0.000 0.000 0.214 469 A C 1.950 179.385 177.584 -0.249 0.000 1.187 469 A CA 1.730 53.602 52.037 -0.274 0.000 0.614 469 A CB -0.790 18.150 19.000 -0.101 0.000 0.826 469 A HN 0.425 nan 8.150 nan 0.000 0.442 470 V N -0.300 119.461 119.914 -0.255 0.000 2.324 470 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 470 V C 2.038 177.883 176.094 -0.415 0.000 1.060 470 V CA 2.545 64.638 62.300 -0.345 0.000 1.042 470 V CB -0.890 30.669 31.823 -0.439 0.000 0.650 470 V HN 0.791 nan 8.190 nan 0.000 0.450 471 H N -1.770 117.201 119.070 -0.165 0.000 2.755 471 H HA 0.457 5.013 4.556 -0.000 0.000 0.273 471 H C 1.313 176.589 175.328 -0.087 0.000 1.055 471 H CA 0.357 56.343 56.048 -0.104 0.000 1.191 471 H CB 0.653 30.352 29.762 -0.105 0.000 1.536 471 H HN 0.515 nan 8.280 nan 0.000 0.529 472 G N 0.718 109.403 108.800 -0.192 0.000 2.550 472 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.277 472 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.277 472 G C -0.313 174.411 174.900 -0.293 0.000 1.190 472 G CA 0.080 45.008 45.100 -0.287 0.000 0.971 472 G HN 0.323 nan 8.290 nan 0.000 0.559 473 Y N 0.760 121.145 120.300 0.142 0.000 2.298 473 Y HA 0.585 5.135 4.550 -0.000 0.000 0.329 473 Y C 0.839 176.815 175.900 0.127 0.000 1.293 473 Y CA 1.081 59.252 58.100 0.120 0.000 1.388 473 Y CB 1.152 39.709 38.460 0.162 0.000 1.309 473 Y HN 0.906 nan 8.280 nan 0.000 0.544 474 Y N -2.021 118.417 120.300 0.231 0.000 2.741 474 Y HA 0.629 5.179 4.550 -0.000 0.000 0.339 474 Y C -2.032 173.928 175.900 0.100 0.000 1.226 474 Y CA -2.043 56.117 58.100 0.100 0.000 1.072 474 Y CB 0.533 38.999 38.460 0.009 0.000 1.331 474 Y HN 0.348 nan 8.280 nan 0.000 0.453 475 I N 2.391 123.147 120.570 0.310 0.000 2.404 475 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 475 I C -0.633 175.747 176.117 0.438 0.000 0.992 475 I CA -0.757 60.690 61.300 0.246 0.000 1.149 475 I CB 1.994 40.024 38.000 0.050 0.000 1.315 475 I HN 0.674 nan 8.210 nan 0.000 0.446 476 Q N 6.295 126.323 119.800 0.380 0.000 2.309 476 Q HA 0.651 4.991 4.340 -0.000 0.000 0.264 476 Q C -1.492 174.678 176.000 0.283 0.000 1.008 476 Q CA -0.684 55.326 55.803 0.345 0.000 0.853 476 Q CB 2.030 30.962 28.738 0.322 0.000 1.314 476 Q HN 0.480 nan 8.270 nan 0.000 0.448 477 I N 1.904 122.649 120.570 0.292 0.000 2.769 477 I HA 0.242 4.412 4.170 -0.000 0.000 0.298 477 I C 0.075 176.296 176.117 0.173 0.000 1.128 477 I CA -0.770 60.667 61.300 0.229 0.000 1.031 477 I CB 1.769 39.936 38.000 0.278 0.000 1.235 477 I HN 0.778 nan 8.210 nan 0.000 0.423 478 S N 4.485 120.258 115.700 0.122 0.000 2.579 478 S HA 0.192 4.662 4.470 -0.000 0.000 0.275 478 S C 1.245 175.900 174.600 0.091 0.000 1.345 478 S CA -0.232 58.021 58.200 0.088 0.000 1.031 478 S CB 1.380 64.619 63.200 0.065 0.000 0.892 478 S HN 0.800 nan 8.310 nan 0.000 0.529 479 R N 1.729 122.264 120.500 0.058 0.000 2.119 479 R HA -0.133 4.207 4.340 -0.000 0.000 0.246 479 R C 2.148 178.476 176.300 0.046 0.000 1.146 479 R CA 1.955 58.083 56.100 0.046 0.000 0.962 479 R CB -1.354 28.956 30.300 0.015 0.000 0.863 479 R HN 0.884 nan 8.270 nan 0.000 0.442 480 G N -0.581 108.238 108.800 0.032 0.000 2.509 480 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 480 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 480 G C 1.000 175.940 174.900 0.066 0.000 1.124 480 G CA 0.334 45.440 45.100 0.009 0.000 0.776 480 G HN 0.462 nan 8.290 nan 0.000 0.547 481 Q N 0.041 119.916 119.800 0.125 0.000 2.189 481 Q HA 0.069 4.409 4.340 -0.000 0.000 0.223 481 Q C 2.397 178.523 176.000 0.210 0.000 0.828 481 Q CA 0.426 56.339 55.803 0.182 0.000 0.967 481 Q CB 0.699 29.498 28.738 0.102 0.000 1.139 481 Q HN 0.538 nan 8.270 nan 0.000 0.497 482 S N 0.923 116.753 115.700 0.217 0.000 2.447 482 S HA -0.181 4.289 4.470 -0.000 0.000 0.233 482 S C 1.805 176.545 174.600 0.233 0.000 1.006 482 S CA 1.245 59.590 58.200 0.241 0.000 0.957 482 S CB -0.481 62.873 63.200 0.256 0.000 0.773 482 S HN 0.554 nan 8.310 nan 0.000 0.507 483 H N 1.324 120.424 119.070 0.050 0.000 2.559 483 H HA 0.236 4.792 4.556 -0.000 0.000 0.273 483 H C 1.357 176.678 175.328 -0.012 0.000 1.000 483 H CA 0.473 56.537 56.048 0.027 0.000 1.195 483 H CB -0.536 29.237 29.762 0.018 0.000 1.368 483 H HN 0.457 nan 8.280 nan 0.000 0.592 484 L N 0.573 121.622 121.223 -0.289 0.000 2.640 484 L HA 0.393 4.733 4.340 -0.000 0.000 0.230 484 L C 1.160 177.863 176.870 -0.279 0.000 1.123 484 L CA -0.066 54.551 54.840 -0.371 0.000 0.900 484 L CB 0.047 41.916 42.059 -0.318 0.000 1.146 484 L HN 0.183 nan 8.230 nan 0.000 0.484 485 A N 1.141 123.803 122.820 -0.263 0.000 2.531 485 A HA 0.286 4.606 4.320 -0.000 0.000 0.236 485 A C -2.084 175.187 177.584 -0.522 0.000 1.062 485 A CA -0.736 51.001 52.037 -0.501 0.000 0.760 485 A CB -0.545 18.081 19.000 -0.624 0.000 0.995 485 A HN -0.009 nan 8.150 nan 0.000 0.501 486 P HA 0.130 nan 4.420 nan 0.000 0.269 486 P C 0.534 177.656 177.300 -0.297 0.000 1.215 486 P CA -0.145 62.652 63.100 -0.505 0.000 0.780 486 P CB 0.311 31.652 31.700 -0.598 0.000 0.898 487 I N 1.068 121.558 120.570 -0.133 0.000 3.001 487 I HA -0.151 4.019 4.170 -0.000 0.000 0.268 487 I C 1.790 177.929 176.117 0.037 0.000 1.267 487 I CA 0.915 62.193 61.300 -0.036 0.000 1.472 487 I CB -0.649 37.335 38.000 -0.026 0.000 1.089 487 I HN 0.442 nan 8.210 nan 0.000 0.468 488 N N 0.039 118.781 118.700 0.071 0.000 2.398 488 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 488 N C 0.483 176.152 175.510 0.264 0.000 1.122 488 N CA 0.129 53.266 53.050 0.145 0.000 0.866 488 N CB 0.041 38.606 38.487 0.129 0.000 0.970 488 N HN 0.163 nan 8.380 nan 0.000 0.462 492 R N 0.642 120.985 120.500 -0.263 0.000 2.561 492 R HA 0.182 4.522 4.340 -0.000 0.000 0.213 492 R C -0.382 175.691 176.300 -0.378 0.000 0.885 492 R CA 0.375 56.319 56.100 -0.261 0.000 1.002 492 R CB 0.968 31.099 30.300 -0.282 0.000 1.432 492 R HN 0.633 nan 8.270 nan 0.000 0.651 493 Q N 0.676 120.191 119.800 -0.476 0.000 2.263 493 Q HA 0.299 4.639 4.340 -0.000 0.000 0.262 493 Q C -1.549 174.268 176.000 -0.305 0.000 0.984 493 Q CA -0.109 55.462 55.803 -0.386 0.000 0.813 493 Q CB 2.193 30.604 28.738 -0.545 0.000 1.299 493 Q HN -0.117 nan 8.270 nan 0.000 0.428 494 T N 4.616 119.054 114.554 -0.195 0.000 2.767 494 T HA 0.483 4.833 4.350 -0.000 0.000 0.288 494 T C -0.043 174.588 174.700 -0.115 0.000 0.963 494 T CA -0.275 61.733 62.100 -0.154 0.000 1.019 494 T CB 0.370 69.172 68.868 -0.109 0.000 0.923 494 T HN 0.425 nan 8.240 nan 0.000 0.468 495 L N 2.313 123.474 121.223 -0.104 0.000 2.335 495 L HA 0.505 4.845 4.340 -0.000 0.000 0.268 495 L C 1.991 178.833 176.870 -0.047 0.000 1.016 495 L CA -1.000 53.796 54.840 -0.072 0.000 0.805 495 L CB 0.887 42.904 42.059 -0.071 0.000 1.311 495 L HN 0.587 nan 8.230 nan 0.000 0.456 496 K N 0.416 120.795 120.400 -0.034 0.000 2.103 496 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 496 K C 0.897 177.487 176.600 -0.016 0.000 1.048 496 K CA 1.986 58.259 56.287 -0.023 0.000 0.930 496 K CB 0.107 32.596 32.500 -0.018 0.000 0.716 496 K HN 0.519 nan 8.250 nan 0.000 0.444 497 N N -0.856 117.837 118.700 -0.012 0.000 2.241 497 N HA 0.242 4.982 4.740 -0.000 0.000 0.238 497 N C -1.678 173.838 175.510 0.010 0.000 1.244 497 N CA 0.061 53.111 53.050 0.000 0.000 0.880 497 N CB 1.587 40.078 38.487 0.006 0.000 1.179 497 N HN 0.266 nan 8.380 nan 0.000 0.513 498 A N -0.465 122.353 122.820 -0.003 0.000 2.610 498 A HA 0.681 5.001 4.320 -0.000 0.000 0.291 498 A C -1.622 175.938 177.584 -0.040 0.000 1.086 498 A CA -0.660 51.383 52.037 0.009 0.000 0.677 498 A CB 1.279 20.292 19.000 0.022 0.000 1.278 498 A HN 0.046 nan 8.150 nan 0.000 0.414 499 E N 1.388 121.569 120.200 -0.032 0.000 2.218 499 E HA 0.383 4.733 4.350 -0.000 0.000 0.263 499 E C -1.022 175.394 176.600 -0.306 0.000 0.879 499 E CA -0.625 55.642 56.400 -0.221 0.000 0.762 499 E CB 1.964 31.519 29.700 -0.241 0.000 1.166 499 E HN 0.601 nan 8.360 nan 0.000 0.415 500 R N 2.743 122.985 120.500 -0.431 0.000 2.407 500 R HA 0.521 4.861 4.340 -0.000 0.000 0.303 500 R C -0.531 175.522 176.300 -0.412 0.000 0.981 500 R CA -0.601 55.314 56.100 -0.308 0.000 0.905 500 R CB 0.819 30.806 30.300 -0.522 0.000 1.099 500 R HN 0.430 nan 8.270 nan 0.000 0.459 501 Y N 1.706 122.003 120.300 -0.004 0.000 2.630 501 Y HA 0.596 5.146 4.550 -0.000 0.000 0.337 501 Y C 0.630 176.498 175.900 -0.055 0.000 1.051 501 Y CA -1.329 56.752 58.100 -0.033 0.000 1.121 501 Y CB 1.456 39.917 38.460 0.003 0.000 1.299 501 Y HN 0.491 nan 8.280 nan 0.000 0.498 502 I N 0.815 121.446 120.570 0.101 0.000 2.934 502 I HA 0.856 5.026 4.170 -0.000 0.000 0.306 502 I C -1.254 174.845 176.117 -0.029 0.000 1.110 502 I CA -1.294 60.029 61.300 0.038 0.000 1.019 502 I CB 2.812 40.857 38.000 0.075 0.000 1.227 502 I HN 0.678 nan 8.210 nan 0.000 0.434 503 I N -0.133 120.414 120.570 -0.038 0.000 2.913 503 I HA 0.532 4.702 4.170 -0.000 0.000 0.302 503 I C -2.359 173.775 176.117 0.029 0.000 1.246 503 I CA -1.989 59.298 61.300 -0.023 0.000 1.010 503 I CB 2.200 40.148 38.000 -0.086 0.000 1.259 503 I HN 0.317 nan 8.210 nan 0.000 0.434 504 P HA -0.241 nan 4.420 nan 0.000 0.216 504 P C 1.137 178.484 177.300 0.079 0.000 1.150 504 P CA 1.604 64.739 63.100 0.059 0.000 0.843 504 P CB 0.229 31.960 31.700 0.053 0.000 0.787 505 E N -0.804 119.450 120.200 0.090 0.000 2.268 505 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 505 E C 1.867 178.572 176.600 0.175 0.000 0.995 505 E CA 0.330 56.818 56.400 0.148 0.000 0.836 505 E CB -0.232 29.546 29.700 0.131 0.000 0.763 505 E HN 0.083 nan 8.360 nan 0.000 0.491 506 L N 0.569 121.851 121.223 0.099 0.000 2.168 506 L HA 0.050 4.390 4.340 -0.000 0.000 0.203 506 L C 1.836 178.776 176.870 0.117 0.000 1.078 506 L CA 1.373 56.259 54.840 0.077 0.000 0.780 506 L CB -0.012 42.072 42.059 0.041 0.000 0.939 506 L HN -0.162 nan 8.230 nan 0.000 0.451 507 K N 0.149 120.619 120.400 0.117 0.000 2.288 507 K HA -0.091 4.229 4.320 -0.000 0.000 0.201 507 K C 1.963 178.621 176.600 0.098 0.000 1.048 507 K CA 0.898 57.259 56.287 0.123 0.000 0.956 507 K CB -0.165 32.394 32.500 0.098 0.000 0.746 507 K HN 0.490 nan 8.250 nan 0.000 0.461 508 E N -0.806 119.451 120.200 0.094 0.000 2.015 508 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 508 E C 1.345 177.908 176.600 -0.062 0.000 0.991 508 E CA 1.257 57.661 56.400 0.007 0.000 0.802 508 E CB -0.090 29.602 29.700 -0.014 0.000 0.759 508 E HN 0.306 nan 8.360 nan 0.000 0.447 509 Y N 1.051 121.296 120.300 -0.093 0.000 2.314 509 Y HA -0.112 4.438 4.550 -0.000 0.000 0.293 509 Y C 2.327 178.176 175.900 -0.084 0.000 1.129 509 Y CA 1.391 59.411 58.100 -0.132 0.000 1.201 509 Y CB -0.368 37.977 38.460 -0.192 0.000 0.999 509 Y HN 0.241 nan 8.280 nan 0.000 0.541 510 E N 0.536 120.796 120.200 0.101 0.000 2.114 510 E HA -0.292 4.058 4.350 -0.000 0.000 0.199 510 E C 1.559 178.266 176.600 0.179 0.000 1.008 510 E CA 1.825 58.356 56.400 0.220 0.000 0.810 510 E CB -0.151 29.777 29.700 0.380 0.000 0.739 510 E HN 0.441 nan 8.360 nan 0.000 0.456 511 D N 0.324 120.783 120.400 0.097 0.000 2.104 511 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 511 D C 1.946 178.262 176.300 0.026 0.000 0.994 511 D CA 1.319 55.349 54.000 0.051 0.000 0.830 511 D CB -0.027 40.776 40.800 0.005 0.000 0.959 511 D HN 0.273 nan 8.370 nan 0.000 0.452 512 K N 0.550 120.939 120.400 -0.017 0.000 2.001 512 K HA -0.133 4.187 4.320 -0.000 0.000 0.214 512 K C 2.314 178.942 176.600 0.046 0.000 1.050 512 K CA 0.928 57.206 56.287 -0.016 0.000 0.934 512 K CB -0.459 31.988 32.500 -0.089 0.000 0.718 512 K HN -0.005 nan 8.250 nan 0.000 0.443 513 V N 1.757 121.712 119.914 0.069 0.000 2.219 513 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 513 V C 2.362 178.494 176.094 0.064 0.000 1.053 513 V CA 1.775 64.125 62.300 0.084 0.000 1.009 513 V CB -0.507 31.396 31.823 0.133 0.000 0.636 513 V HN 0.186 nan 8.190 nan 0.000 0.445 514 L N 0.591 121.863 121.223 0.081 0.000 2.012 514 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 514 L C 2.853 179.724 176.870 0.001 0.000 1.073 514 L CA 2.802 57.670 54.840 0.047 0.000 0.748 514 L CB -1.417 40.697 42.059 0.092 0.000 0.891 514 L HN 0.684 nan 8.230 nan 0.000 0.431 515 T N -4.948 109.605 114.554 -0.002 0.000 2.821 515 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 515 T C 2.034 176.662 174.700 -0.120 0.000 1.046 515 T CA 1.415 63.480 62.100 -0.058 0.000 1.139 515 T CB -0.581 68.264 68.868 -0.038 0.000 0.871 515 T HN 0.210 nan 8.240 nan 0.000 0.454 516 S N 1.686 117.375 115.700 -0.018 0.000 2.355 516 S HA -0.035 4.435 4.470 -0.000 0.000 0.222 516 S C 2.113 176.691 174.600 -0.036 0.000 1.031 516 S CA 1.069 59.297 58.200 0.048 0.000 0.993 516 S CB -0.263 63.058 63.200 0.202 0.000 0.859 516 S HN 0.572 nan 8.310 nan 0.000 0.453 517 K N 0.778 121.167 120.400 -0.018 0.000 2.057 517 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 517 K C 2.405 178.952 176.600 -0.088 0.000 1.049 517 K CA 1.168 57.435 56.287 -0.033 0.000 0.931 517 K CB -0.652 31.829 32.500 -0.031 0.000 0.714 517 K HN 0.433 nan 8.250 nan 0.000 0.440 518 G N 2.039 110.772 108.800 -0.112 0.000 2.469 518 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.219 518 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.219 518 G C 1.411 176.187 174.900 -0.206 0.000 1.150 518 G CA 0.828 45.848 45.100 -0.132 0.000 0.763 518 G HN 0.238 nan 8.290 nan 0.000 0.561 519 K N 0.396 120.579 120.400 -0.362 0.000 2.076 519 K HA 0.154 4.474 4.320 -0.000 0.000 0.204 519 K C 3.010 179.373 176.600 -0.394 0.000 1.051 519 K CA 0.747 56.696 56.287 -0.564 0.000 0.949 519 K CB -0.183 31.535 32.500 -1.304 0.000 0.726 519 K HN 0.258 nan 8.250 nan 0.000 0.443 520 A N 1.874 124.546 122.820 -0.247 0.000 1.865 520 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 520 A C 2.131 179.696 177.584 -0.032 0.000 1.191 520 A CA 1.334 53.349 52.037 -0.035 0.000 0.623 520 A CB -0.678 18.352 19.000 0.051 0.000 0.826 520 A HN 0.229 nan 8.150 nan 0.000 0.444 521 L N -0.131 121.058 121.223 -0.057 0.000 2.012 521 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 521 L C 2.684 179.530 176.870 -0.040 0.000 1.073 521 L CA 2.434 57.247 54.840 -0.044 0.000 0.748 521 L CB -0.935 41.093 42.059 -0.052 0.000 0.891 521 L HN 0.367 nan 8.230 nan 0.000 0.431 522 A N -1.074 121.706 122.820 -0.067 0.000 1.933 522 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 522 A C 2.207 179.781 177.584 -0.016 0.000 1.175 522 A CA 1.853 53.859 52.037 -0.050 0.000 0.628 522 A CB -0.863 18.086 19.000 -0.085 0.000 0.814 522 A HN 0.471 nan 8.150 nan 0.000 0.444 523 L N -0.007 121.207 121.223 -0.014 0.000 2.072 523 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 523 L C 2.150 179.064 176.870 0.073 0.000 1.079 523 L CA 2.000 56.865 54.840 0.042 0.000 0.752 523 L CB -0.800 41.306 42.059 0.079 0.000 0.906 523 L HN 0.487 nan 8.230 nan 0.000 0.436 524 E N -0.366 119.871 120.200 0.061 0.000 2.070 524 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 524 E C 2.120 178.772 176.600 0.086 0.000 1.004 524 E CA 1.604 58.049 56.400 0.074 0.000 0.805 524 E CB -0.088 29.631 29.700 0.032 0.000 0.744 524 E HN 0.489 nan 8.360 nan 0.000 0.451 525 K N 0.299 120.731 120.400 0.053 0.000 2.097 525 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 525 K C 2.303 178.977 176.600 0.123 0.000 1.049 525 K CA 0.972 57.303 56.287 0.074 0.000 0.933 525 K CB 0.034 32.556 32.500 0.036 0.000 0.717 525 K HN 0.046 nan 8.250 nan 0.000 0.442 526 Q N 0.607 120.464 119.800 0.095 0.000 2.083 526 Q HA -0.053 4.287 4.340 -0.000 0.000 0.198 526 Q C 2.221 178.287 176.000 0.109 0.000 0.969 526 Q CA 1.158 57.017 55.803 0.094 0.000 0.838 526 Q CB -0.120 28.660 28.738 0.071 0.000 0.900 526 Q HN 0.357 nan 8.270 nan 0.000 0.436 527 L N -0.582 120.720 121.223 0.131 0.000 2.191 527 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 527 L C 2.302 179.239 176.870 0.112 0.000 1.103 527 L CA 1.061 55.998 54.840 0.162 0.000 0.769 527 L CB -0.486 41.717 42.059 0.239 0.000 0.908 527 L HN 0.183 nan 8.230 nan 0.000 0.438 528 Y N 0.809 121.092 120.300 -0.028 0.000 2.220 528 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 528 Y C 2.631 178.408 175.900 -0.205 0.000 1.129 528 Y CA 1.339 59.356 58.100 -0.138 0.000 1.161 528 Y CB 0.140 38.528 38.460 -0.119 0.000 0.997 528 Y HN 0.089 nan 8.280 nan 0.000 0.522 529 E N 0.372 120.593 120.200 0.036 0.000 2.150 529 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 529 E C 2.017 178.632 176.600 0.025 0.000 0.985 529 E CA 1.264 57.715 56.400 0.085 0.000 0.814 529 E CB -0.269 29.532 29.700 0.168 0.000 0.752 529 E HN 0.693 nan 8.360 nan 0.000 0.466 530 E N 0.928 121.129 120.200 0.001 0.000 2.150 530 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 530 E C 2.202 178.783 176.600 -0.032 0.000 0.985 530 E CA 0.321 56.733 56.400 0.022 0.000 0.814 530 E CB 0.006 29.742 29.700 0.060 0.000 0.752 530 E HN 0.216 nan 8.360 nan 0.000 0.466 531 L N 0.089 121.202 121.223 -0.184 0.000 2.042 531 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 531 L C 2.475 179.228 176.870 -0.196 0.000 1.076 531 L CA 1.141 55.822 54.840 -0.265 0.000 0.749 531 L CB -0.575 41.164 42.059 -0.533 0.000 0.893 531 L HN 0.164 nan 8.230 nan 0.000 0.432 532 F N 0.726 120.584 119.950 -0.152 0.000 2.126 532 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 532 F C 2.366 178.137 175.800 -0.048 0.000 1.096 532 F CA 1.196 59.133 58.000 -0.104 0.000 1.255 532 F CB -0.856 38.085 39.000 -0.099 0.000 0.997 532 F HN 0.164 nan 8.300 nan 0.000 0.479 533 D N 0.068 120.559 120.400 0.151 0.000 2.178 533 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 533 D C 2.331 178.668 176.300 0.061 0.000 0.980 533 D CA 1.132 55.185 54.000 0.087 0.000 0.842 533 D CB -0.489 40.351 40.800 0.067 0.000 0.948 533 D HN 0.267 nan 8.370 nan 0.000 0.472 534 L N -0.384 120.878 121.223 0.066 0.000 2.418 534 L HA -0.027 4.313 4.340 -0.000 0.000 0.218 534 L C 1.778 178.724 176.870 0.127 0.000 1.125 534 L CA 0.102 54.991 54.840 0.082 0.000 0.835 534 L CB 0.118 42.229 42.059 0.086 0.000 0.953 534 L HN 0.012 nan 8.230 nan 0.000 0.454 535 L N -0.905 120.392 121.223 0.122 0.000 2.221 535 L HA 0.017 4.357 4.340 -0.000 0.000 0.202 535 L C 2.178 179.126 176.870 0.129 0.000 1.074 535 L CA 1.325 56.267 54.840 0.170 0.000 0.795 535 L CB -0.635 41.511 42.059 0.145 0.000 0.960 535 L HN 0.094 nan 8.230 nan 0.000 0.458 536 L N 0.045 121.316 121.223 0.081 0.000 2.127 536 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 536 L C -0.273 176.578 176.870 -0.032 0.000 1.089 536 L CA 1.132 55.991 54.840 0.033 0.000 0.757 536 L CB -1.576 40.496 42.059 0.022 0.000 0.899 536 L HN 0.237 nan 8.230 nan 0.000 0.434 537 P HA -0.172 nan 4.420 nan 0.000 0.218 537 P C 0.867 177.979 177.300 -0.313 0.000 1.146 537 P CA 1.429 64.359 63.100 -0.282 0.000 0.813 537 P CB -0.079 31.337 31.700 -0.473 0.000 0.778 538 H N -2.066 117.052 119.070 0.080 0.000 2.505 538 H HA 0.180 4.736 4.556 -0.000 0.000 0.289 538 H C 1.639 177.024 175.328 0.095 0.000 1.052 538 H CA -0.372 55.744 56.048 0.112 0.000 1.156 538 H CB -0.205 29.647 29.762 0.150 0.000 1.507 538 H HN 0.066 nan 8.280 nan 0.000 0.548 539 L N 1.610 122.907 121.223 0.122 0.000 2.013 539 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 539 L C 2.449 179.389 176.870 0.118 0.000 1.073 539 L CA 1.956 56.854 54.840 0.098 0.000 0.753 539 L CB -0.371 41.728 42.059 0.068 0.000 0.890 539 L HN 0.236 nan 8.230 nan 0.000 0.432 540 E N -0.781 119.494 120.200 0.125 0.000 2.058 540 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 540 E C 2.072 178.769 176.600 0.161 0.000 0.997 540 E CA 1.412 57.891 56.400 0.130 0.000 0.801 540 E CB -0.266 29.504 29.700 0.117 0.000 0.746 540 E HN 0.613 nan 8.360 nan 0.000 0.450 541 A N 0.667 123.618 122.820 0.219 0.000 1.933 541 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 541 A C 2.185 179.980 177.584 0.352 0.000 1.175 541 A CA 1.073 53.292 52.037 0.303 0.000 0.628 541 A CB -0.550 18.689 19.000 0.397 0.000 0.814 541 A HN 0.317 nan 8.150 nan 0.000 0.444 542 L N -1.012 120.326 121.223 0.191 0.000 2.093 542 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 542 L C 2.821 179.729 176.870 0.063 0.000 1.085 542 L CA 1.327 56.159 54.840 -0.013 0.000 0.755 542 L CB -0.534 41.456 42.059 -0.114 0.000 0.904 542 L HN 0.464 nan 8.230 nan 0.000 0.435 543 Q N -0.459 119.396 119.800 0.092 0.000 2.119 543 Q HA -0.240 4.100 4.340 -0.000 0.000 0.201 543 Q C 2.263 178.324 176.000 0.102 0.000 0.972 543 Q CA 1.337 57.193 55.803 0.088 0.000 0.847 543 Q CB -0.059 28.738 28.738 0.099 0.000 0.903 543 Q HN 0.557 nan 8.270 nan 0.000 0.433 544 Q N -0.336 119.541 119.800 0.129 0.000 2.079 544 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 544 Q C 2.255 178.337 176.000 0.136 0.000 0.974 544 Q CA 1.371 57.250 55.803 0.127 0.000 0.840 544 Q CB -0.078 28.740 28.738 0.134 0.000 0.898 544 Q HN 0.215 nan 8.270 nan 0.000 0.430 545 S N 0.233 116.045 115.700 0.186 0.000 2.356 545 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 545 S C 2.015 176.689 174.600 0.124 0.000 1.032 545 S CA 1.201 59.523 58.200 0.203 0.000 1.005 545 S CB -0.208 63.205 63.200 0.356 0.000 0.867 545 S HN 0.443 nan 8.310 nan 0.000 0.449 546 A N 0.509 123.381 122.820 0.086 0.000 1.933 546 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 546 A C 2.435 180.049 177.584 0.050 0.000 1.175 546 A CA 2.110 54.175 52.037 0.047 0.000 0.628 546 A CB -1.317 17.696 19.000 0.022 0.000 0.814 546 A HN 0.638 nan 8.150 nan 0.000 0.444 547 S N -0.338 115.402 115.700 0.067 0.000 2.368 547 S HA -0.013 4.457 4.470 -0.000 0.000 0.224 547 S C 2.180 176.822 174.600 0.071 0.000 1.029 547 S CA 1.541 59.783 58.200 0.069 0.000 0.988 547 S CB -0.473 62.777 63.200 0.083 0.000 0.838 547 S HN 0.814 nan 8.310 nan 0.000 0.462 548 A N 1.430 124.297 122.820 0.077 0.000 1.902 548 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 548 A C 2.239 179.854 177.584 0.052 0.000 1.181 548 A CA 1.396 53.475 52.037 0.071 0.000 0.623 548 A CB -0.822 18.222 19.000 0.074 0.000 0.818 548 A HN 0.577 nan 8.150 nan 0.000 0.443 549 L N -0.774 120.478 121.223 0.049 0.000 2.046 549 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 549 L C 3.102 179.974 176.870 0.004 0.000 1.077 549 L CA 1.078 55.936 54.840 0.029 0.000 0.747 549 L CB -0.529 41.549 42.059 0.031 0.000 0.896 549 L HN 0.442 nan 8.230 nan 0.000 0.432 550 A N -0.230 122.590 122.820 0.000 0.000 1.902 550 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 550 A C 2.270 179.817 177.584 -0.062 0.000 1.181 550 A CA 1.940 53.957 52.037 -0.033 0.000 0.623 550 A CB -0.497 18.488 19.000 -0.024 0.000 0.818 550 A HN 0.490 nan 8.150 nan 0.000 0.443 551 E N -0.695 119.499 120.200 -0.010 0.000 2.107 551 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 551 E C 1.875 178.472 176.600 -0.005 0.000 0.982 551 E CA 1.025 57.428 56.400 0.006 0.000 0.809 551 E CB -0.175 29.605 29.700 0.134 0.000 0.756 551 E HN 0.443 nan 8.360 nan 0.000 0.459 552 L N 1.510 122.735 121.223 0.004 0.000 2.046 552 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 552 L C 1.988 178.841 176.870 -0.030 0.000 1.077 552 L CA 2.235 57.074 54.840 -0.003 0.000 0.747 552 L CB -0.504 41.556 42.059 0.001 0.000 0.896 552 L HN 0.174 nan 8.230 nan 0.000 0.432 553 D N -0.996 119.376 120.400 -0.046 0.000 2.116 553 D HA -0.192 4.447 4.640 -0.000 0.000 0.193 553 D C 2.131 178.373 176.300 -0.097 0.000 0.998 553 D CA 1.790 55.752 54.000 -0.062 0.000 0.836 553 D CB -0.122 40.639 40.800 -0.065 0.000 0.951 553 D HN 0.214 nan 8.370 nan 0.000 0.449 554 V N 0.490 120.305 119.914 -0.166 0.000 2.255 554 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 554 V C 2.767 178.779 176.094 -0.137 0.000 1.051 554 V CA 1.478 63.625 62.300 -0.255 0.000 1.018 554 V CB -0.538 30.925 31.823 -0.601 0.000 0.641 554 V HN 0.289 nan 8.190 nan 0.000 0.445 555 L N -0.639 120.546 121.223 -0.063 0.000 2.093 555 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 555 L C 2.462 179.325 176.870 -0.012 0.000 1.085 555 L CA 0.909 55.760 54.840 0.019 0.000 0.755 555 L CB -0.578 41.523 42.059 0.069 0.000 0.904 555 L HN 0.186 nan 8.230 nan 0.000 0.435 556 V N 0.433 120.333 119.914 -0.023 0.000 2.407 556 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 556 V C 2.358 178.437 176.094 -0.025 0.000 1.055 556 V CA 1.999 64.287 62.300 -0.020 0.000 1.049 556 V CB -0.709 31.107 31.823 -0.012 0.000 0.662 556 V HN 0.598 nan 8.190 nan 0.000 0.455 557 N N 0.404 119.084 118.700 -0.034 0.000 2.084 557 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 557 N C 1.902 177.397 175.510 -0.024 0.000 1.030 557 N CA 1.593 54.624 53.050 -0.032 0.000 0.849 557 N CB -0.095 38.364 38.487 -0.047 0.000 1.012 557 N HN 0.443 nan 8.380 nan 0.000 0.423 558 L N 0.823 122.037 121.223 -0.015 0.000 2.201 558 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 558 L C 2.734 179.574 176.870 -0.050 0.000 1.105 558 L CA 0.931 55.776 54.840 0.008 0.000 0.775 558 L CB -0.418 41.678 42.059 0.061 0.000 0.913 558 L HN 0.212 nan 8.230 nan 0.000 0.440 559 A N -0.255 122.520 122.820 -0.074 0.000 1.902 559 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 559 A C 2.363 179.906 177.584 -0.068 0.000 1.181 559 A CA 1.712 53.677 52.037 -0.120 0.000 0.623 559 A CB -0.431 18.516 19.000 -0.088 0.000 0.818 559 A HN 0.386 nan 8.150 nan 0.000 0.443 560 E N 0.112 120.292 120.200 -0.033 0.000 2.072 560 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 560 E C 2.157 178.747 176.600 -0.017 0.000 0.985 560 E CA 0.847 57.247 56.400 0.001 0.000 0.801 560 E CB -0.244 29.454 29.700 -0.003 0.000 0.750 560 E HN 0.458 nan 8.360 nan 0.000 0.452 561 R N 0.335 120.800 120.500 -0.058 0.000 2.073 561 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 561 R C 2.390 178.512 176.300 -0.297 0.000 1.134 561 R CA 1.132 57.146 56.100 -0.144 0.000 0.952 561 R CB -0.963 29.291 30.300 -0.077 0.000 0.850 561 R HN 0.207 nan 8.270 nan 0.000 0.433 562 A N 0.533 123.260 122.820 -0.154 0.000 1.883 562 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 562 A C 2.109 179.674 177.584 -0.033 0.000 1.186 562 A CA 1.445 53.436 52.037 -0.078 0.000 0.624 562 A CB -0.771 18.220 19.000 -0.016 0.000 0.822 562 A HN 0.380 nan 8.150 nan 0.000 0.444 563 Y N 0.839 121.067 120.300 -0.121 0.000 2.184 563 Y HA -0.107 4.442 4.550 -0.000 0.000 0.290 563 Y C 2.779 178.625 175.900 -0.089 0.000 1.129 563 Y CA 2.060 60.121 58.100 -0.066 0.000 1.144 563 Y CB -0.688 37.740 38.460 -0.054 0.000 0.995 563 Y HN 0.309 nan 8.280 nan 0.000 0.513 564 T N 0.689 115.201 114.554 -0.070 0.000 2.777 564 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 564 T C 1.617 176.188 174.700 -0.214 0.000 1.040 564 T CA 1.730 63.742 62.100 -0.146 0.000 1.141 564 T CB -0.382 68.436 68.868 -0.084 0.000 0.868 564 T HN 0.239 nan 8.240 nan 0.000 0.444 565 L N 0.927 121.958 121.223 -0.320 0.000 2.628 565 L HA 0.284 4.624 4.340 -0.000 0.000 0.229 565 L C 0.080 176.791 176.870 -0.265 0.000 1.137 565 L CA -0.175 54.440 54.840 -0.375 0.000 0.909 565 L CB -0.299 41.360 42.059 -0.666 0.000 1.137 565 L HN 0.230 nan 8.230 nan 0.000 0.470 566 N N -0.453 118.143 118.700 -0.174 0.000 2.756 566 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 566 N C -0.712 174.920 175.510 0.204 0.000 1.062 566 N CA 0.682 53.727 53.050 -0.007 0.000 0.696 566 N CB -1.186 37.301 38.487 0.001 0.000 0.946 566 N HN 0.209 nan 8.380 nan 0.000 0.548 567 Y N 0.323 120.678 120.300 0.091 0.000 2.392 567 Y HA 0.574 5.124 4.550 -0.000 0.000 0.323 567 Y C 1.410 177.390 175.900 0.134 0.000 1.291 567 Y CA -0.580 57.591 58.100 0.119 0.000 1.345 567 Y CB 0.873 39.444 38.460 0.184 0.000 1.320 567 Y HN -0.027 nan 8.280 nan 0.000 0.518 568 T N -0.141 114.513 114.554 0.167 0.000 2.906 568 T HA 0.313 4.662 4.350 -0.000 0.000 0.295 568 T C -1.272 173.142 174.700 -0.477 0.000 1.075 568 T CA -0.519 61.520 62.100 -0.102 0.000 1.005 568 T CB 0.762 69.583 68.868 -0.078 0.000 1.136 568 T HN 0.765 nan 8.240 nan 0.000 0.498 569 C N 6.359 125.185 119.300 -0.790 0.000 2.464 569 C HA 0.600 5.060 4.460 -0.000 0.000 0.370 569 C C -2.004 172.692 174.990 -0.491 0.000 1.267 569 C CA -1.697 56.768 59.018 -0.922 0.000 1.781 569 C CB -0.402 26.836 27.740 -0.836 0.000 2.431 569 C HN 0.618 nan 8.230 nan 0.000 0.556 570 P HA 0.265 nan 4.420 nan 0.000 0.275 570 P C -0.353 176.577 177.300 -0.616 0.000 1.228 570 P CA 0.271 63.092 63.100 -0.464 0.000 0.786 570 P CB 0.964 32.371 31.700 -0.490 0.000 0.927 571 T N -0.849 113.393 114.554 -0.520 0.000 2.945 571 T HA 0.647 4.997 4.350 -0.000 0.000 0.286 571 T C -0.342 174.003 174.700 -0.593 0.000 1.025 571 T CA -0.538 61.254 62.100 -0.514 0.000 1.039 571 T CB 0.537 69.269 68.868 -0.227 0.000 1.068 571 T HN 0.100 nan 8.240 nan 0.000 0.497 572 F N 1.095 121.005 119.950 -0.066 0.000 2.443 572 F HA 0.636 5.163 4.527 -0.000 0.000 0.335 572 F C 0.465 176.262 175.800 -0.005 0.000 1.104 572 F CA -1.556 56.419 58.000 -0.040 0.000 1.013 572 F CB 1.205 40.178 39.000 -0.045 0.000 1.136 572 F HN 0.654 nan 8.300 nan 0.000 0.470 573 I N -1.445 119.247 120.570 0.203 0.000 2.982 573 I HA 0.545 4.715 4.170 -0.000 0.000 0.312 573 I C 0.101 176.302 176.117 0.141 0.000 1.041 573 I CA -0.823 60.556 61.300 0.132 0.000 1.053 573 I CB 1.668 39.721 38.000 0.088 0.000 1.248 573 I HN 0.400 nan 8.210 nan 0.000 0.471 574 D N 1.362 121.824 120.400 0.103 0.000 2.162 574 D HA 0.031 4.671 4.640 -0.000 0.000 0.203 574 D C 0.300 176.671 176.300 0.119 0.000 0.967 574 D CA 1.422 55.478 54.000 0.093 0.000 0.840 574 D CB 0.250 41.091 40.800 0.067 0.000 0.972 574 D HN 0.479 nan 8.370 nan 0.000 0.482 575 K N 0.948 121.420 120.400 0.120 0.000 2.139 575 K HA 0.317 4.637 4.320 -0.000 0.000 0.243 575 K C -2.471 174.218 176.600 0.148 0.000 0.983 575 K CA -1.829 54.545 56.287 0.145 0.000 0.890 575 K CB 1.374 33.930 32.500 0.092 0.000 1.090 575 K HN -0.119 nan 8.250 nan 0.000 0.445 576 P HA 0.084 nan 4.420 nan 0.000 0.268 576 P C -0.493 176.853 177.300 0.077 0.000 1.204 576 P CA 0.027 63.200 63.100 0.123 0.000 0.768 576 P CB 0.803 32.517 31.700 0.023 0.000 0.842 577 G N 1.684 110.536 108.800 0.088 0.000 2.377 577 G HA2 0.498 4.458 3.960 -0.000 0.000 0.297 577 G HA3 0.498 4.458 3.960 -0.000 0.000 0.297 577 G C -1.965 172.976 174.900 0.069 0.000 1.547 577 G CA -0.666 44.471 45.100 0.063 0.000 0.833 577 G HN 0.404 nan 8.290 nan 0.000 0.583 578 I N 0.597 121.194 120.570 0.046 0.000 2.571 578 I HA 0.442 4.612 4.170 -0.000 0.000 0.286 578 I C -0.369 175.759 176.117 0.019 0.000 1.134 578 I CA -0.708 60.613 61.300 0.034 0.000 1.052 578 I CB 2.422 40.440 38.000 0.030 0.000 1.237 578 I HN 0.294 nan 8.210 nan 0.000 0.435 579 R N 6.809 127.313 120.500 0.007 0.000 2.337 579 R HA 0.698 5.038 4.340 -0.000 0.000 0.319 579 R C -1.090 175.205 176.300 -0.008 0.000 0.954 579 R CA -0.606 55.497 56.100 0.005 0.000 0.840 579 R CB 2.045 32.346 30.300 0.001 0.000 1.164 579 R HN 0.531 nan 8.270 nan 0.000 0.472 580 I N 1.962 122.535 120.570 0.005 0.000 2.406 580 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 580 I C -0.138 175.992 176.117 0.022 0.000 0.999 580 I CA -0.587 60.713 61.300 0.000 0.000 1.124 580 I CB 2.451 40.450 38.000 -0.000 0.000 1.289 580 I HN 0.402 nan 8.210 nan 0.000 0.441 581 T N 5.056 119.617 114.554 0.012 0.000 2.758 581 T HA 0.221 4.571 4.350 -0.000 0.000 0.285 581 T C -0.167 174.556 174.700 0.038 0.000 0.981 581 T CA -0.407 61.709 62.100 0.027 0.000 0.965 581 T CB 0.822 69.698 68.868 0.013 0.000 0.927 581 T HN 0.534 nan 8.240 nan 0.000 0.448 582 E N 1.026 121.265 120.200 0.064 0.000 2.230 582 E HA -0.135 4.215 4.350 -0.000 0.000 0.206 582 E C 0.513 177.170 176.600 0.096 0.000 1.309 582 E CA 0.637 57.089 56.400 0.086 0.000 0.697 582 E CB -1.317 28.426 29.700 0.071 0.000 1.146 582 E HN 0.915 nan 8.360 nan 0.000 0.363 583 G N 0.517 109.382 108.800 0.108 0.000 2.476 583 G HA2 0.533 4.493 3.960 -0.000 0.000 0.269 583 G HA3 0.533 4.493 3.960 -0.000 0.000 0.269 583 G C 0.073 175.076 174.900 0.172 0.000 1.195 583 G CA -0.558 44.593 45.100 0.085 0.000 0.843 583 G HN 0.084 nan 8.290 nan 0.000 0.545 584 R N -0.636 119.911 120.500 0.079 0.000 2.795 584 R HA 0.318 4.658 4.340 -0.000 0.000 0.275 584 R C -0.610 175.608 176.300 -0.136 0.000 0.981 584 R CA -0.979 55.139 56.100 0.029 0.000 0.917 584 R CB 1.468 31.659 30.300 -0.181 0.000 1.202 584 R HN 0.624 nan 8.270 nan 0.000 0.469 585 H N 4.351 123.184 119.070 -0.396 0.000 2.819 585 H HA 0.109 4.665 4.556 -0.000 0.000 0.303 585 H C -1.673 173.445 175.328 -0.350 0.000 1.058 585 H CA -1.974 53.925 56.048 -0.247 0.000 1.471 585 H CB 1.351 31.087 29.762 -0.044 0.000 1.480 585 H HN 0.354 nan 8.280 nan 0.000 0.517 586 P HA -0.110 nan 4.420 nan 0.000 0.223 586 P C 1.235 178.594 177.300 0.098 0.000 1.151 586 P CA 0.496 63.583 63.100 -0.023 0.000 0.787 586 P CB 0.767 32.418 31.700 -0.082 0.000 0.788 587 V N -0.232 119.850 119.914 0.280 0.000 2.436 587 V HA -0.095 4.025 4.120 -0.000 0.000 0.240 587 V C 2.756 178.885 176.094 0.058 0.000 1.040 587 V CA 1.009 63.417 62.300 0.180 0.000 1.052 587 V CB -1.110 30.844 31.823 0.219 0.000 0.707 587 V HN -0.129 nan 8.190 nan 0.000 0.469 588 V N 1.880 121.759 119.914 -0.058 0.000 2.324 588 V HA -0.340 3.780 4.120 -0.000 0.000 0.250 588 V C 2.575 178.660 176.094 -0.015 0.000 1.060 588 V CA 2.578 64.821 62.300 -0.095 0.000 1.042 588 V CB -1.058 30.692 31.823 -0.121 0.000 0.650 588 V HN 0.900 nan 8.190 nan 0.000 0.450 589 E N -0.226 119.856 120.200 -0.197 0.000 2.333 589 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 589 E C 1.911 178.503 176.600 -0.013 0.000 1.007 589 E CA 1.129 57.435 56.400 -0.157 0.000 0.845 589 E CB -0.182 29.284 29.700 -0.390 0.000 0.766 589 E HN 0.560 nan 8.360 nan 0.000 0.507 590 Q N 0.194 119.993 119.800 -0.001 0.000 2.391 590 Q HA 0.092 4.432 4.340 -0.000 0.000 0.211 590 Q C 2.201 178.215 176.000 0.024 0.000 0.908 590 Q CA 0.628 56.441 55.803 0.017 0.000 0.920 590 Q CB 0.782 29.532 28.738 0.021 0.000 1.056 590 Q HN 0.297 nan 8.270 nan 0.000 0.523 591 V N 0.536 120.466 119.914 0.028 0.000 2.403 591 V HA 0.025 4.145 4.120 -0.000 0.000 0.239 591 V C 1.312 177.428 176.094 0.037 0.000 1.041 591 V CA 0.431 62.748 62.300 0.028 0.000 1.051 591 V CB -0.138 31.699 31.823 0.023 0.000 0.704 591 V HN 0.178 nan 8.190 nan 0.000 0.472 592 L N 2.313 123.569 121.223 0.054 0.000 2.462 592 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 592 L C 0.775 177.678 176.870 0.054 0.000 1.166 592 L CA 0.139 55.014 54.840 0.058 0.000 0.880 592 L CB 0.006 42.115 42.059 0.084 0.000 1.142 592 L HN 0.320 nan 8.230 nan 0.000 0.473 593 N N 2.938 121.659 118.700 0.035 0.000 2.410 593 N HA 0.044 4.784 4.740 -0.000 0.000 0.231 593 N C -0.261 175.264 175.510 0.024 0.000 1.172 593 N CA 0.266 53.333 53.050 0.028 0.000 0.849 593 N CB 0.288 38.786 38.487 0.019 0.000 1.116 593 N HN 0.603 nan 8.380 nan 0.000 0.485 594 E N 0.769 120.987 120.200 0.030 0.000 2.266 594 E HA 0.339 4.689 4.350 -0.000 0.000 0.268 594 E C -2.446 174.175 176.600 0.034 0.000 0.879 594 E CA -2.128 54.279 56.400 0.012 0.000 0.762 594 E CB 1.891 31.580 29.700 -0.018 0.000 1.199 594 E HN -0.018 nan 8.360 nan 0.000 0.422 595 P HA -0.086 nan 4.420 nan 0.000 0.260 595 P C -0.833 176.506 177.300 0.066 0.000 1.172 595 P CA 0.380 63.509 63.100 0.049 0.000 0.760 595 P CB 0.030 31.737 31.700 0.011 0.000 0.773 596 F N 4.584 124.544 119.950 0.017 0.000 2.427 596 F HA 0.219 4.746 4.527 -0.000 0.000 0.352 596 F C 0.517 176.349 175.800 0.054 0.000 1.100 596 F CA -0.578 57.447 58.000 0.043 0.000 1.191 596 F CB 0.452 39.495 39.000 0.072 0.000 1.128 596 F HN 0.161 nan 8.300 nan 0.000 0.533 597 I N 6.603 126.884 120.570 -0.481 0.000 2.312 597 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 597 I C 0.513 176.573 176.117 -0.094 0.000 1.031 597 I CA -0.424 60.754 61.300 -0.203 0.000 1.293 597 I CB 0.315 38.204 38.000 -0.184 0.000 1.403 597 I HN 0.655 nan 8.210 nan 0.000 0.484 598 A N 7.590 130.502 122.820 0.153 0.000 2.351 598 A HA 0.499 4.819 4.320 -0.000 0.000 0.257 598 A C 0.063 177.737 177.584 0.149 0.000 1.087 598 A CA -0.338 51.846 52.037 0.244 0.000 0.798 598 A CB 0.375 19.501 19.000 0.209 0.000 1.033 598 A HN 0.797 nan 8.150 nan 0.000 0.488 599 N N 0.924 119.743 118.700 0.199 0.000 2.277 599 N HA 0.548 5.288 4.740 -0.000 0.000 0.286 599 N C -3.074 172.556 175.510 0.200 0.000 1.140 599 N CA -0.923 52.230 53.050 0.171 0.000 0.799 599 N CB 2.785 41.405 38.487 0.222 0.000 1.596 599 N HN 0.458 nan 8.380 nan 0.000 0.473 600 P HA 0.443 nan 4.420 nan 0.000 0.279 600 P C -1.072 176.349 177.300 0.202 0.000 1.276 600 P CA -0.529 62.651 63.100 0.134 0.000 0.801 600 P CB 1.510 33.258 31.700 0.081 0.000 1.127 601 L N 0.572 121.875 121.223 0.133 0.000 2.549 601 L HA 0.550 4.890 4.340 -0.000 0.000 0.259 601 L C -1.771 175.142 176.870 0.072 0.000 0.934 601 L CA -0.354 54.565 54.840 0.131 0.000 0.865 601 L CB 1.828 43.926 42.059 0.066 0.000 1.352 601 L HN 0.318 nan 8.230 nan 0.000 0.410 602 N N 4.992 123.734 118.700 0.070 0.000 2.648 602 N HA 0.501 5.241 4.740 -0.000 0.000 0.261 602 N C -2.124 173.411 175.510 0.042 0.000 1.138 602 N CA -0.207 52.870 53.050 0.046 0.000 0.804 602 N CB 0.677 39.189 38.487 0.041 0.000 1.237 602 N HN 0.666 nan 8.380 nan 0.000 0.532 603 L N 1.758 123.002 121.223 0.035 0.000 2.322 603 L HA 0.682 5.022 4.340 -0.000 0.000 0.281 603 L C 0.046 176.929 176.870 0.023 0.000 1.014 603 L CA -0.579 54.279 54.840 0.029 0.000 0.815 603 L CB 1.719 43.796 42.059 0.029 0.000 1.247 603 L HN 0.647 nan 8.230 nan 0.000 0.421 604 S N 1.647 117.356 115.700 0.015 0.000 2.656 604 S HA 0.534 5.004 4.470 -0.000 0.000 0.273 604 S C -2.600 171.997 174.600 -0.004 0.000 1.168 604 S CA -1.139 57.068 58.200 0.010 0.000 0.817 604 S CB 1.899 65.106 63.200 0.011 0.000 1.146 604 S HN 0.267 nan 8.310 nan 0.000 0.475 605 P HA -0.013 nan 4.420 nan 0.000 0.221 605 P C 0.762 178.046 177.300 -0.026 0.000 1.145 605 P CA 1.282 64.365 63.100 -0.028 0.000 0.795 605 P CB 0.006 31.690 31.700 -0.026 0.000 0.775 606 Q N -2.048 117.743 119.800 -0.016 0.000 2.384 606 Q HA 0.132 4.471 4.340 -0.000 0.000 0.207 606 Q C 0.888 176.879 176.000 -0.016 0.000 0.904 606 Q CA 0.339 56.132 55.803 -0.016 0.000 0.933 606 Q CB 0.347 29.079 28.738 -0.009 0.000 1.077 606 Q HN 0.048 nan 8.270 nan 0.000 0.522 607 R N 0.811 121.305 120.500 -0.011 0.000 2.734 607 R HA 0.310 4.650 4.340 -0.000 0.000 0.268 607 R C -0.923 175.375 176.300 -0.005 0.000 1.785 607 R CA -0.136 55.960 56.100 -0.006 0.000 1.461 607 R CB 0.406 30.710 30.300 0.006 0.000 1.308 607 R HN 0.014 nan 8.270 nan 0.000 0.586 611 I N 4.287 124.912 120.570 0.090 0.000 2.337 611 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 611 I C 0.193 176.400 176.117 0.149 0.000 1.046 611 I CA 0.031 61.414 61.300 0.138 0.000 1.324 611 I CB 0.979 39.010 38.000 0.051 0.000 1.409 611 I HN 0.408 nan 8.210 nan 0.000 0.494 612 I N 6.792 127.469 120.570 0.178 0.000 2.328 612 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 612 I C 0.672 176.879 176.117 0.151 0.000 1.012 612 I CA -0.333 61.056 61.300 0.150 0.000 1.195 612 I CB 1.358 39.443 38.000 0.141 0.000 1.350 612 I HN 0.569 nan 8.210 nan 0.000 0.464 613 T N 2.059 116.718 114.554 0.176 0.000 2.937 613 T HA 0.938 5.288 4.350 -0.000 0.000 0.283 613 T C 0.275 175.101 174.700 0.211 0.000 1.012 613 T CA -0.425 61.789 62.100 0.191 0.000 0.997 613 T CB 2.036 71.030 68.868 0.210 0.000 1.136 613 T HN 1.038 nan 8.240 nan 0.000 0.551 614 G N 0.535 109.463 108.800 0.213 0.000 2.462 614 G HA2 0.191 4.151 3.960 -0.000 0.000 0.685 614 G HA3 0.191 4.151 3.960 -0.000 0.000 0.685 614 G C -3.282 171.730 174.900 0.186 0.000 1.295 614 G CA -0.908 44.339 45.100 0.245 0.000 0.941 614 G HN 0.805 nan 8.290 nan 0.000 0.554 615 P HA 0.212 nan 4.420 nan 0.000 0.268 615 P C 0.064 177.335 177.300 -0.050 0.000 1.205 615 P CA -0.308 62.833 63.100 0.069 0.000 0.771 615 P CB 0.697 32.417 31.700 0.033 0.000 0.858 619 G N 1.353 109.964 108.800 -0.315 0.000 2.421 619 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.216 619 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.216 619 G C 1.607 176.348 174.900 -0.264 0.000 1.171 619 G CA 1.577 46.307 45.100 -0.616 0.000 0.775 619 G HN 0.446 nan 8.290 nan 0.000 0.543 620 K N 0.482 120.805 120.400 -0.128 0.000 2.001 620 K HA -0.033 4.287 4.320 -0.000 0.000 0.208 620 K C 2.986 179.625 176.600 0.064 0.000 1.048 620 K CA 1.382 57.670 56.287 0.002 0.000 0.932 620 K CB -0.214 32.289 32.500 0.006 0.000 0.715 620 K HN 0.233 nan 8.250 nan 0.000 0.437 621 S N 0.492 116.199 115.700 0.012 0.000 2.383 621 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 621 S C 2.000 176.649 174.600 0.082 0.000 1.030 621 S CA 1.704 59.924 58.200 0.034 0.000 1.002 621 S CB -0.364 62.839 63.200 0.005 0.000 0.829 621 S HN 0.341 nan 8.310 nan 0.000 0.467 622 T N 0.748 115.350 114.554 0.079 0.000 2.737 622 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 622 T C 0.884 175.746 174.700 0.271 0.000 1.038 622 T CA 0.851 63.060 62.100 0.182 0.000 1.144 622 T CB -0.344 68.596 68.868 0.120 0.000 0.866 622 T HN 0.453 nan 8.240 nan 0.000 0.434 626 Q N 0.914 120.676 119.800 -0.063 0.000 2.224 626 Q HA -0.010 4.330 4.340 -0.000 0.000 0.203 626 Q C 0.819 176.707 176.000 -0.187 0.000 0.970 626 Q CA 1.913 57.587 55.803 -0.214 0.000 0.865 626 Q CB -0.080 28.645 28.738 -0.021 0.000 0.922 626 Q HN 0.039 nan 8.270 nan 0.000 0.445 627 T N 1.193 115.637 114.554 -0.184 0.000 2.708 627 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 627 T C 1.941 176.574 174.700 -0.111 0.000 1.037 627 T CA 1.494 63.488 62.100 -0.176 0.000 1.146 627 T CB -0.331 68.400 68.868 -0.228 0.000 0.865 627 T HN 0.539 nan 8.240 nan 0.000 0.435 628 A N 0.847 123.609 122.820 -0.097 0.000 1.969 628 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 628 A C 2.247 179.786 177.584 -0.076 0.000 1.169 628 A CA 1.071 53.069 52.037 -0.064 0.000 0.635 628 A CB -0.696 18.275 19.000 -0.048 0.000 0.810 628 A HN 0.474 nan 8.150 nan 0.000 0.445 629 L N -0.635 120.508 121.223 -0.133 0.000 2.109 629 L HA -0.100 4.239 4.340 -0.000 0.000 0.207 629 L C 2.402 179.194 176.870 -0.129 0.000 1.086 629 L CA 0.909 55.656 54.840 -0.154 0.000 0.760 629 L CB -0.397 41.495 42.059 -0.279 0.000 0.910 629 L HN 0.360 nan 8.230 nan 0.000 0.437 630 I N -0.168 120.319 120.570 -0.139 0.000 2.252 630 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 630 I C 2.800 178.890 176.117 -0.045 0.000 1.102 630 I CA 1.138 62.364 61.300 -0.123 0.000 1.385 630 I CB -0.451 37.472 38.000 -0.129 0.000 1.064 630 I HN 0.207 nan 8.210 nan 0.000 0.414 631 A N 0.919 123.742 122.820 0.005 0.000 1.877 631 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 631 A C 1.597 179.295 177.584 0.189 0.000 1.186 631 A CA 0.818 52.932 52.037 0.129 0.000 0.620 631 A CB -0.684 18.381 19.000 0.109 0.000 0.822 631 A HN 0.286 nan 8.150 nan 0.000 0.443 635 Y N 0.391 120.771 120.300 0.133 0.000 2.495 635 Y HA 0.446 4.995 4.550 -0.000 0.000 0.293 635 Y C 1.451 177.368 175.900 0.029 0.000 1.186 635 Y CA 0.615 58.765 58.100 0.085 0.000 1.266 635 Y CB 0.487 38.966 38.460 0.032 0.000 1.101 635 Y HN 0.438 nan 8.280 nan 0.000 0.517 636 I N -1.607 119.042 120.570 0.132 0.000 4.181 636 I HA 0.204 4.373 4.170 -0.000 0.000 0.331 636 I C 1.369 177.533 176.117 0.078 0.000 1.312 636 I CA 0.834 62.195 61.300 0.103 0.000 1.146 636 I CB 0.420 38.530 38.000 0.182 0.000 1.074 636 I HN 0.319 nan 8.210 nan 0.000 0.402 637 G N 1.209 110.069 108.800 0.101 0.000 2.179 637 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 637 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 637 G C 0.408 175.426 174.900 0.197 0.000 0.990 637 G CA 0.441 45.616 45.100 0.126 0.000 0.646 637 G HN 0.454 nan 8.290 nan 0.000 0.517 638 S N -0.743 115.077 115.700 0.200 0.000 2.652 638 S HA 0.717 5.187 4.470 -0.000 0.000 0.270 638 S C 0.556 175.353 174.600 0.329 0.000 1.243 638 S CA -0.576 57.772 58.200 0.247 0.000 0.999 638 S CB 0.641 63.964 63.200 0.205 0.000 0.973 638 S HN 0.294 nan 8.310 nan 0.000 0.544 639 Y N 0.780 121.147 120.300 0.112 0.000 2.299 639 Y HA 0.440 4.990 4.550 -0.000 0.000 0.335 639 Y C 0.726 176.603 175.900 -0.038 0.000 1.287 639 Y CA -1.011 57.144 58.100 0.091 0.000 1.424 639 Y CB 0.611 39.196 38.460 0.208 0.000 1.326 639 Y HN 0.545 nan 8.280 nan 0.000 0.567 640 V N -0.682 119.192 119.914 -0.066 0.000 3.040 640 V HA 0.598 4.718 4.120 -0.000 0.000 0.312 640 V C -2.832 172.959 176.094 -0.504 0.000 1.115 640 V CA -2.931 59.117 62.300 -0.421 0.000 0.998 640 V CB 2.124 33.792 31.823 -0.258 0.000 1.042 640 V HN 0.594 nan 8.190 nan 0.000 0.433 641 P HA 0.496 nan 4.420 nan 0.000 0.256 641 P C -0.314 176.929 177.300 -0.095 0.000 1.688 641 P CA 0.605 63.526 63.100 -0.299 0.000 1.162 641 P CB 0.338 31.857 31.700 -0.302 0.000 1.870 642 A N 2.957 125.763 122.820 -0.024 0.000 2.566 642 A HA 0.330 4.650 4.320 -0.000 0.000 0.290 642 A C 0.750 178.340 177.584 0.011 0.000 1.071 642 A CA -0.453 51.581 52.037 -0.006 0.000 0.658 642 A CB 0.698 19.670 19.000 -0.047 0.000 1.285 642 A HN 0.156 nan 8.150 nan 0.000 0.427 643 Q N 0.128 119.936 119.800 0.014 0.000 2.269 643 Q HA 0.126 4.466 4.340 -0.000 0.000 0.201 643 Q C 0.135 176.122 176.000 -0.022 0.000 0.946 643 Q CA 1.193 57.001 55.803 0.008 0.000 0.877 643 Q CB 0.277 29.025 28.738 0.017 0.000 0.963 643 Q HN 0.533 nan 8.270 nan 0.000 0.472 644 K N -0.362 120.016 120.400 -0.036 0.000 2.569 644 K HA 0.392 4.711 4.320 -0.000 0.000 0.259 644 K C -1.904 174.651 176.600 -0.074 0.000 0.932 644 K CA -0.241 56.009 56.287 -0.062 0.000 0.833 644 K CB 2.122 34.596 32.500 -0.043 0.000 1.340 644 K HN -0.211 nan 8.250 nan 0.000 0.429 645 V N 3.089 122.933 119.914 -0.116 0.000 2.686 645 V HA 0.392 4.512 4.120 -0.000 0.000 0.306 645 V C -1.133 174.871 176.094 -0.150 0.000 1.065 645 V CA -0.792 61.435 62.300 -0.122 0.000 0.894 645 V CB 1.994 33.727 31.823 -0.150 0.000 1.004 645 V HN 0.758 nan 8.190 nan 0.000 0.424 646 E N 4.629 124.768 120.200 -0.102 0.000 2.199 646 E HA 0.704 5.054 4.350 -0.000 0.000 0.265 646 E C -1.106 175.467 176.600 -0.046 0.000 0.882 646 E CA -0.555 55.788 56.400 -0.096 0.000 0.759 646 E CB 3.249 32.919 29.700 -0.050 0.000 1.148 646 E HN 0.581 nan 8.360 nan 0.000 0.412 647 I N 1.446 122.000 120.570 -0.028 0.000 2.656 647 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 647 I C -0.149 176.107 176.117 0.232 0.000 1.144 647 I CA -0.511 60.846 61.300 0.094 0.000 1.038 647 I CB 1.683 39.743 38.000 0.101 0.000 1.244 647 I HN 0.657 nan 8.210 nan 0.000 0.420 648 G N 5.609 114.551 108.800 0.237 0.000 2.532 648 G HA2 0.590 4.550 3.960 -0.000 0.000 0.291 648 G HA3 0.590 4.550 3.960 -0.000 0.000 0.291 648 G C -2.894 172.198 174.900 0.320 0.000 1.349 648 G CA -1.269 43.987 45.100 0.259 0.000 1.038 648 G HN 0.373 nan 8.290 nan 0.000 0.518 649 P HA 0.357 nan 4.420 nan 0.000 0.271 649 P C -0.659 176.668 177.300 0.046 0.000 1.218 649 P CA 0.081 63.235 63.100 0.091 0.000 0.780 649 P CB 0.978 32.666 31.700 -0.019 0.000 0.901 650 I N 2.182 122.636 120.570 -0.193 0.000 2.569 650 I HA 0.189 4.358 4.170 -0.000 0.000 0.290 650 I C 0.685 176.680 176.117 -0.204 0.000 1.088 650 I CA -0.464 60.751 61.300 -0.142 0.000 1.047 650 I CB 2.547 40.413 38.000 -0.223 0.000 1.237 650 I HN 0.380 nan 8.210 nan 0.000 0.421 651 D N 4.989 125.346 120.400 -0.072 0.000 2.324 651 D HA 0.079 4.719 4.640 -0.000 0.000 0.212 651 D C 0.455 176.677 176.300 -0.130 0.000 0.984 651 D CA 0.531 54.470 54.000 -0.101 0.000 0.885 651 D CB 0.500 41.288 40.800 -0.020 0.000 0.996 651 D HN 0.398 nan 8.370 nan 0.000 0.505 652 R N -0.650 119.770 120.500 -0.133 0.000 2.739 652 R HA 0.672 5.012 4.340 -0.000 0.000 0.271 652 R C -1.083 175.023 176.300 -0.322 0.000 1.010 652 R CA -0.717 55.206 56.100 -0.295 0.000 0.897 652 R CB 2.334 32.351 30.300 -0.473 0.000 1.236 652 R HN -0.080 nan 8.270 nan 0.000 0.466 653 I N 2.072 122.391 120.570 -0.419 0.000 2.436 653 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 653 I C -1.150 174.744 176.117 -0.371 0.000 1.010 653 I CA -0.545 60.600 61.300 -0.258 0.000 1.098 653 I CB 1.294 39.214 38.000 -0.134 0.000 1.266 653 I HN 0.363 nan 8.210 nan 0.000 0.434 654 F N 3.499 123.451 119.950 0.002 0.000 2.444 654 F HA 0.445 4.972 4.527 -0.000 0.000 0.342 654 F C 0.467 176.269 175.800 0.003 0.000 1.121 654 F CA -0.708 57.296 58.000 0.006 0.000 0.997 654 F CB 2.047 41.055 39.000 0.013 0.000 1.130 654 F HN 0.292 nan 8.300 nan 0.000 0.454 655 T N 0.225 114.873 114.554 0.157 0.000 3.141 655 T HA 0.315 4.665 4.350 -0.000 0.000 0.377 655 T C -0.463 174.279 174.700 0.071 0.000 1.258 655 T CA -0.987 61.166 62.100 0.089 0.000 1.263 655 T CB 0.405 69.300 68.868 0.046 0.000 1.066 655 T HN 0.559 nan 8.240 nan 0.000 0.546 656 R N 3.201 123.737 120.500 0.061 0.000 3.701 656 R HA 0.549 4.889 4.340 -0.000 0.000 0.210 656 R C -1.094 175.207 176.300 0.002 0.000 1.598 656 R CA -0.200 55.916 56.100 0.026 0.000 1.427 656 R CB -0.802 29.503 30.300 0.009 0.000 1.339 656 R HN 0.521 nan 8.270 nan 0.000 0.720 657 V N 2.268 122.189 119.914 0.011 0.000 2.715 657 V HA 0.842 4.962 4.120 -0.000 0.000 0.310 657 V C 0.624 176.720 176.094 0.005 0.000 1.054 657 V CA 0.026 62.329 62.300 0.004 0.000 0.928 657 V CB 1.585 33.418 31.823 0.018 0.000 1.007 657 V HN 0.907 nan 8.190 nan 0.000 0.437 676 E N 1.260 121.445 120.200 -0.025 0.000 2.110 676 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 676 E C 1.796 178.393 176.600 -0.005 0.000 0.988 676 E CA 1.693 58.094 56.400 0.002 0.000 0.804 676 E CB -0.056 29.647 29.700 0.005 0.000 0.745 676 E HN 0.376 nan 8.360 nan 0.000 0.458 677 T N 0.588 115.120 114.554 -0.036 0.000 2.821 677 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 677 T C 1.935 176.601 174.700 -0.057 0.000 1.046 677 T CA 1.066 63.139 62.100 -0.045 0.000 1.139 677 T CB -0.162 68.678 68.868 -0.046 0.000 0.871 677 T HN 0.242 nan 8.240 nan 0.000 0.454 678 A N 2.138 124.936 122.820 -0.037 0.000 1.908 678 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 678 A C 2.214 179.831 177.584 0.055 0.000 1.181 678 A CA 1.885 53.917 52.037 -0.009 0.000 0.627 678 A CB -0.958 18.078 19.000 0.060 0.000 0.818 678 A HN 0.621 nan 8.150 nan 0.000 0.445 679 N N -0.048 118.689 118.700 0.062 0.000 2.036 679 N HA -0.190 4.550 4.740 -0.000 0.000 0.195 679 N C 1.821 177.326 175.510 -0.007 0.000 1.037 679 N CA 1.975 55.076 53.050 0.084 0.000 0.855 679 N CB -0.243 38.299 38.487 0.092 0.000 1.033 679 N HN 0.537 nan 8.380 nan 0.000 0.423 680 I N 1.184 121.662 120.570 -0.153 0.000 2.179 680 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 680 I C 2.269 178.130 176.117 -0.427 0.000 1.088 680 I CA 0.963 61.942 61.300 -0.536 0.000 1.357 680 I CB -0.250 37.481 38.000 -0.448 0.000 1.051 680 I HN 0.190 nan 8.210 nan 0.000 0.409 681 L N -0.488 120.587 121.223 -0.248 0.000 2.141 681 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 681 L C 2.566 179.319 176.870 -0.196 0.000 1.094 681 L CA 1.016 55.719 54.840 -0.228 0.000 0.763 681 L CB -0.818 41.104 42.059 -0.228 0.000 0.908 681 L HN 0.370 nan 8.230 nan 0.000 0.437 682 H N -0.366 118.643 119.070 -0.101 0.000 2.470 682 H HA 0.046 4.602 4.556 -0.000 0.000 0.289 682 H C 1.573 176.878 175.328 -0.037 0.000 1.033 682 H CA 0.921 56.936 56.048 -0.054 0.000 1.331 682 H CB 0.371 30.115 29.762 -0.030 0.000 1.414 682 H HN 0.384 nan 8.280 nan 0.000 0.545 683 N N -0.158 118.576 118.700 0.057 0.000 2.382 683 N HA 0.100 4.840 4.740 -0.000 0.000 0.200 683 N C 0.644 176.236 175.510 0.135 0.000 1.122 683 N CA 0.142 53.264 53.050 0.119 0.000 0.870 683 N CB 1.016 39.644 38.487 0.235 0.000 1.176 683 N HN 0.050 nan 8.380 nan 0.000 0.474 684 A N 1.339 124.086 122.820 -0.122 0.000 2.466 684 A HA 0.410 4.730 4.320 -0.000 0.000 0.238 684 A C 0.848 178.469 177.584 0.062 0.000 1.074 684 A CA 0.343 52.362 52.037 -0.030 0.000 0.774 684 A CB 0.136 18.884 19.000 -0.421 0.000 1.015 684 A HN 0.291 nan 8.150 nan 0.000 0.498 685 T N -2.243 112.391 114.554 0.132 0.000 2.742 685 T HA 0.464 4.814 4.350 -0.000 0.000 0.282 685 T C 0.666 175.379 174.700 0.022 0.000 1.025 685 T CA 0.128 62.276 62.100 0.080 0.000 1.020 685 T CB 0.991 69.948 68.868 0.149 0.000 1.317 685 T HN 0.773 nan 8.240 nan 0.000 0.538 686 E N -0.444 119.703 120.200 -0.089 0.000 2.510 686 E HA -0.116 4.234 4.350 -0.000 0.000 0.202 686 E C 0.068 176.440 176.600 -0.380 0.000 1.072 686 E CA 0.894 57.142 56.400 -0.255 0.000 0.883 686 E CB -0.465 29.005 29.700 -0.382 0.000 0.818 686 E HN 0.725 nan 8.360 nan 0.000 0.548 687 Y N 0.701 121.020 120.300 0.032 0.000 2.507 687 Y HA 0.320 4.869 4.550 -0.000 0.000 0.254 687 Y C 0.441 176.358 175.900 0.028 0.000 1.171 687 Y CA -0.392 57.719 58.100 0.019 0.000 1.238 687 Y CB 0.872 39.330 38.460 -0.002 0.000 1.148 687 Y HN -0.089 nan 8.280 nan 0.000 0.525 688 S N 1.022 116.822 115.700 0.165 0.000 2.616 688 S HA 0.426 4.896 4.470 -0.000 0.000 0.277 688 S C -0.933 173.765 174.600 0.163 0.000 1.234 688 S CA -0.534 57.789 58.200 0.205 0.000 1.028 688 S CB 1.317 64.760 63.200 0.406 0.000 0.988 688 S HN 0.149 nan 8.310 nan 0.000 0.522 689 L N 4.000 125.316 121.223 0.154 0.000 2.287 689 L HA 0.620 4.960 4.340 -0.000 0.000 0.287 689 L C -1.165 175.829 176.870 0.208 0.000 1.022 689 L CA -0.240 54.674 54.840 0.123 0.000 0.814 689 L CB 0.883 42.977 42.059 0.058 0.000 1.217 689 L HN 0.400 nan 8.230 nan 0.000 0.420 690 V N 6.667 126.688 119.914 0.178 0.000 2.448 690 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 690 V C 0.120 176.290 176.094 0.126 0.000 1.025 690 V CA -0.477 61.938 62.300 0.193 0.000 0.859 690 V CB 1.534 33.427 31.823 0.117 0.000 0.988 690 V HN 0.719 nan 8.190 nan 0.000 0.431 694 E N 2.040 122.144 120.200 -0.161 0.000 2.230 694 E HA -0.238 4.112 4.350 -0.000 0.000 0.206 694 E C 0.557 177.167 176.600 0.017 0.000 1.309 694 E CA 0.727 57.102 56.400 -0.040 0.000 0.697 694 E CB -1.550 28.133 29.700 -0.028 0.000 1.146 694 E HN 0.677 nan 8.360 nan 0.000 0.363 695 I N -2.662 117.897 120.570 -0.017 0.000 2.696 695 I HA 0.413 4.583 4.170 -0.000 0.000 0.284 695 I C 1.375 177.697 176.117 0.342 0.000 1.129 695 I CA 0.825 62.194 61.300 0.116 0.000 1.410 695 I CB 1.118 39.161 38.000 0.071 0.000 1.399 695 I HN 0.291 nan 8.210 nan 0.000 0.579 696 G N 4.804 113.849 108.800 0.408 0.000 2.428 696 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.199 696 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.199 696 G C 0.385 175.555 174.900 0.450 0.000 1.005 696 G CA -0.586 44.849 45.100 0.558 0.000 0.671 696 G HN 0.681 nan 8.290 nan 0.000 0.485 697 R N 0.801 121.469 120.500 0.281 0.000 2.623 697 R HA 0.429 4.769 4.340 -0.000 0.000 0.271 697 R C 1.418 177.815 176.300 0.161 0.000 1.043 697 R CA 1.157 57.314 56.100 0.094 0.000 1.083 697 R CB 0.535 30.790 30.300 -0.075 0.000 0.974 697 R HN 1.472 nan 8.270 nan 0.000 0.436 698 G N 0.600 109.430 108.800 0.050 0.000 2.176 698 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.232 698 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.232 698 G C 0.249 174.989 174.900 -0.266 0.000 0.986 698 G CA 0.444 45.545 45.100 0.002 0.000 0.643 698 G HN 0.762 nan 8.290 nan 0.000 0.522 699 T N -0.672 113.705 114.554 -0.295 0.000 2.681 699 T HA 0.675 5.025 4.350 -0.000 0.000 0.296 699 T C 0.757 175.374 174.700 -0.138 0.000 1.157 699 T CA 1.096 62.948 62.100 -0.412 0.000 1.025 699 T CB 0.997 69.334 68.868 -0.885 0.000 1.441 699 T HN 1.526 nan 8.240 nan 0.000 0.504 700 S N 0.592 116.227 115.700 -0.108 0.000 2.566 700 S HA 0.127 4.597 4.470 -0.000 0.000 0.280 700 S C 1.404 176.044 174.600 0.067 0.000 1.343 700 S CA 0.642 58.825 58.200 -0.028 0.000 1.036 700 S CB 0.226 63.404 63.200 -0.037 0.000 0.866 700 S HN 0.751 nan 8.310 nan 0.000 0.526 701 T N 1.974 116.569 114.554 0.068 0.000 2.607 701 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 701 T C 1.367 176.214 174.700 0.245 0.000 1.049 701 T CA 2.014 64.224 62.100 0.183 0.000 1.162 701 T CB -0.693 68.214 68.868 0.065 0.000 0.863 701 T HN 0.695 nan 8.240 nan 0.000 0.424 702 Y N 1.909 122.212 120.300 0.007 0.000 2.181 702 Y HA -0.081 4.468 4.550 -0.000 0.000 0.288 702 Y C 2.532 178.401 175.900 -0.051 0.000 1.146 702 Y CA 0.206 58.279 58.100 -0.046 0.000 1.164 702 Y CB -1.025 37.409 38.460 -0.043 0.000 0.982 702 Y HN 0.265 nan 8.280 nan 0.000 0.515 703 D N -0.883 119.603 120.400 0.143 0.000 2.117 703 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 703 D C 2.452 178.818 176.300 0.110 0.000 0.987 703 D CA 1.495 55.550 54.000 0.092 0.000 0.829 703 D CB -0.693 40.142 40.800 0.058 0.000 0.961 703 D HN 0.393 nan 8.370 nan 0.000 0.460 704 G N 0.809 109.696 108.800 0.145 0.000 2.403 704 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 704 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 704 G C 1.590 176.498 174.900 0.012 0.000 1.154 704 G CA 0.323 45.575 45.100 0.253 0.000 0.784 704 G HN 0.207 nan 8.290 nan 0.000 0.538 705 L N 1.273 122.276 121.223 -0.367 0.000 2.046 705 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 705 L C 2.825 179.566 176.870 -0.214 0.000 1.077 705 L CA 2.251 56.637 54.840 -0.756 0.000 0.747 705 L CB -0.801 40.889 42.059 -0.614 0.000 0.896 705 L HN 0.157 nan 8.230 nan 0.000 0.432 706 S N -0.387 115.250 115.700 -0.105 0.000 2.356 706 S HA -0.148 4.321 4.470 -0.000 0.000 0.223 706 S C 1.960 176.598 174.600 0.064 0.000 1.032 706 S CA 1.680 59.853 58.200 -0.044 0.000 1.005 706 S CB -0.464 62.707 63.200 -0.048 0.000 0.867 706 S HN 0.458 nan 8.310 nan 0.000 0.449 707 L N 0.924 122.206 121.223 0.098 0.000 2.046 707 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 707 L C 2.744 179.728 176.870 0.191 0.000 1.077 707 L CA 1.256 56.185 54.840 0.148 0.000 0.747 707 L CB -0.601 41.578 42.059 0.200 0.000 0.896 707 L HN 0.336 nan 8.230 nan 0.000 0.432 708 A N -0.795 122.165 122.820 0.232 0.000 1.930 708 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 708 A C 2.142 179.858 177.584 0.220 0.000 1.175 708 A CA 1.073 53.330 52.037 0.366 0.000 0.627 708 A CB -0.912 18.381 19.000 0.488 0.000 0.815 708 A HN 0.657 nan 8.150 nan 0.000 0.443 709 W N 0.940 122.217 121.300 -0.039 0.000 2.355 709 W HA -0.177 4.483 4.660 -0.000 0.000 0.309 709 W C 2.278 178.723 176.519 -0.123 0.000 1.206 709 W CA 2.145 59.420 57.345 -0.115 0.000 1.284 709 W CB -0.471 28.910 29.460 -0.132 0.000 1.145 709 W HN 0.410 nan 8.180 nan 0.000 0.502 710 A N -0.102 122.852 122.820 0.224 0.000 1.930 710 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 710 A C 2.171 179.758 177.584 0.005 0.000 1.175 710 A CA 1.852 53.959 52.037 0.118 0.000 0.627 710 A CB -1.389 17.670 19.000 0.098 0.000 0.815 710 A HN 0.336 nan 8.150 nan 0.000 0.443 711 C N -1.091 118.221 119.300 0.020 0.000 2.453 711 C HA 0.105 4.565 4.460 -0.000 0.000 0.277 711 C C 3.331 178.227 174.990 -0.155 0.000 1.262 711 C CA 0.707 59.726 59.018 0.001 0.000 1.718 711 C CB -1.295 26.546 27.740 0.168 0.000 2.031 711 C HN 0.704 nan 8.230 nan 0.000 0.480 712 A N 0.385 122.956 122.820 -0.414 0.000 1.883 712 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 712 A C 2.131 179.439 177.584 -0.459 0.000 1.186 712 A CA 2.080 53.653 52.037 -0.773 0.000 0.624 712 A CB -0.755 17.520 19.000 -1.210 0.000 0.822 712 A HN 0.729 nan 8.150 nan 0.000 0.444 713 E N -0.245 119.730 120.200 -0.376 0.000 2.051 713 E HA -0.284 4.066 4.350 -0.000 0.000 0.192 713 E C 1.992 178.492 176.600 -0.166 0.000 0.991 713 E CA 1.514 57.758 56.400 -0.261 0.000 0.799 713 E CB -0.270 29.329 29.700 -0.168 0.000 0.748 713 E HN 0.634 nan 8.360 nan 0.000 0.449 714 N N 0.150 118.773 118.700 -0.128 0.000 2.036 714 N HA -0.188 4.552 4.740 -0.000 0.000 0.195 714 N C 1.995 177.438 175.510 -0.112 0.000 1.037 714 N CA 1.469 54.459 53.050 -0.101 0.000 0.855 714 N CB -0.231 38.205 38.487 -0.086 0.000 1.033 714 N HN 0.157 nan 8.380 nan 0.000 0.423 715 L N -0.373 120.772 121.223 -0.130 0.000 2.042 715 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 715 L C 2.314 179.114 176.870 -0.117 0.000 1.076 715 L CA 1.481 56.252 54.840 -0.114 0.000 0.749 715 L CB -0.436 41.564 42.059 -0.098 0.000 0.893 715 L HN 0.289 nan 8.230 nan 0.000 0.432 716 A N -0.753 121.976 122.820 -0.151 0.000 2.016 716 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 716 A C 1.859 179.378 177.584 -0.109 0.000 1.162 716 A CA 1.676 53.631 52.037 -0.137 0.000 0.662 716 A CB -0.393 18.499 19.000 -0.179 0.000 0.812 716 A HN 0.567 nan 8.150 nan 0.000 0.450 717 N N -2.113 116.525 118.700 -0.104 0.000 2.332 717 N HA 0.038 4.777 4.740 -0.000 0.000 0.190 717 N C 1.641 177.111 175.510 -0.067 0.000 1.117 717 N CA 0.170 53.171 53.050 -0.081 0.000 0.883 717 N CB 0.350 38.791 38.487 -0.076 0.000 1.089 717 N HN 0.193 nan 8.380 nan 0.000 0.480 718 K N 1.657 122.016 120.400 -0.069 0.000 2.214 718 K HA 0.223 4.543 4.320 -0.000 0.000 0.210 718 K C 1.748 178.313 176.600 -0.060 0.000 1.036 718 K CA 0.305 56.558 56.287 -0.058 0.000 0.958 718 K CB 0.063 32.529 32.500 -0.055 0.000 0.973 718 K HN -0.015 nan 8.250 nan 0.000 0.466 719 I N 1.805 122.334 120.570 -0.069 0.000 2.252 719 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 719 I C 0.564 176.637 176.117 -0.074 0.000 1.102 719 I CA 1.041 62.301 61.300 -0.067 0.000 1.385 719 I CB -0.113 37.840 38.000 -0.078 0.000 1.064 719 I HN 0.237 nan 8.210 nan 0.000 0.414 720 K N 0.036 120.388 120.400 -0.079 0.000 3.160 720 K HA -0.182 4.138 4.320 -0.000 0.000 0.280 720 K C 0.292 176.843 176.600 -0.082 0.000 1.154 720 K CA 0.407 56.643 56.287 -0.085 0.000 0.822 720 K CB -2.083 30.360 32.500 -0.095 0.000 1.239 720 K HN 0.439 nan 8.250 nan 0.000 0.489 721 A N 0.930 123.714 122.820 -0.059 0.000 2.366 721 A HA 0.385 4.705 4.320 -0.000 0.000 0.249 721 A C 0.710 178.287 177.584 -0.012 0.000 1.084 721 A CA -0.337 51.684 52.037 -0.026 0.000 0.794 721 A CB 0.315 19.320 19.000 0.009 0.000 1.034 721 A HN 0.304 nan 8.150 nan 0.000 0.491 722 L N 1.665 122.895 121.223 0.012 0.000 2.418 722 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 722 L C 0.025 176.922 176.870 0.046 0.000 1.135 722 L CA 0.290 55.144 54.840 0.023 0.000 0.870 722 L CB 0.290 42.369 42.059 0.032 0.000 1.154 722 L HN 0.709 nan 8.230 nan 0.000 0.462 723 T N 4.715 119.297 114.554 0.046 0.000 2.886 723 T HA 0.536 4.886 4.350 -0.000 0.000 0.292 723 T C -0.361 174.401 174.700 0.103 0.000 1.012 723 T CA -0.532 61.616 62.100 0.080 0.000 0.982 723 T CB 1.793 70.709 68.868 0.080 0.000 1.018 723 T HN 0.295 nan 8.240 nan 0.000 0.451 724 L N 3.199 124.494 121.223 0.121 0.000 2.316 724 L HA 0.537 4.877 4.340 -0.000 0.000 0.280 724 L C -1.111 175.871 176.870 0.186 0.000 1.006 724 L CA -0.762 54.163 54.840 0.142 0.000 0.836 724 L CB 1.031 43.144 42.059 0.091 0.000 1.221 724 L HN 0.609 nan 8.230 nan 0.000 0.418 725 F N 3.442 123.421 119.950 0.047 0.000 2.293 725 F HA 0.558 5.085 4.527 -0.000 0.000 0.370 725 F C 0.578 176.418 175.800 0.067 0.000 1.090 725 F CA -0.629 57.397 58.000 0.043 0.000 1.133 725 F CB 0.969 39.976 39.000 0.012 0.000 1.360 725 F HN 0.480 nan 8.300 nan 0.000 0.489 726 A N 4.059 126.830 122.820 -0.082 0.000 2.366 726 A HA 0.583 4.902 4.320 -0.000 0.000 0.272 726 A C 0.048 177.594 177.584 -0.064 0.000 1.135 726 A CA -0.013 52.015 52.037 -0.015 0.000 0.804 726 A CB 0.548 19.541 19.000 -0.012 0.000 1.064 726 A HN 0.640 nan 8.150 nan 0.000 0.499 727 T N 0.186 114.790 114.554 0.083 0.000 2.900 727 T HA 0.478 4.827 4.350 -0.000 0.000 0.303 727 T C 0.672 175.458 174.700 0.144 0.000 1.142 727 T CA -0.335 61.844 62.100 0.131 0.000 1.007 727 T CB 0.800 69.831 68.868 0.271 0.000 1.156 727 T HN 0.814 nan 8.240 nan 0.000 0.490 728 H N 1.777 120.786 119.070 -0.102 0.000 2.562 728 H HA 0.175 4.731 4.556 -0.000 0.000 0.267 728 H C -0.403 174.902 175.328 -0.038 0.000 0.959 728 H CA -0.075 55.912 56.048 -0.102 0.000 1.204 728 H CB -0.539 29.105 29.762 -0.198 0.000 1.430 728 H HN 0.474 nan 8.280 nan 0.000 0.545 729 Y N 1.321 121.444 120.300 -0.294 0.000 2.537 729 Y HA 0.013 4.563 4.550 -0.000 0.000 0.339 729 Y C 1.197 177.141 175.900 0.072 0.000 1.066 729 Y CA -0.527 57.491 58.100 -0.138 0.000 1.357 729 Y CB -0.016 38.377 38.460 -0.111 0.000 1.175 729 Y HN 0.047 nan 8.280 nan 0.000 0.525 730 F N 2.173 122.210 119.950 0.146 0.000 2.293 730 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 730 F C 1.567 177.448 175.800 0.135 0.000 1.086 730 F CA 1.294 59.361 58.000 0.113 0.000 1.375 730 F CB 0.065 39.112 39.000 0.078 0.000 1.045 730 F HN 0.483 nan 8.300 nan 0.000 0.516 731 E N 0.557 120.809 120.200 0.087 0.000 2.153 731 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 731 E C 2.251 178.899 176.600 0.080 0.000 0.988 731 E CA 1.138 57.562 56.400 0.041 0.000 0.811 731 E CB -0.472 29.307 29.700 0.131 0.000 0.746 731 E HN 0.406 nan 8.360 nan 0.000 0.466 732 L N 0.929 122.206 121.223 0.091 0.000 2.362 732 L HA -0.100 4.240 4.340 -0.000 0.000 0.219 732 L C 2.062 178.830 176.870 -0.170 0.000 1.134 732 L CA 1.588 56.414 54.840 -0.023 0.000 0.807 732 L CB -1.129 40.966 42.059 0.060 0.000 0.927 732 L HN 0.355 nan 8.230 nan 0.000 0.447 733 T N -4.444 109.972 114.554 -0.229 0.000 3.163 733 T HA -0.102 4.248 4.350 -0.000 0.000 0.260 733 T C 1.606 176.167 174.700 -0.233 0.000 1.156 733 T CA 0.379 62.325 62.100 -0.257 0.000 1.072 733 T CB 0.009 68.664 68.868 -0.355 0.000 0.937 733 T HN 0.198 nan 8.240 nan 0.000 0.528 734 Q N 0.308 119.992 119.800 -0.193 0.000 2.424 734 Q HA 0.320 4.660 4.340 -0.000 0.000 0.204 734 Q C 2.194 178.120 176.000 -0.123 0.000 0.933 734 Q CA 0.165 55.911 55.803 -0.095 0.000 0.929 734 Q CB -0.329 28.427 28.738 0.030 0.000 1.037 734 Q HN 0.547 nan 8.270 nan 0.000 0.511 735 L N 0.932 121.977 121.223 -0.297 0.000 2.013 735 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 735 L C -0.562 176.167 176.870 -0.235 0.000 1.073 735 L CA 1.616 56.205 54.840 -0.419 0.000 0.753 735 L CB -1.697 40.009 42.059 -0.589 0.000 0.890 735 L HN 0.151 nan 8.230 nan 0.000 0.432 736 P HA -0.167 nan 4.420 nan 0.000 0.221 736 P C 0.986 178.241 177.300 -0.075 0.000 1.145 736 P CA 1.240 64.274 63.100 -0.109 0.000 0.795 736 P CB 0.002 31.655 31.700 -0.079 0.000 0.775 737 E N -0.981 119.180 120.200 -0.064 0.000 2.481 737 E HA 0.019 4.369 4.350 -0.000 0.000 0.195 737 E C 0.557 177.142 176.600 -0.025 0.000 1.047 737 E CA 0.492 56.872 56.400 -0.033 0.000 0.867 737 E CB 0.060 29.749 29.700 -0.018 0.000 0.858 737 E HN 0.384 nan 8.360 nan 0.000 0.513 741 G N 0.818 109.587 108.800 -0.052 0.000 2.157 741 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 741 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 741 G C -0.303 174.562 174.900 -0.059 0.000 0.979 741 G CA 0.313 45.382 45.100 -0.051 0.000 0.650 741 G HN 0.492 nan 8.290 nan 0.000 0.529 742 V N 0.006 119.877 119.914 -0.070 0.000 2.680 742 V HA 0.959 5.079 4.120 -0.000 0.000 0.309 742 V C 0.335 176.394 176.094 -0.057 0.000 1.052 742 V CA -0.135 62.115 62.300 -0.082 0.000 0.908 742 V CB 1.751 33.489 31.823 -0.142 0.000 1.001 742 V HN 1.501 nan 8.190 nan 0.000 0.431 743 A N 3.091 125.891 122.820 -0.034 0.000 2.587 743 A HA 0.780 5.100 4.320 -0.000 0.000 0.293 743 A C -1.146 176.443 177.584 0.009 0.000 1.087 743 A CA -0.798 51.232 52.037 -0.012 0.000 0.692 743 A CB 1.673 20.678 19.000 0.008 0.000 1.291 743 A HN 0.673 nan 8.150 nan 0.000 0.407 744 N N 0.400 119.113 118.700 0.023 0.000 2.438 744 N HA 0.553 5.293 4.740 -0.000 0.000 0.282 744 N C -0.391 175.179 175.510 0.099 0.000 1.037 744 N CA -0.013 53.070 53.050 0.055 0.000 0.942 744 N CB 1.776 40.290 38.487 0.046 0.000 1.136 744 N HN 0.862 nan 8.380 nan 0.000 0.481 745 V N -0.371 119.616 119.914 0.121 0.000 3.126 745 V HA 0.738 4.858 4.120 -0.000 0.000 0.314 745 V C -0.550 175.661 176.094 0.194 0.000 1.138 745 V CA -0.739 61.637 62.300 0.125 0.000 1.034 745 V CB 2.529 34.370 31.823 0.030 0.000 1.075 745 V HN 0.885 nan 8.190 nan 0.000 0.442 746 H N 0.400 119.469 119.070 -0.001 0.000 2.967 746 H HA 0.708 5.264 4.556 -0.000 0.000 0.318 746 H C -2.155 173.161 175.328 -0.020 0.000 1.375 746 H CA -1.074 54.983 56.048 0.015 0.000 1.132 746 H CB 1.596 31.401 29.762 0.071 0.000 1.848 746 H HN 0.746 nan 8.280 nan 0.000 0.524 747 L N 1.207 122.438 121.223 0.013 0.000 2.319 747 L HA 0.393 4.733 4.340 -0.000 0.000 0.267 747 L C -0.342 176.622 176.870 0.156 0.000 1.011 747 L CA -0.773 54.038 54.840 -0.047 0.000 0.818 747 L CB 1.858 43.887 42.059 -0.050 0.000 1.316 747 L HN 0.775 nan 8.230 nan 0.000 0.432 748 D N 0.548 121.014 120.400 0.109 0.000 2.727 748 D HA 0.835 5.475 4.640 -0.000 0.000 0.264 748 D C -1.066 175.238 176.300 0.007 0.000 1.101 748 D CA -0.708 53.401 54.000 0.182 0.000 1.122 748 D CB 1.776 42.705 40.800 0.216 0.000 1.390 748 D HN 0.619 nan 8.370 nan 0.000 0.606 749 A N -1.004 121.742 122.820 -0.124 0.000 2.527 749 A HA 0.663 4.983 4.320 -0.000 0.000 0.293 749 A C -1.947 175.552 177.584 -0.141 0.000 1.117 749 A CA -0.753 51.093 52.037 -0.318 0.000 0.723 749 A CB 1.482 19.921 19.000 -0.934 0.000 1.313 749 A HN 0.482 nan 8.150 nan 0.000 0.411 750 L N 0.620 121.758 121.223 -0.142 0.000 2.372 750 L HA 0.540 4.880 4.340 -0.000 0.000 0.274 750 L C -0.518 176.353 176.870 0.001 0.000 0.988 750 L CA -0.028 54.803 54.840 -0.016 0.000 0.833 750 L CB 1.426 43.492 42.059 0.012 0.000 1.236 750 L HN 0.770 nan 8.230 nan 0.000 0.410 751 E N 3.816 124.031 120.200 0.026 0.000 2.167 751 E HA 0.486 4.836 4.350 -0.000 0.000 0.284 751 E C -1.274 175.358 176.600 0.053 0.000 1.016 751 E CA -0.175 56.216 56.400 -0.016 0.000 0.817 751 E CB 0.668 30.373 29.700 0.009 0.000 1.080 751 E HN 0.740 nan 8.360 nan 0.000 0.397 752 H N 0.975 120.010 119.070 -0.058 0.000 3.037 752 H HA 0.594 5.150 4.556 -0.000 0.000 0.355 752 H C 0.661 175.965 175.328 -0.040 0.000 1.263 752 H CA -0.525 55.498 56.048 -0.042 0.000 1.129 752 H CB 0.728 30.464 29.762 -0.044 0.000 1.861 752 H HN 0.552 nan 8.280 nan 0.000 0.546 753 G N 0.943 109.750 108.800 0.012 0.000 2.685 753 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.329 753 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.329 753 G C 0.028 174.862 174.900 -0.110 0.000 1.271 753 G CA 0.911 45.991 45.100 -0.033 0.000 1.003 753 G HN 0.860 nan 8.290 nan 0.000 0.549 754 D N 1.924 122.241 120.400 -0.138 0.000 2.670 754 D HA 0.399 5.039 4.640 -0.000 0.000 0.255 754 D C 0.838 177.042 176.300 -0.159 0.000 1.286 754 D CA 1.014 54.944 54.000 -0.117 0.000 0.830 754 D CB 0.446 41.206 40.800 -0.066 0.000 1.065 754 D HN 0.672 nan 8.370 nan 0.000 0.486 755 T N -1.335 113.054 114.554 -0.276 0.000 2.627 755 T HA 0.493 4.843 4.350 -0.000 0.000 0.294 755 T C -0.777 173.701 174.700 -0.370 0.000 1.230 755 T CA -0.742 61.192 62.100 -0.277 0.000 1.084 755 T CB 1.797 70.514 68.868 -0.253 0.000 1.693 755 T HN 0.042 nan 8.240 nan 0.000 0.465 756 I N 0.122 120.472 120.570 -0.367 0.000 2.610 756 I HA 0.680 4.850 4.170 -0.000 0.000 0.289 756 I C -1.611 174.226 176.117 -0.466 0.000 1.163 756 I CA -1.192 59.847 61.300 -0.436 0.000 1.044 756 I CB 1.499 39.191 38.000 -0.513 0.000 1.251 756 I HN 1.000 nan 8.210 nan 0.000 0.424 757 A N 7.261 129.902 122.820 -0.299 0.000 2.260 757 A HA 0.636 4.956 4.320 -0.000 0.000 0.312 757 A C -0.920 176.492 177.584 -0.286 0.000 1.321 757 A CA -0.285 51.644 52.037 -0.181 0.000 0.928 757 A CB -0.029 18.984 19.000 0.022 0.000 1.158 757 A HN 0.611 nan 8.150 nan 0.000 0.542 761 S N 1.882 117.551 115.700 -0.052 0.000 2.438 761 S HA 0.319 4.789 4.470 -0.000 0.000 0.293 761 S C 0.222 174.699 174.600 -0.204 0.000 1.141 761 S CA -0.477 57.656 58.200 -0.112 0.000 1.080 761 S CB 0.677 63.829 63.200 -0.080 0.000 0.978 761 S HN 0.168 nan 8.310 nan 0.000 0.479 762 V N 7.546 127.294 119.914 -0.277 0.000 2.408 762 V HA 0.311 4.431 4.120 -0.000 0.000 0.267 762 V C 0.456 176.386 176.094 -0.275 0.000 1.047 762 V CA -0.225 61.849 62.300 -0.378 0.000 0.937 762 V CB 0.624 32.062 31.823 -0.642 0.000 0.999 762 V HN 0.884 nan 8.190 nan 0.000 0.472 763 Q N 3.129 122.724 119.800 -0.342 0.000 2.495 763 Q HA 0.579 4.919 4.340 -0.000 0.000 0.283 763 Q C -1.295 174.624 176.000 -0.135 0.000 1.097 763 Q CA -1.142 54.521 55.803 -0.233 0.000 0.836 763 Q CB 1.881 30.491 28.738 -0.213 0.000 1.426 763 Q HN 0.502 nan 8.270 nan 0.000 0.459 764 D N 0.043 120.444 120.400 0.001 0.000 2.372 764 D HA 0.448 5.088 4.640 -0.000 0.000 0.243 764 D C 0.574 177.001 176.300 0.210 0.000 1.121 764 D CA 1.326 55.377 54.000 0.086 0.000 0.898 764 D CB 0.965 41.801 40.800 0.061 0.000 1.202 764 D HN 0.844 nan 8.370 nan 0.000 0.428 765 G N -0.183 108.731 108.800 0.190 0.000 2.655 765 G HA2 0.253 4.213 3.960 -0.000 0.000 0.680 765 G HA3 0.253 4.213 3.960 -0.000 0.000 0.680 765 G C -0.541 174.459 174.900 0.167 0.000 1.302 765 G CA -0.381 44.815 45.100 0.160 0.000 0.872 765 G HN 0.693 nan 8.290 nan 0.000 0.540 766 A N -0.139 122.691 122.820 0.018 0.000 2.322 766 A HA 0.966 5.286 4.320 -0.000 0.000 0.269 766 A C 1.069 178.447 177.584 -0.343 0.000 1.094 766 A CA 1.056 53.084 52.037 -0.014 0.000 0.807 766 A CB 0.603 19.672 19.000 0.114 0.000 1.047 766 A HN 2.612 nan 8.150 nan 0.000 0.487 767 A N 0.646 123.334 122.820 -0.221 0.000 2.445 767 A HA 0.459 4.779 4.320 -0.000 0.000 0.242 767 A C 1.138 178.649 177.584 -0.123 0.000 1.075 767 A CA 0.377 52.252 52.037 -0.271 0.000 0.777 767 A CB -0.064 18.983 19.000 0.079 0.000 1.013 767 A HN 1.780 nan 8.150 nan 0.000 0.493 768 S N 0.206 115.820 115.700 -0.143 0.000 2.603 768 S HA 0.296 4.766 4.470 -0.000 0.000 0.232 768 S C 0.267 174.757 174.600 -0.184 0.000 1.016 768 S CA -0.239 57.870 58.200 -0.150 0.000 0.976 768 S CB 0.016 63.156 63.200 -0.100 0.000 0.921 768 S HN 0.655 nan 8.310 nan 0.000 0.516 769 K N 1.520 121.820 120.400 -0.167 0.000 2.435 769 K HA 0.618 4.938 4.320 -0.000 0.000 0.251 769 K C -0.977 175.392 176.600 -0.385 0.000 0.954 769 K CA -0.540 55.557 56.287 -0.316 0.000 0.820 769 K CB 2.229 34.473 32.500 -0.425 0.000 1.292 769 K HN 0.271 nan 8.250 nan 0.000 0.436 770 S N 0.125 115.553 115.700 -0.453 0.000 2.664 770 S HA 0.476 4.946 4.470 -0.000 0.000 0.304 770 S C -0.409 173.868 174.600 -0.537 0.000 1.099 770 S CA -0.546 57.462 58.200 -0.321 0.000 1.003 770 S CB 0.595 63.729 63.200 -0.110 0.000 1.092 770 S HN 0.697 nan 8.310 nan 0.000 0.525 771 Y N -0.293 120.055 120.300 0.080 0.000 2.626 771 Y HA 0.373 4.923 4.550 -0.000 0.000 0.248 771 Y C 2.089 178.046 175.900 0.094 0.000 1.147 771 Y CA -0.432 57.727 58.100 0.099 0.000 1.219 771 Y CB 0.087 38.662 38.460 0.190 0.000 1.279 771 Y HN 0.828 nan 8.280 nan 0.000 0.541 772 G N 0.949 109.843 108.800 0.157 0.000 2.442 772 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 772 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 772 G C 1.495 176.444 174.900 0.082 0.000 1.141 772 G CA 1.069 46.236 45.100 0.111 0.000 0.763 772 G HN 0.324 nan 8.290 nan 0.000 0.554 773 L N 0.396 121.650 121.223 0.052 0.000 2.109 773 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 773 L C 3.385 180.282 176.870 0.045 0.000 1.086 773 L CA 0.949 55.809 54.840 0.033 0.000 0.760 773 L CB -0.696 41.367 42.059 0.006 0.000 0.910 773 L HN 0.304 nan 8.230 nan 0.000 0.437 774 A N 0.263 123.123 122.820 0.067 0.000 1.908 774 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 774 A C 2.378 180.005 177.584 0.073 0.000 1.181 774 A CA 1.815 53.895 52.037 0.071 0.000 0.627 774 A CB -0.796 18.274 19.000 0.117 0.000 0.818 774 A HN 0.191 nan 8.150 nan 0.000 0.445 775 V N -0.224 119.760 119.914 0.116 0.000 2.307 775 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 775 V C 3.069 179.204 176.094 0.068 0.000 1.045 775 V CA 1.899 64.266 62.300 0.112 0.000 1.024 775 V CB -1.252 30.672 31.823 0.167 0.000 0.651 775 V HN 0.622 nan 8.190 nan 0.000 0.449 776 A N 0.069 122.923 122.820 0.057 0.000 1.908 776 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 776 A C 2.431 180.030 177.584 0.025 0.000 1.181 776 A CA 2.238 54.296 52.037 0.036 0.000 0.627 776 A CB -0.821 18.197 19.000 0.029 0.000 0.818 776 A HN 0.586 nan 8.150 nan 0.000 0.445 777 A N -0.313 122.521 122.820 0.023 0.000 1.902 777 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 777 A C 2.165 179.754 177.584 0.007 0.000 1.181 777 A CA 1.541 53.585 52.037 0.012 0.000 0.623 777 A CB -0.597 18.408 19.000 0.008 0.000 0.818 777 A HN 0.485 nan 8.150 nan 0.000 0.443 778 L N -0.957 120.273 121.223 0.010 0.000 2.141 778 L HA -0.155 4.184 4.340 -0.000 0.000 0.209 778 L C 2.888 179.763 176.870 0.007 0.000 1.094 778 L CA 0.927 55.767 54.840 0.002 0.000 0.763 778 L CB -0.426 41.632 42.059 -0.001 0.000 0.908 778 L HN 0.442 nan 8.230 nan 0.000 0.437 779 A N -0.517 122.313 122.820 0.017 0.000 2.209 779 A HA 0.176 4.496 4.320 -0.000 0.000 0.212 779 A C 1.722 179.312 177.584 0.010 0.000 1.158 779 A CA 0.972 53.018 52.037 0.016 0.000 0.742 779 A CB -0.435 18.578 19.000 0.022 0.000 0.790 779 A HN 0.555 nan 8.150 nan 0.000 0.472 780 G N -1.843 106.962 108.800 0.007 0.000 2.144 780 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 780 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 780 G C 0.114 175.017 174.900 0.005 0.000 0.988 780 G CA -0.074 45.029 45.100 0.004 0.000 0.659 780 G HN 0.735 nan 8.290 nan 0.000 0.522 781 V N 2.152 122.070 119.914 0.007 0.000 2.540 781 V HA 0.243 4.363 4.120 -0.000 0.000 0.297 781 V C -0.924 175.172 176.094 0.004 0.000 1.024 781 V CA -0.514 61.790 62.300 0.006 0.000 1.105 781 V CB 0.689 32.517 31.823 0.008 0.000 0.938 781 V HN 0.216 nan 8.190 nan 0.000 0.482 782 P HA 0.000 nan 4.420 nan 0.000 0.266 782 P C 0.737 178.037 177.300 0.000 0.000 1.186 782 P CA 0.058 63.158 63.100 0.001 0.000 0.767 782 P CB 0.559 32.259 31.700 0.000 0.000 0.820 783 K N 1.920 122.320 120.400 -0.001 0.000 2.097 783 K HA -0.227 4.093 4.320 -0.000 0.000 0.206 783 K C 1.715 178.314 176.600 -0.002 0.000 1.049 783 K CA 1.492 57.778 56.287 -0.002 0.000 0.933 783 K CB -0.045 32.454 32.500 -0.003 0.000 0.717 783 K HN 0.354 nan 8.250 nan 0.000 0.442 784 E N 0.033 120.232 120.200 -0.002 0.000 2.208 784 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 784 E C 1.555 178.153 176.600 -0.002 0.000 0.988 784 E CA 0.823 57.222 56.400 -0.002 0.000 0.828 784 E CB 0.065 29.763 29.700 -0.002 0.000 0.763 784 E HN 0.089 nan 8.360 nan 0.000 0.478 785 V N 0.584 120.497 119.914 -0.001 0.000 2.307 785 V HA -0.217 3.902 4.120 -0.000 0.000 0.245 785 V C 2.321 178.415 176.094 -0.001 0.000 1.045 785 V CA 1.752 64.051 62.300 -0.001 0.000 1.024 785 V CB -0.408 31.416 31.823 0.001 0.000 0.651 785 V HN 0.310 nan 8.190 nan 0.000 0.449 786 I N -0.110 120.460 120.570 -0.000 0.000 2.286 786 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 786 I C 2.521 178.636 176.117 -0.004 0.000 1.115 786 I CA 1.724 63.024 61.300 -0.000 0.000 1.392 786 I CB -0.329 37.671 38.000 0.001 0.000 1.065 786 I HN 0.248 nan 8.210 nan 0.000 0.418 787 K N 0.772 121.169 120.400 -0.004 0.000 2.057 787 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 787 K C 2.293 178.889 176.600 -0.006 0.000 1.050 787 K CA 1.291 57.575 56.287 -0.006 0.000 0.935 787 K CB 0.028 32.524 32.500 -0.005 0.000 0.715 787 K HN -0.061 nan 8.250 nan 0.000 0.439 788 R N 0.257 120.754 120.500 -0.005 0.000 2.075 788 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 788 R C 2.040 178.336 176.300 -0.005 0.000 1.126 788 R CA 1.577 57.674 56.100 -0.005 0.000 0.963 788 R CB -0.701 29.596 30.300 -0.004 0.000 0.858 788 R HN 0.335 nan 8.270 nan 0.000 0.435 789 A N 0.288 123.106 122.820 -0.004 0.000 1.908 789 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 789 A C 2.135 179.715 177.584 -0.007 0.000 1.181 789 A CA 1.910 53.945 52.037 -0.004 0.000 0.627 789 A CB -0.505 18.494 19.000 -0.001 0.000 0.818 789 A HN 0.219 nan 8.150 nan 0.000 0.445 790 R N -0.099 120.395 120.500 -0.010 0.000 2.081 790 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 790 R C 2.345 178.636 176.300 -0.015 0.000 1.131 790 R CA 2.187 58.278 56.100 -0.015 0.000 0.960 790 R CB -0.708 29.582 30.300 -0.017 0.000 0.856 790 R HN 0.729 nan 8.270 nan 0.000 0.436 791 Q N -0.170 119.623 119.800 -0.012 0.000 2.050 791 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 791 Q C 1.734 177.729 176.000 -0.009 0.000 0.980 791 Q CA 1.966 57.763 55.803 -0.010 0.000 0.840 791 Q CB -0.110 28.623 28.738 -0.008 0.000 0.898 791 Q HN 0.101 nan 8.270 nan 0.000 0.424 792 K N 0.261 120.656 120.400 -0.007 0.000 2.097 792 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 792 K C 1.903 178.500 176.600 -0.004 0.000 1.049 792 K CA 1.043 57.327 56.287 -0.005 0.000 0.933 792 K CB -0.493 32.005 32.500 -0.004 0.000 0.717 792 K HN 0.275 nan 8.250 nan 0.000 0.442 793 L N 0.999 122.217 121.223 -0.007 0.000 2.046 793 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 793 L C 2.324 179.187 176.870 -0.012 0.000 1.077 793 L CA 1.791 56.626 54.840 -0.009 0.000 0.747 793 L CB -0.571 41.478 42.059 -0.018 0.000 0.896 793 L HN 0.200 nan 8.230 nan 0.000 0.432 794 R N -0.401 120.088 120.500 -0.017 0.000 2.073 794 R HA -0.234 4.106 4.340 -0.000 0.000 0.234 794 R C 2.325 178.621 176.300 -0.007 0.000 1.134 794 R CA 1.787 57.876 56.100 -0.019 0.000 0.952 794 R CB -0.345 29.943 30.300 -0.020 0.000 0.850 794 R HN 0.651 nan 8.270 nan 0.000 0.433 795 E N 0.504 120.702 120.200 -0.003 0.000 2.058 795 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 795 E C 2.082 178.689 176.600 0.011 0.000 0.997 795 E CA 1.522 57.923 56.400 0.003 0.000 0.801 795 E CB -0.191 29.510 29.700 0.001 0.000 0.746 795 E HN 0.414 nan 8.360 nan 0.000 0.450 796 L N 0.526 121.756 121.223 0.013 0.000 2.017 796 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 796 L C 2.588 179.484 176.870 0.042 0.000 1.073 796 L CA 1.741 56.597 54.840 0.026 0.000 0.745 796 L CB -0.392 41.683 42.059 0.025 0.000 0.894 796 L HN 0.219 nan 8.230 nan 0.000 0.432 797 E N -0.469 119.748 120.200 0.029 0.000 2.106 797 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 797 E C 2.202 178.823 176.600 0.035 0.000 0.984 797 E CA 1.304 57.723 56.400 0.032 0.000 0.806 797 E CB -0.003 29.690 29.700 -0.012 0.000 0.750 797 E HN 0.388 nan 8.360 nan 0.000 0.458 798 S N 0.889 116.601 115.700 0.020 0.000 2.481 798 S HA -0.001 4.469 4.470 -0.000 0.000 0.231 798 S C 1.692 176.311 174.600 0.031 0.000 0.996 798 S CA 0.467 58.679 58.200 0.020 0.000 0.942 798 S CB -0.002 63.203 63.200 0.009 0.000 0.768 798 S HN 0.214 nan 8.310 nan 0.000 0.520 799 I N 1.662 122.255 120.570 0.038 0.000 3.605 799 I HA 0.052 4.222 4.170 -0.000 0.000 0.301 799 I C 1.153 177.302 176.117 0.053 0.000 1.267 799 I CA -0.078 61.248 61.300 0.043 0.000 1.236 799 I CB -0.162 37.867 38.000 0.048 0.000 1.010 799 I HN 0.179 nan 8.210 nan 0.000 0.491 800 S N 0.000 115.737 115.700 0.062 0.000 2.498 800 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 800 S CA 0.000 58.244 58.200 0.073 0.000 1.107 800 S CB 0.000 63.272 63.200 0.119 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517