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 2gv9_1_A DATA FIRST_RESID 60 DATA SEQUENCE GPTQRHTYYS ECDEFRFIAP RVLDEDAPPE KRAGVHDGHL KRAPKVYCGG DATA SEQUENCE DERDVLRVGS GGFWPRRSRL WGGVDHAPAG FNPTVTVFHV YDILENVEHA DATA SEQUENCE YGMRAAQFHA RFMDAITPTG TVITLLGLTP EGHRVAVHVY GTRQYFYMNK DATA SEQUENCE EEVDRHLQCR APRDLCERMA AALRESPGAS FRGISADHFE AEVVERTDVY DATA SEQUENCE YYETRPALFY RVYVRSGRVL SYLCDNFCPA IKKYEGGVDA TTRFILDNPG DATA SEQUENCE FVTFGWYRLK PGRNNTLAQP RAPMAFGTSS DVEFNCTADN LAIEGGMSDL DATA SEQUENCE PAYKLMCFDI ECKAGGEDEL AFPVAGHPED LVIQISCLLY DLSTTALEHV DATA SEQUENCE LLFSLGSCDL PESHLNELAA RGLPTPVVLE FDSEFEMLLA FMTLVKQYGP DATA SEQUENCE EFVTGYNIIN FDWPFLLAKL TDIYKVPLDG YGRMNGRGVF RVWDXXXXXX DATA SEQUENCE XXXXKIKVNG MVNIDMYGII TDKIKLSSYK LNAVAEAVLK DKKKDLSYRD DATA SEQUENCE IPAYYATGPA QRGVIGEYCI QDSLLVGQLF FKFLPHLELS AVARLAGINI DATA SEQUENCE TRTIYDGQQI RVFTCLLRLA DQKGFILPDT QXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XVLDPTSGFH DATA SEQUENCE VNPVVVFDFA SLYPSIIQAH NLCFSTLSLR ADAVAHLEAG KDYLEIEVGG DATA SEQUENCE RRLFFVKAHV RESLLSILLR DWLAMRKQIR SRIPQSSPEE AVLLDKQQAA DATA SEQUENCE IKVVCNSVYG FTGVQHGLLP CLHVAATVTT IGREMLLATR EYVHARWAAF DATA SEQUENCE EQLLADFPEA ADMRAPGPYS MRIIYGDTDS IFVLCRGLTA AGLTAMGDKM DATA SEQUENCE ASHISRALFL PPIKLECEKT FTKLLLIAKK KYIGVIYGGK MLIKGVDLVR DATA SEQUENCE KNNCAFINRT SRALVDLLFY DDTVSGAAAA LAERPAEEWL ARPLPEGLQA DATA SEQUENCE FGAVLVDAHR RITDPERDIQ DFVLTAXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXSIK DRIPYVIVAQ XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXKLLV SELAEDPAYA IAHGVALNTD DATA SEQUENCE YYFSHLLGAA CVTFKALFGN NAKITESLLK RFIPEVWH 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 60 G HA2 0.000 nan 3.960 nan 0.000 0.244 60 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 60 G C 0.000 174.850 174.900 -0.083 0.000 0.946 60 G CA 0.000 45.042 45.100 -0.096 0.000 0.502 61 P HA 0.112 nan 4.420 nan 0.000 0.262 61 P C 1.504 178.797 177.300 -0.011 0.000 1.182 61 P CA 0.149 63.235 63.100 -0.024 0.000 0.761 61 P CB 0.775 32.501 31.700 0.043 0.000 0.795 62 T N -0.027 114.515 114.554 -0.020 0.000 2.849 62 T HA -0.159 4.190 4.350 -0.002 0.000 0.270 62 T C 0.531 175.220 174.700 -0.019 0.000 1.066 62 T CA 1.108 63.182 62.100 -0.045 0.000 1.130 62 T CB -0.281 68.524 68.868 -0.105 0.000 0.864 62 T HN 0.473 nan 8.240 nan 0.000 0.481 63 Q N 0.565 120.378 119.800 0.021 0.000 2.321 63 Q HA 0.470 4.809 4.340 -0.002 0.000 0.270 63 Q C -0.706 175.339 176.000 0.074 0.000 1.032 63 Q CA -0.805 55.016 55.803 0.029 0.000 0.784 63 Q CB 2.571 31.321 28.738 0.021 0.000 1.264 63 Q HN 0.258 nan 8.270 nan 0.000 0.448 64 R N 1.576 122.102 120.500 0.043 0.000 2.643 64 R HA 0.086 4.425 4.340 -0.002 0.000 0.270 64 R C -0.587 175.756 176.300 0.071 0.000 1.061 64 R CA 0.003 56.136 56.100 0.054 0.000 1.107 64 R CB 0.585 30.882 30.300 -0.004 0.000 0.999 64 R HN 0.622 nan 8.270 nan 0.000 0.460 65 H N 2.174 121.138 119.070 -0.176 0.000 2.668 65 H HA 0.051 4.606 4.556 -0.002 0.000 0.303 65 H C 0.728 175.816 175.328 -0.399 0.000 1.074 65 H CA 0.048 55.906 56.048 -0.316 0.000 1.406 65 H CB 1.547 30.963 29.762 -0.576 0.000 1.442 65 H HN 0.738 nan 8.280 nan 0.000 0.482 66 T N 0.132 114.574 114.554 -0.187 0.000 3.022 66 T HA -0.039 4.310 4.350 -0.002 0.000 0.250 66 T C 0.771 175.434 174.700 -0.061 0.000 1.060 66 T CA -0.419 61.623 62.100 -0.097 0.000 1.013 66 T CB -0.227 68.639 68.868 -0.004 0.000 0.982 66 T HN 0.483 nan 8.240 nan 0.000 0.508 67 Y N 0.873 121.059 120.300 -0.191 0.000 2.394 67 Y HA 0.503 5.052 4.550 -0.002 0.000 0.351 67 Y C -0.424 175.488 175.900 0.020 0.000 1.272 67 Y CA -1.862 55.995 58.100 -0.406 0.000 1.508 67 Y CB -0.027 37.836 38.460 -0.994 0.000 1.369 67 Y HN -0.037 nan 8.280 nan 0.000 0.639 68 Y N 0.724 121.056 120.300 0.053 0.000 2.350 68 Y HA 0.259 4.808 4.550 -0.002 0.000 0.340 68 Y C 0.796 176.724 175.900 0.047 0.000 1.006 68 Y CA -1.490 56.650 58.100 0.065 0.000 1.166 68 Y CB 1.449 40.054 38.460 0.242 0.000 1.168 68 Y HN 0.818 nan 8.280 nan 0.000 0.502 69 S N 0.894 116.581 115.700 -0.021 0.000 2.512 69 S HA 0.157 4.626 4.470 -0.002 0.000 0.216 69 S C -0.098 174.569 174.600 0.112 0.000 1.006 69 S CA -0.387 57.780 58.200 -0.054 0.000 0.915 69 S CB 0.395 63.319 63.200 -0.460 0.000 0.824 69 S HN 0.661 nan 8.310 nan 0.000 0.497 70 E N -0.067 120.170 120.200 0.062 0.000 2.343 70 E HA 0.593 4.941 4.350 -0.002 0.000 0.278 70 E C -1.765 174.867 176.600 0.052 0.000 0.910 70 E CA -0.755 55.698 56.400 0.089 0.000 0.757 70 E CB 1.428 31.150 29.700 0.037 0.000 1.218 70 E HN 0.040 nan 8.360 nan 0.000 0.435 71 C N 1.476 120.868 119.300 0.154 0.000 2.535 71 C HA 0.359 4.818 4.460 -0.002 0.000 0.319 71 C C 0.396 175.515 174.990 0.215 0.000 1.171 71 C CA -0.376 58.742 59.018 0.166 0.000 1.394 71 C CB 1.005 28.939 27.740 0.325 0.000 1.990 71 C HN 0.792 nan 8.230 nan 0.000 0.466 72 D N 1.264 121.765 120.400 0.170 0.000 2.388 72 D HA 0.075 4.713 4.640 -0.002 0.000 0.208 72 D C 0.432 176.840 176.300 0.180 0.000 1.035 72 D CA 0.643 54.740 54.000 0.162 0.000 0.875 72 D CB 0.703 41.560 40.800 0.095 0.000 0.984 72 D HN 0.859 nan 8.370 nan 0.000 0.508 73 E N 0.085 120.401 120.200 0.193 0.000 2.446 73 E HA 0.577 4.926 4.350 -0.002 0.000 0.276 73 E C -0.864 175.794 176.600 0.096 0.000 0.969 73 E CA -1.051 55.388 56.400 0.065 0.000 0.800 73 E CB 2.363 32.130 29.700 0.111 0.000 1.341 73 E HN -0.045 nan 8.360 nan 0.000 0.460 74 F N -2.397 117.289 119.950 -0.439 0.000 2.878 74 F HA 0.439 4.965 4.527 -0.002 0.000 0.322 74 F C -1.649 173.782 175.800 -0.616 0.000 1.154 74 F CA -1.326 56.339 58.000 -0.559 0.000 0.896 74 F CB 1.131 39.716 39.000 -0.692 0.000 1.313 74 F HN 0.392 nan 8.300 nan 0.000 0.451 75 R N 1.985 122.409 120.500 -0.126 0.000 2.248 75 R HA 0.360 4.699 4.340 -0.002 0.000 0.328 75 R C -1.703 174.779 176.300 0.303 0.000 1.067 75 R CA -0.459 55.706 56.100 0.108 0.000 0.924 75 R CB 0.391 30.879 30.300 0.313 0.000 1.013 75 R HN 0.714 nan 8.270 nan 0.000 0.454 76 F N 7.118 127.117 119.950 0.082 0.000 2.350 76 F HA 0.384 4.910 4.527 -0.002 0.000 0.365 76 F C -0.515 175.431 175.800 0.244 0.000 1.122 76 F CA -0.504 57.609 58.000 0.188 0.000 1.139 76 F CB 0.454 39.471 39.000 0.029 0.000 1.220 76 F HN 0.331 nan 8.300 nan 0.000 0.499 77 I N 6.112 126.599 120.570 -0.139 0.000 2.466 77 I HA 0.741 4.910 4.170 -0.002 0.000 0.289 77 I C -0.654 175.358 176.117 -0.175 0.000 1.026 77 I CA -0.819 60.480 61.300 -0.003 0.000 1.078 77 I CB 1.523 39.608 38.000 0.142 0.000 1.249 77 I HN 0.676 nan 8.210 nan 0.000 0.429 78 A N 7.243 130.056 122.820 -0.011 0.000 2.589 78 A HA 0.815 5.134 4.320 -0.002 0.000 0.296 78 A C -3.035 174.581 177.584 0.054 0.000 1.062 78 A CA -1.353 50.703 52.037 0.032 0.000 0.686 78 A CB 1.929 20.988 19.000 0.098 0.000 1.282 78 A HN 0.374 nan 8.150 nan 0.000 0.404 79 P HA 0.277 nan 4.420 nan 0.000 0.271 79 P C 0.449 177.734 177.300 -0.025 0.000 1.216 79 P CA -0.180 62.926 63.100 0.011 0.000 0.771 79 P CB 0.619 32.368 31.700 0.081 0.000 0.864 80 R N 2.007 122.415 120.500 -0.152 0.000 2.148 80 R HA -0.073 4.266 4.340 -0.002 0.000 0.227 80 R C 1.713 178.017 176.300 0.006 0.000 1.103 80 R CA 1.122 57.109 56.100 -0.188 0.000 0.983 80 R CB -0.914 29.251 30.300 -0.225 0.000 0.874 80 R HN 0.346 nan 8.270 nan 0.000 0.451 81 V N 0.712 120.659 119.914 0.055 0.000 2.313 81 V HA -0.289 3.830 4.120 -0.002 0.000 0.253 81 V C 2.152 178.299 176.094 0.088 0.000 1.070 81 V CA 1.637 63.992 62.300 0.092 0.000 1.057 81 V CB -0.747 31.169 31.823 0.155 0.000 0.653 81 V HN 0.161 nan 8.190 nan 0.000 0.450 82 L N 0.168 121.464 121.223 0.121 0.000 2.189 82 L HA -0.099 4.240 4.340 -0.002 0.000 0.214 82 L C 0.996 177.924 176.870 0.096 0.000 1.097 82 L CA 1.239 56.141 54.840 0.104 0.000 0.764 82 L CB -1.166 40.989 42.059 0.160 0.000 0.900 82 L HN 0.441 nan 8.230 nan 0.000 0.436 83 D N -0.535 119.935 120.400 0.118 0.000 2.425 83 D HA -0.003 4.636 4.640 -0.002 0.000 0.247 83 D C 1.050 177.392 176.300 0.070 0.000 1.147 83 D CA 0.158 54.226 54.000 0.114 0.000 0.879 83 D CB 1.665 42.555 40.800 0.150 0.000 1.179 83 D HN 0.060 nan 8.370 nan 0.000 0.456 84 E N 0.639 120.871 120.200 0.054 0.000 2.434 84 E HA -0.020 4.329 4.350 -0.002 0.000 0.207 84 E C -0.539 176.082 176.600 0.035 0.000 0.929 84 E CA -0.027 56.394 56.400 0.035 0.000 1.001 84 E CB 0.295 30.006 29.700 0.019 0.000 1.016 84 E HN 0.233 nan 8.360 nan 0.000 0.502 85 D N 1.327 121.751 120.400 0.041 0.000 2.482 85 D HA 0.265 4.904 4.640 -0.002 0.000 0.244 85 D C -0.886 175.444 176.300 0.050 0.000 1.242 85 D CA 0.359 54.382 54.000 0.039 0.000 1.097 85 D CB 0.113 40.936 40.800 0.039 0.000 1.109 85 D HN 0.116 nan 8.370 nan 0.000 0.510 86 A N 3.198 126.044 122.820 0.043 0.000 2.684 86 A HA 0.478 4.797 4.320 -0.002 0.000 0.289 86 A C -2.533 175.075 177.584 0.040 0.000 1.139 86 A CA -1.233 50.833 52.037 0.049 0.000 0.793 86 A CB 0.851 19.882 19.000 0.052 0.000 1.334 86 A HN 0.109 nan 8.150 nan 0.000 0.408 87 P HA 0.198 nan 4.420 nan 0.000 0.270 87 P C -1.762 175.558 177.300 0.033 0.000 1.227 87 P CA -0.927 62.193 63.100 0.034 0.000 0.788 87 P CB 0.379 32.099 31.700 0.034 0.000 0.926 88 P HA -0.137 nan 4.420 nan 0.000 0.220 88 P C 0.635 177.953 177.300 0.030 0.000 1.148 88 P CA 1.513 64.629 63.100 0.027 0.000 0.803 88 P CB 0.175 31.889 31.700 0.023 0.000 0.782 89 E N -0.632 119.586 120.200 0.031 0.000 2.307 89 E HA 0.025 4.374 4.350 -0.002 0.000 0.195 89 E C 1.319 177.941 176.600 0.036 0.000 0.975 89 E CA 0.494 56.913 56.400 0.031 0.000 0.878 89 E CB -0.245 29.472 29.700 0.029 0.000 0.845 89 E HN 0.134 nan 8.360 nan 0.000 0.488 90 K N 0.698 121.123 120.400 0.043 0.000 2.504 90 K HA 0.169 4.488 4.320 -0.002 0.000 0.199 90 K C 0.688 177.317 176.600 0.048 0.000 1.028 90 K CA 0.141 56.460 56.287 0.054 0.000 1.164 90 K CB 0.380 32.922 32.500 0.070 0.000 0.877 90 K HN -0.008 nan 8.250 nan 0.000 0.508 91 R N 0.072 120.595 120.500 0.037 0.000 2.397 91 R HA 0.198 4.537 4.340 -0.002 0.000 0.241 91 R C 0.393 176.707 176.300 0.024 0.000 0.914 91 R CA -0.092 56.028 56.100 0.033 0.000 1.071 91 R CB 0.791 31.116 30.300 0.041 0.000 1.116 91 R HN 0.065 nan 8.270 nan 0.000 0.524 92 A N -0.131 122.701 122.820 0.019 0.000 2.256 92 A HA 0.726 5.045 4.320 -0.002 0.000 0.318 92 A C 0.789 178.371 177.584 -0.002 0.000 1.103 92 A CA 0.093 52.140 52.037 0.016 0.000 0.860 92 A CB 0.065 19.079 19.000 0.023 0.000 1.182 92 A HN 0.314 nan 8.150 nan 0.000 0.501 93 G N -1.556 107.245 108.800 0.001 0.000 2.582 93 G HA2 0.044 4.003 3.960 -0.002 0.000 0.288 93 G HA3 0.044 4.003 3.960 -0.002 0.000 0.288 93 G C -0.036 174.842 174.900 -0.037 0.000 1.247 93 G CA 0.259 45.356 45.100 -0.006 0.000 0.972 93 G HN 1.935 nan 8.290 nan 0.000 0.557 94 V N 0.194 120.085 119.914 -0.038 0.000 2.969 94 V HA 0.542 4.661 4.120 -0.002 0.000 0.304 94 V C -0.376 175.721 176.094 0.006 0.000 1.192 94 V CA -0.721 61.554 62.300 -0.042 0.000 0.962 94 V CB 2.043 33.874 31.823 0.013 0.000 1.045 94 V HN 0.917 nan 8.190 nan 0.000 0.428 95 H N 2.736 121.895 119.070 0.149 0.000 2.610 95 H HA 0.454 5.009 4.556 -0.002 0.000 0.336 95 H C -0.847 174.595 175.328 0.188 0.000 1.087 95 H CA -0.106 56.056 56.048 0.191 0.000 1.405 95 H CB 1.009 30.962 29.762 0.317 0.000 1.460 95 H HN 0.504 nan 8.280 nan 0.000 0.538 96 D N 2.365 122.941 120.400 0.294 0.000 2.336 96 D HA 0.309 4.948 4.640 -0.002 0.000 0.248 96 D C -0.573 175.841 176.300 0.190 0.000 1.326 96 D CA -0.314 53.815 54.000 0.215 0.000 0.973 96 D CB 0.483 41.362 40.800 0.132 0.000 1.255 96 D HN 0.771 nan 8.370 nan 0.000 0.558 97 G N 1.078 110.011 108.800 0.221 0.000 2.727 97 G HA2 0.403 4.362 3.960 -0.002 0.000 0.289 97 G HA3 0.403 4.362 3.960 -0.002 0.000 0.289 97 G C -1.525 173.471 174.900 0.160 0.000 1.418 97 G CA -0.768 44.427 45.100 0.158 0.000 0.818 97 G HN 0.358 nan 8.290 nan 0.000 0.486 98 H N -0.966 118.111 119.070 0.012 0.000 2.473 98 H HA 0.700 5.255 4.556 -0.002 0.000 0.327 98 H C -0.870 174.382 175.328 -0.126 0.000 1.105 98 H CA -0.297 55.723 56.048 -0.046 0.000 1.280 98 H CB 1.626 31.362 29.762 -0.043 0.000 1.450 98 H HN 0.408 nan 8.280 nan 0.000 0.492 99 L N 3.976 124.892 121.223 -0.512 0.000 2.385 99 L HA 0.424 4.763 4.340 -0.002 0.000 0.273 99 L C -1.203 175.366 176.870 -0.502 0.000 0.990 99 L CA -0.587 53.970 54.840 -0.471 0.000 0.821 99 L CB 1.529 43.260 42.059 -0.548 0.000 1.279 99 L HN 0.616 nan 8.230 nan 0.000 0.412 100 K N 5.981 126.252 120.400 -0.216 0.000 2.299 100 K HA 0.636 4.955 4.320 -0.002 0.000 0.268 100 K C -0.821 175.755 176.600 -0.040 0.000 1.075 100 K CA -0.468 55.766 56.287 -0.088 0.000 0.936 100 K CB 0.753 33.250 32.500 -0.006 0.000 1.228 100 K HN 0.627 nan 8.250 nan 0.000 0.454 101 R N 0.429 120.948 120.500 0.032 0.000 2.825 101 R HA 0.403 4.742 4.340 -0.002 0.000 0.274 101 R C -1.696 174.793 176.300 0.314 0.000 1.026 101 R CA -0.875 55.308 56.100 0.139 0.000 0.867 101 R CB 0.517 30.890 30.300 0.121 0.000 1.268 101 R HN 0.456 nan 8.270 nan 0.000 0.491 102 A N 2.575 125.556 122.820 0.269 0.000 2.462 102 A HA 0.424 4.743 4.320 -0.002 0.000 0.243 102 A C -2.163 175.653 177.584 0.387 0.000 1.076 102 A CA -1.179 51.040 52.037 0.304 0.000 0.773 102 A CB -0.250 18.870 19.000 0.200 0.000 1.010 102 A HN 0.520 nan 8.150 nan 0.000 0.493 103 P HA 0.102 nan 4.420 nan 0.000 0.264 103 P C -0.627 176.808 177.300 0.225 0.000 1.193 103 P CA 0.445 63.655 63.100 0.183 0.000 0.763 103 P CB 0.402 32.114 31.700 0.020 0.000 0.810 104 K N 2.200 122.759 120.400 0.265 0.000 2.208 104 K HA 0.626 4.945 4.320 -0.002 0.000 0.247 104 K C -0.611 176.109 176.600 0.201 0.000 0.953 104 K CA -0.899 55.486 56.287 0.164 0.000 0.837 104 K CB 1.685 34.233 32.500 0.081 0.000 1.131 104 K HN 0.109 nan 8.250 nan 0.000 0.431 105 V N 1.555 121.482 119.914 0.022 0.000 2.769 105 V HA 0.478 4.597 4.120 -0.002 0.000 0.312 105 V C -1.114 174.842 176.094 -0.231 0.000 1.061 105 V CA -1.067 61.140 62.300 -0.155 0.000 0.931 105 V CB 1.166 33.100 31.823 0.186 0.000 1.010 105 V HN 0.536 nan 8.190 nan 0.000 0.433 106 Y N 1.338 121.435 120.300 -0.337 0.000 2.409 106 Y HA 0.748 5.297 4.550 -0.002 0.000 0.339 106 Y C 0.061 175.687 175.900 -0.457 0.000 1.033 106 Y CA -0.997 56.948 58.100 -0.257 0.000 1.094 106 Y CB 1.950 40.298 38.460 -0.187 0.000 1.210 106 Y HN 0.770 nan 8.280 nan 0.000 0.456 107 C N 2.965 121.969 119.300 -0.493 0.000 2.705 107 C HA 0.676 5.135 4.460 -0.002 0.000 0.369 107 C C 0.467 175.159 174.990 -0.496 0.000 1.069 107 C CA 0.337 58.940 59.018 -0.693 0.000 1.260 107 C CB -0.428 26.379 27.740 -1.555 0.000 1.764 107 C HN 1.306 nan 8.230 nan 0.000 0.469 108 G N 4.290 112.928 108.800 -0.269 0.000 2.601 108 G HA2 0.002 3.961 3.960 -0.002 0.000 0.261 108 G HA3 0.002 3.961 3.960 -0.002 0.000 0.261 108 G C 1.044 175.890 174.900 -0.089 0.000 1.289 108 G CA 0.135 45.142 45.100 -0.155 0.000 0.920 108 G HN 1.973 nan 8.290 nan 0.000 0.571 109 G N -0.363 108.408 108.800 -0.048 0.000 2.509 109 G HA2 0.230 4.189 3.960 -0.002 0.000 0.218 109 G HA3 0.230 4.189 3.960 -0.002 0.000 0.218 109 G C 0.478 175.386 174.900 0.013 0.000 1.124 109 G CA 1.383 46.482 45.100 -0.001 0.000 0.776 109 G HN 0.777 nan 8.290 nan 0.000 0.547 110 D N 0.440 120.828 120.400 -0.020 0.000 2.372 110 D HA 0.415 5.054 4.640 -0.002 0.000 0.243 110 D C 0.734 177.057 176.300 0.038 0.000 1.121 110 D CA 0.148 54.174 54.000 0.043 0.000 0.898 110 D CB 0.904 41.787 40.800 0.139 0.000 1.202 110 D HN 0.628 nan 8.370 nan 0.000 0.428 111 E N 0.285 120.527 120.200 0.071 0.000 2.440 111 E HA 0.770 5.119 4.350 -0.002 0.000 0.263 111 E C -0.718 175.900 176.600 0.030 0.000 0.938 111 E CA -1.273 55.109 56.400 -0.030 0.000 0.831 111 E CB 2.368 31.868 29.700 -0.334 0.000 1.456 111 E HN 0.367 nan 8.360 nan 0.000 0.427 112 R N 0.442 120.903 120.500 -0.065 0.000 3.466 112 R HA 0.114 4.453 4.340 -0.002 0.000 0.262 112 R C -1.957 174.306 176.300 -0.061 0.000 0.997 112 R CA -0.632 55.397 56.100 -0.118 0.000 0.978 112 R CB 0.834 30.921 30.300 -0.355 0.000 1.256 112 R HN 0.579 nan 8.270 nan 0.000 0.536 113 D N 2.470 122.844 120.400 -0.044 0.000 2.389 113 D HA 0.105 4.744 4.640 -0.002 0.000 0.247 113 D C 1.225 177.573 176.300 0.079 0.000 1.128 113 D CA -0.180 53.849 54.000 0.049 0.000 0.884 113 D CB 1.853 42.692 40.800 0.065 0.000 1.194 113 D HN 0.342 nan 8.370 nan 0.000 0.441 114 V N 2.391 122.429 119.914 0.206 0.000 2.626 114 V HA -0.159 3.960 4.120 -0.002 0.000 0.252 114 V C 1.893 178.194 176.094 0.344 0.000 1.067 114 V CA 1.232 63.750 62.300 0.363 0.000 1.081 114 V CB -0.322 31.736 31.823 0.391 0.000 0.686 114 V HN 0.522 nan 8.190 nan 0.000 0.468 115 L N -0.312 121.085 121.223 0.289 0.000 2.628 115 L HA 0.223 4.562 4.340 -0.002 0.000 0.229 115 L C 1.197 178.250 176.870 0.304 0.000 1.137 115 L CA -0.057 55.023 54.840 0.399 0.000 0.909 115 L CB -0.122 42.223 42.059 0.477 0.000 1.137 115 L HN 0.207 nan 8.230 nan 0.000 0.470 116 R N 1.463 122.014 120.500 0.086 0.000 2.389 116 R HA 0.354 4.693 4.340 -0.002 0.000 0.295 116 R C -0.870 175.283 176.300 -0.246 0.000 1.075 116 R CA -0.080 56.002 56.100 -0.031 0.000 1.005 116 R CB 1.392 31.635 30.300 -0.095 0.000 0.987 116 R HN -0.056 nan 8.270 nan 0.000 0.452 117 V N 4.922 124.666 119.914 -0.283 0.000 2.628 117 V HA 0.906 5.025 4.120 -0.002 0.000 0.306 117 V C 0.028 175.897 176.094 -0.376 0.000 1.045 117 V CA 0.724 62.726 62.300 -0.496 0.000 0.905 117 V CB 1.194 32.531 31.823 -0.810 0.000 0.997 117 V HN 1.116 nan 8.190 nan 0.000 0.436 118 G N 3.794 112.376 108.800 -0.364 0.000 2.292 118 G HA2 0.185 4.144 3.960 -0.002 0.000 0.194 118 G HA3 0.185 4.144 3.960 -0.002 0.000 0.194 118 G C -0.085 174.679 174.900 -0.226 0.000 1.329 118 G CA 0.115 45.083 45.100 -0.220 0.000 1.100 118 G HN 2.145 nan 8.290 nan 0.000 0.470 119 S N 0.144 115.742 115.700 -0.169 0.000 2.546 119 S HA 0.305 4.774 4.470 -0.002 0.000 0.298 119 S C 1.702 176.152 174.600 -0.250 0.000 1.277 119 S CA 1.333 59.430 58.200 -0.171 0.000 1.033 119 S CB -0.133 62.981 63.200 -0.142 0.000 0.760 119 S HN 2.651 nan 8.310 nan 0.000 0.488 120 G N 2.014 110.686 108.800 -0.213 0.000 2.270 120 G HA2 0.021 3.980 3.960 -0.002 0.000 0.270 120 G HA3 0.021 3.980 3.960 -0.002 0.000 0.270 120 G C 0.561 175.169 174.900 -0.487 0.000 0.795 120 G CA 0.211 45.159 45.100 -0.253 0.000 1.025 120 G HN 1.445 nan 8.290 nan 0.000 0.457 121 G N -1.168 107.323 108.800 -0.515 0.000 2.406 121 G HA2 0.399 4.358 3.960 -0.002 0.000 0.251 121 G HA3 0.399 4.358 3.960 -0.002 0.000 0.251 121 G C 0.718 175.264 174.900 -0.590 0.000 1.271 121 G CA -0.739 43.905 45.100 -0.760 0.000 0.859 121 G HN 0.340 nan 8.290 nan 0.000 0.540 122 F N 0.094 119.666 119.950 -0.630 0.000 2.661 122 F HA 0.190 4.716 4.527 -0.002 0.000 0.298 122 F C 0.767 176.475 175.800 -0.153 0.000 1.137 122 F CA -0.405 57.394 58.000 -0.335 0.000 1.454 122 F CB 0.188 39.055 39.000 -0.221 0.000 1.103 122 F HN 0.640 nan 8.300 nan 0.000 0.577 123 W N 0.049 121.337 121.300 -0.021 0.000 3.107 123 W HA 0.583 5.242 4.660 -0.002 0.000 0.331 123 W C -3.121 173.308 176.519 -0.150 0.000 1.204 123 W CA -3.455 53.820 57.345 -0.116 0.000 1.184 123 W CB -0.660 28.743 29.460 -0.095 0.000 1.421 123 W HN -0.427 nan 8.180 nan 0.000 0.544 124 P HA 0.343 nan 4.420 nan 0.000 0.276 124 P C -0.793 176.674 177.300 0.278 0.000 1.230 124 P CA -0.127 62.989 63.100 0.026 0.000 0.776 124 P CB 1.332 32.908 31.700 -0.205 0.000 0.888 125 R N 2.058 122.673 120.500 0.191 0.000 2.832 125 R HA 0.564 4.903 4.340 -0.002 0.000 0.271 125 R C 0.340 176.707 176.300 0.111 0.000 0.996 125 R CA -0.849 55.353 56.100 0.170 0.000 0.977 125 R CB 1.833 32.138 30.300 0.008 0.000 1.168 125 R HN 0.380 nan 8.270 nan 0.000 0.482 126 R N 0.423 120.956 120.500 0.054 0.000 2.772 126 R HA 0.140 4.479 4.340 -0.002 0.000 0.358 126 R C -0.988 175.342 176.300 0.051 0.000 1.143 126 R CA -0.149 55.949 56.100 -0.004 0.000 1.153 126 R CB 1.019 31.232 30.300 -0.146 0.000 1.329 126 R HN 0.681 nan 8.270 nan 0.000 0.615 127 S N -1.000 114.743 115.700 0.071 0.000 2.552 127 S HA 0.326 4.795 4.470 -0.002 0.000 0.314 127 S C 0.531 175.229 174.600 0.165 0.000 1.099 127 S CA -0.956 57.325 58.200 0.135 0.000 1.070 127 S CB 2.424 65.711 63.200 0.144 0.000 0.998 127 S HN 0.387 nan 8.310 nan 0.000 0.474 128 R N 3.097 123.727 120.500 0.217 0.000 2.052 128 R HA 0.289 4.628 4.340 -0.002 0.000 0.224 128 R C -0.117 176.350 176.300 0.277 0.000 1.165 128 R CA 0.871 57.103 56.100 0.221 0.000 0.939 128 R CB -0.578 29.881 30.300 0.266 0.000 0.834 128 R HN 0.557 nan 8.270 nan 0.000 0.435 129 L N 1.014 122.417 121.223 0.301 0.000 2.292 129 L HA 0.269 4.608 4.340 -0.002 0.000 0.284 129 L C -1.048 176.142 176.870 0.533 0.000 1.065 129 L CA 0.041 55.064 54.840 0.306 0.000 0.806 129 L CB 1.473 43.675 42.059 0.238 0.000 1.175 129 L HN 0.333 nan 8.230 nan 0.000 0.431 130 W N 5.573 127.055 121.300 0.303 0.000 2.453 130 W HA 0.402 5.061 4.660 -0.002 0.000 0.310 130 W C 0.415 177.065 176.519 0.218 0.000 1.000 130 W CA -1.049 56.506 57.345 0.350 0.000 1.367 130 W CB 1.763 31.446 29.460 0.371 0.000 1.269 130 W HN 0.712 nan 8.180 nan 0.000 0.418 131 G N 4.010 112.640 108.800 -0.282 0.000 2.144 131 G HA2 -0.000 3.959 3.960 -0.002 0.000 0.251 131 G HA3 -0.000 3.959 3.960 -0.002 0.000 0.251 131 G C 1.036 175.733 174.900 -0.338 0.000 0.780 131 G CA 0.896 45.681 45.100 -0.525 0.000 1.183 131 G HN 1.758 nan 8.290 nan 0.000 0.345 132 G N -1.487 107.088 108.800 -0.375 0.000 2.317 132 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.227 132 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.227 132 G C 0.523 175.315 174.900 -0.180 0.000 1.042 132 G CA 0.385 45.328 45.100 -0.261 0.000 0.623 132 G HN 1.696 nan 8.290 nan 0.000 0.509 133 V N 1.983 121.809 119.914 -0.147 0.000 2.439 133 V HA 0.538 4.657 4.120 -0.002 0.000 0.282 133 V C -0.114 175.796 176.094 -0.308 0.000 1.039 133 V CA -0.503 61.651 62.300 -0.244 0.000 0.913 133 V CB 1.768 33.394 31.823 -0.329 0.000 0.983 133 V HN 0.352 nan 8.190 nan 0.000 0.460 134 D N 2.692 122.929 120.400 -0.272 0.000 2.339 134 D HA 0.159 4.798 4.640 -0.002 0.000 0.241 134 D C 0.679 176.837 176.300 -0.237 0.000 1.183 134 D CA -0.043 53.844 54.000 -0.188 0.000 0.859 134 D CB 0.500 41.221 40.800 -0.132 0.000 1.067 134 D HN 0.560 nan 8.370 nan 0.000 0.484 135 H N 2.021 121.117 119.070 0.043 0.000 2.529 135 H HA 0.266 4.821 4.556 -0.002 0.000 0.277 135 H C 0.282 175.605 175.328 -0.008 0.000 1.004 135 H CA -0.216 55.846 56.048 0.023 0.000 1.167 135 H CB 0.341 30.121 29.762 0.030 0.000 1.445 135 H HN 0.371 nan 8.280 nan 0.000 0.554 136 A N 2.482 125.347 122.820 0.075 0.000 2.440 136 A HA 0.276 4.595 4.320 -0.002 0.000 0.251 136 A C -1.874 175.738 177.584 0.047 0.000 1.089 136 A CA -1.090 50.954 52.037 0.013 0.000 0.779 136 A CB -0.043 19.055 19.000 0.163 0.000 1.022 136 A HN 0.012 nan 8.150 nan 0.000 0.492 137 P HA 0.121 nan 4.420 nan 0.000 0.258 137 P C -0.035 177.338 177.300 0.121 0.000 1.172 137 P CA 0.741 63.878 63.100 0.061 0.000 0.762 137 P CB 0.257 31.988 31.700 0.052 0.000 0.764 138 A N 3.671 126.539 122.820 0.079 0.000 2.526 138 A HA 0.398 4.716 4.320 -0.002 0.000 0.267 138 A C 1.542 179.179 177.584 0.087 0.000 1.095 138 A CA 1.047 53.126 52.037 0.071 0.000 0.775 138 A CB -1.234 17.790 19.000 0.040 0.000 1.036 138 A HN 0.835 nan 8.150 nan 0.000 0.510 139 G N 2.336 111.197 108.800 0.102 0.000 3.031 139 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.198 139 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.198 139 G C 0.291 175.271 174.900 0.134 0.000 1.242 139 G CA -0.082 45.078 45.100 0.099 0.000 0.878 139 G HN 1.563 nan 8.290 nan 0.000 0.493 140 F N 3.712 123.679 119.950 0.029 0.000 2.232 140 F HA 0.186 4.712 4.527 -0.002 0.000 0.421 140 F C 0.532 176.341 175.800 0.015 0.000 0.928 140 F CA 1.009 59.027 58.000 0.031 0.000 1.008 140 F CB -0.195 38.827 39.000 0.037 0.000 0.821 140 F HN 0.341 nan 8.300 nan 0.000 0.504 141 N N 7.491 125.968 118.700 -0.373 0.000 2.839 141 N HA 0.199 4.938 4.740 -0.002 0.000 0.230 141 N C -2.950 172.365 175.510 -0.325 0.000 1.388 141 N CA -1.038 51.762 53.050 -0.417 0.000 0.747 141 N CB 1.064 39.448 38.487 -0.172 0.000 1.411 141 N HN 0.298 nan 8.380 nan 0.000 0.556 142 P HA 0.306 nan 4.420 nan 0.000 0.281 142 P C -0.415 176.841 177.300 -0.073 0.000 1.249 142 P CA -0.049 62.926 63.100 -0.208 0.000 0.810 142 P CB 1.194 32.707 31.700 -0.312 0.000 1.008 143 T N -1.325 113.245 114.554 0.027 0.000 2.907 143 T HA 0.522 4.871 4.350 -0.002 0.000 0.284 143 T C 0.056 174.817 174.700 0.103 0.000 1.004 143 T CA -0.709 61.441 62.100 0.083 0.000 1.063 143 T CB 1.127 70.039 68.868 0.074 0.000 0.992 143 T HN 0.184 nan 8.240 nan 0.000 0.483 144 V N 2.456 122.426 119.914 0.093 0.000 2.628 144 V HA 0.531 4.650 4.120 -0.002 0.000 0.306 144 V C 0.561 176.670 176.094 0.025 0.000 1.045 144 V CA -0.515 61.809 62.300 0.039 0.000 0.905 144 V CB 1.883 33.616 31.823 -0.149 0.000 0.997 144 V HN 1.235 nan 8.190 nan 0.000 0.436 145 T N 1.636 116.247 114.554 0.096 0.000 3.400 145 T HA 0.206 4.555 4.350 -0.002 0.000 0.228 145 T C 0.371 175.176 174.700 0.175 0.000 0.992 145 T CA 0.468 62.627 62.100 0.099 0.000 1.222 145 T CB 0.306 69.218 68.868 0.073 0.000 1.236 145 T HN 0.617 nan 8.240 nan 0.000 0.357 146 V N 1.770 121.787 119.914 0.173 0.000 2.644 146 V HA 0.862 4.981 4.120 -0.002 0.000 0.295 146 V C -0.738 175.617 176.094 0.435 0.000 1.053 146 V CA -1.305 61.113 62.300 0.198 0.000 0.987 146 V CB 0.411 32.276 31.823 0.071 0.000 1.006 146 V HN 0.586 nan 8.190 nan 0.000 0.472 147 F N 0.481 120.681 119.950 0.417 0.000 2.678 147 F HA 0.619 5.145 4.527 -0.002 0.000 0.308 147 F C -0.830 175.066 175.800 0.161 0.000 1.118 147 F CA -0.955 57.240 58.000 0.325 0.000 0.959 147 F CB 1.376 40.428 39.000 0.087 0.000 1.305 147 F HN 0.889 nan 8.300 nan 0.000 0.443 148 H N 1.373 120.191 119.070 -0.420 0.000 2.483 148 H HA 0.775 5.330 4.556 -0.002 0.000 0.338 148 H C -1.555 173.684 175.328 -0.149 0.000 1.152 148 H CA -0.600 54.929 56.048 -0.865 0.000 1.264 148 H CB 2.210 30.938 29.762 -1.723 0.000 1.510 148 H HN 0.654 nan 8.280 nan 0.000 0.530 149 V N 7.338 126.821 119.914 -0.718 0.000 2.444 149 V HA 0.052 4.171 4.120 -0.002 0.000 0.294 149 V C -0.068 175.760 176.094 -0.443 0.000 1.022 149 V CA -0.442 61.674 62.300 -0.307 0.000 0.850 149 V CB 0.919 32.633 31.823 -0.181 0.000 0.992 149 V HN 0.858 nan 8.190 nan 0.000 0.426 150 Y N 1.679 121.858 120.300 -0.203 0.000 2.535 150 Y HA 0.607 5.156 4.550 -0.002 0.000 0.264 150 Y C 0.330 176.250 175.900 0.032 0.000 1.087 150 Y CA -0.253 57.772 58.100 -0.124 0.000 1.285 150 Y CB 0.653 38.989 38.460 -0.207 0.000 1.200 150 Y HN 0.511 nan 8.280 nan 0.000 0.514 151 D N 0.485 120.380 120.400 -0.841 0.000 2.661 151 D HA 0.541 5.180 4.640 -0.002 0.000 0.228 151 D C -1.430 174.619 176.300 -0.419 0.000 1.183 151 D CA -0.437 53.204 54.000 -0.598 0.000 0.844 151 D CB 2.474 42.773 40.800 -0.835 0.000 1.555 151 D HN 0.174 nan 8.370 nan 0.000 0.453 152 I N 2.232 122.654 120.570 -0.247 0.000 2.582 152 I HA 0.390 4.559 4.170 -0.002 0.000 0.292 152 I C -0.670 175.340 176.117 -0.177 0.000 1.066 152 I CA -0.802 60.371 61.300 -0.212 0.000 1.053 152 I CB 1.811 39.734 38.000 -0.129 0.000 1.241 152 I HN 0.149 nan 8.210 nan 0.000 0.421 153 L N 5.109 126.215 121.223 -0.196 0.000 2.334 153 L HA 0.567 4.906 4.340 -0.002 0.000 0.273 153 L C -0.473 176.311 176.870 -0.143 0.000 1.013 153 L CA -0.810 53.941 54.840 -0.148 0.000 0.816 153 L CB 1.701 43.675 42.059 -0.142 0.000 1.278 153 L HN 0.539 nan 8.230 nan 0.000 0.431 154 E N 2.241 122.379 120.200 -0.102 0.000 2.158 154 E HA 0.468 4.817 4.350 -0.002 0.000 0.271 154 E C -1.415 175.137 176.600 -0.080 0.000 0.911 154 E CA -0.677 55.665 56.400 -0.097 0.000 0.767 154 E CB 1.728 31.389 29.700 -0.065 0.000 1.120 154 E HN 0.550 nan 8.360 nan 0.000 0.405 155 N N 0.340 118.984 118.700 -0.095 0.000 2.284 155 N HA 0.353 5.092 4.740 -0.002 0.000 0.289 155 N C -1.077 174.367 175.510 -0.110 0.000 1.179 155 N CA -0.917 52.085 53.050 -0.080 0.000 0.774 155 N CB 2.148 40.595 38.487 -0.067 0.000 1.548 155 N HN 0.300 nan 8.380 nan 0.000 0.473 156 V N -1.861 117.986 119.914 -0.112 0.000 2.607 156 V HA 0.557 4.676 4.120 -0.002 0.000 0.289 156 V C -0.157 175.772 176.094 -0.276 0.000 1.053 156 V CA -0.216 61.961 62.300 -0.205 0.000 0.996 156 V CB 1.105 32.794 31.823 -0.223 0.000 0.995 156 V HN 0.614 nan 8.190 nan 0.000 0.476 157 E N 2.428 122.426 120.200 -0.336 0.000 2.277 157 E HA 0.560 4.909 4.350 -0.002 0.000 0.266 157 E C -1.305 175.005 176.600 -0.484 0.000 0.901 157 E CA -0.871 55.351 56.400 -0.296 0.000 0.782 157 E CB 1.975 31.628 29.700 -0.079 0.000 1.228 157 E HN 0.847 nan 8.360 nan 0.000 0.424 158 H N 0.289 119.236 119.070 -0.204 0.000 2.529 158 H HA 0.271 4.826 4.556 -0.002 0.000 0.348 158 H C 0.334 175.434 175.328 -0.379 0.000 1.079 158 H CA -0.360 55.470 56.048 -0.364 0.000 1.198 158 H CB 2.092 31.402 29.762 -0.752 0.000 1.521 158 H HN 0.726 nan 8.280 nan 0.000 0.514 159 A N 3.567 126.324 122.820 -0.106 0.000 1.908 159 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 159 A C 1.931 179.479 177.584 -0.061 0.000 1.181 159 A CA 1.917 53.932 52.037 -0.036 0.000 0.627 159 A CB -1.051 17.972 19.000 0.038 0.000 0.818 159 A HN 0.825 nan 8.150 nan 0.000 0.445 160 Y N -1.400 118.923 120.300 0.039 0.000 2.224 160 Y HA 0.106 4.655 4.550 -0.002 0.000 0.289 160 Y C 2.172 178.059 175.900 -0.022 0.000 1.146 160 Y CA 0.675 58.773 58.100 -0.003 0.000 1.182 160 Y CB -1.249 37.199 38.460 -0.021 0.000 0.983 160 Y HN 0.085 nan 8.280 nan 0.000 0.524 161 G N 0.554 109.172 108.800 -0.304 0.000 2.625 161 G HA2 -0.080 3.879 3.960 -0.002 0.000 0.214 161 G HA3 -0.080 3.879 3.960 -0.002 0.000 0.214 161 G C 1.174 176.006 174.900 -0.113 0.000 1.132 161 G CA 0.772 45.802 45.100 -0.116 0.000 0.782 161 G HN 0.382 nan 8.290 nan 0.000 0.538 162 M N -0.339 119.175 119.600 -0.144 0.000 2.313 162 M HA 0.296 4.775 4.480 -0.002 0.000 0.273 162 M C 1.809 177.957 176.300 -0.253 0.000 1.049 162 M CA -0.224 54.933 55.300 -0.238 0.000 1.004 162 M CB 0.101 32.568 32.600 -0.223 0.000 1.461 162 M HN 0.021 nan 8.290 nan 0.000 0.514 163 R N 1.074 121.500 120.500 -0.123 0.000 2.140 163 R HA -0.128 4.211 4.340 -0.002 0.000 0.250 163 R C 1.819 178.043 176.300 -0.127 0.000 1.150 163 R CA 1.959 58.005 56.100 -0.090 0.000 0.966 163 R CB -1.033 29.249 30.300 -0.031 0.000 0.869 163 R HN 0.406 nan 8.270 nan 0.000 0.445 164 A N 0.388 123.122 122.820 -0.144 0.000 2.178 164 A HA 0.364 4.683 4.320 -0.002 0.000 0.211 164 A C 1.022 178.488 177.584 -0.196 0.000 1.157 164 A CA 0.444 52.402 52.037 -0.131 0.000 0.780 164 A CB -0.023 18.919 19.000 -0.096 0.000 0.828 164 A HN 0.302 nan 8.150 nan 0.000 0.476 165 A N -0.112 122.496 122.820 -0.355 0.000 2.425 165 A HA 0.405 4.724 4.320 -0.002 0.000 0.242 165 A C 0.268 177.593 177.584 -0.432 0.000 1.077 165 A CA -0.058 51.638 52.037 -0.569 0.000 0.781 165 A CB 0.138 18.339 19.000 -1.331 0.000 1.020 165 A HN 0.318 nan 8.150 nan 0.000 0.494 166 Q N 1.600 121.301 119.800 -0.165 0.000 3.035 166 Q HA 0.257 4.596 4.340 -0.002 0.000 0.354 166 Q C -1.252 174.880 176.000 0.219 0.000 1.247 166 Q CA 0.341 56.156 55.803 0.020 0.000 1.068 166 Q CB -0.000 28.755 28.738 0.029 0.000 1.424 166 Q HN 0.664 nan 8.270 nan 0.000 0.486 167 F N 0.357 120.280 119.950 -0.045 0.000 2.394 167 F HA 0.262 4.788 4.527 -0.002 0.000 0.340 167 F C 1.002 176.837 175.800 0.059 0.000 1.105 167 F CA -1.118 56.866 58.000 -0.027 0.000 1.124 167 F CB 0.979 39.973 39.000 -0.011 0.000 1.145 167 F HN 0.265 nan 8.300 nan 0.000 0.505 168 H N 1.362 120.622 119.070 0.315 0.000 2.897 168 H HA 0.020 4.575 4.556 -0.002 0.000 0.347 168 H C 0.918 176.202 175.328 -0.073 0.000 1.068 168 H CA -0.009 56.070 56.048 0.052 0.000 1.426 168 H CB 1.062 30.763 29.762 -0.101 0.000 1.410 168 H HN 0.872 nan 8.280 nan 0.000 0.597 169 A N 4.255 127.095 122.820 0.034 0.000 1.948 169 A HA -0.272 4.047 4.320 -0.002 0.000 0.220 169 A C 2.354 179.852 177.584 -0.143 0.000 1.177 169 A CA 1.880 53.896 52.037 -0.035 0.000 0.636 169 A CB -0.536 18.443 19.000 -0.035 0.000 0.815 169 A HN 0.923 nan 8.150 nan 0.000 0.449 170 R N -1.096 119.220 120.500 -0.307 0.000 2.117 170 R HA -0.183 4.156 4.340 -0.002 0.000 0.243 170 R C 1.821 177.922 176.300 -0.333 0.000 1.143 170 R CA 2.018 57.901 56.100 -0.362 0.000 0.968 170 R CB -0.966 29.042 30.300 -0.486 0.000 0.863 170 R HN 0.516 nan 8.270 nan 0.000 0.444 171 F N 1.017 120.857 119.950 -0.183 0.000 2.128 171 F HA -0.027 4.499 4.527 -0.002 0.000 0.295 171 F C 2.822 178.469 175.800 -0.255 0.000 1.100 171 F CA 0.530 58.236 58.000 -0.491 0.000 1.260 171 F CB -0.277 38.158 39.000 -0.942 0.000 1.009 171 F HN -0.151 nan 8.300 nan 0.000 0.476 172 M N 0.268 119.901 119.600 0.054 0.000 2.086 172 M HA -0.202 4.276 4.480 -0.002 0.000 0.261 172 M C 1.666 177.999 176.300 0.055 0.000 1.067 172 M CA 1.546 56.899 55.300 0.088 0.000 1.116 172 M CB -1.142 31.508 32.600 0.083 0.000 1.348 172 M HN 0.075 nan 8.290 nan 0.000 0.407 173 D N 0.954 121.363 120.400 0.015 0.000 2.154 173 D HA -0.168 4.471 4.640 -0.002 0.000 0.190 173 D C 1.907 178.226 176.300 0.032 0.000 1.003 173 D CA 2.079 56.083 54.000 0.005 0.000 0.849 173 D CB -0.301 40.485 40.800 -0.024 0.000 0.942 173 D HN 0.398 nan 8.370 nan 0.000 0.446 174 A N 0.345 123.211 122.820 0.076 0.000 2.125 174 A HA -0.084 4.235 4.320 -0.002 0.000 0.219 174 A C 1.849 179.513 177.584 0.134 0.000 1.156 174 A CA 1.044 53.162 52.037 0.135 0.000 0.671 174 A CB -0.669 18.488 19.000 0.261 0.000 0.794 174 A HN 0.499 nan 8.150 nan 0.000 0.459 175 I N -5.289 115.357 120.570 0.126 0.000 3.424 175 I HA 0.293 4.462 4.170 -0.002 0.000 0.339 175 I C 0.799 176.930 176.117 0.023 0.000 1.549 175 I CA -0.157 61.188 61.300 0.074 0.000 1.049 175 I CB 0.077 38.150 38.000 0.121 0.000 1.439 175 I HN -0.149 nan 8.210 nan 0.000 0.500 176 T N 2.595 117.149 114.554 0.001 0.000 2.623 176 T HA 0.044 4.393 4.350 -0.002 0.000 0.254 176 T C -0.395 174.305 174.700 0.001 0.000 1.075 176 T CA 1.956 64.055 62.100 -0.002 0.000 1.177 176 T CB -0.920 67.940 68.868 -0.014 0.000 0.869 176 T HN 0.347 nan 8.240 nan 0.000 0.403 177 P HA 0.103 nan 4.420 nan 0.000 0.215 177 P C 0.371 177.732 177.300 0.102 0.000 1.157 177 P CA 1.360 64.453 63.100 -0.013 0.000 0.863 177 P CB 0.073 31.605 31.700 -0.279 0.000 0.787 178 T N -2.481 112.080 114.554 0.011 0.000 2.769 178 T HA 0.638 4.987 4.350 -0.002 0.000 0.306 178 T C -0.756 173.916 174.700 -0.047 0.000 1.400 178 T CA -0.256 61.844 62.100 0.000 0.000 1.007 178 T CB 2.004 70.934 68.868 0.104 0.000 1.392 178 T HN 0.154 nan 8.240 nan 0.000 0.500 179 G N 0.414 109.160 108.800 -0.089 0.000 2.556 179 G HA2 0.519 4.478 3.960 -0.002 0.000 0.294 179 G HA3 0.519 4.478 3.960 -0.002 0.000 0.294 179 G C -1.254 173.596 174.900 -0.083 0.000 1.516 179 G CA -0.591 44.485 45.100 -0.040 0.000 0.824 179 G HN 0.680 nan 8.290 nan 0.000 0.535 180 T N 0.881 115.403 114.554 -0.053 0.000 2.771 180 T HA 0.518 4.867 4.350 -0.002 0.000 0.291 180 T C 0.175 174.787 174.700 -0.148 0.000 0.954 180 T CA -0.243 61.806 62.100 -0.084 0.000 1.045 180 T CB 1.462 70.309 68.868 -0.034 0.000 0.917 180 T HN 0.489 nan 8.240 nan 0.000 0.484 181 V N 4.990 124.774 119.914 -0.217 0.000 2.398 181 V HA 0.439 4.558 4.120 -0.002 0.000 0.286 181 V C 0.048 175.978 176.094 -0.274 0.000 1.026 181 V CA -0.853 61.236 62.300 -0.352 0.000 0.868 181 V CB 1.373 32.904 31.823 -0.486 0.000 0.982 181 V HN 0.792 nan 8.190 nan 0.000 0.443 182 I N 3.857 124.231 120.570 -0.326 0.000 2.304 182 I HA 0.303 4.472 4.170 -0.002 0.000 0.291 182 I C 0.322 176.199 176.117 -0.401 0.000 1.018 182 I CA 0.321 61.405 61.300 -0.360 0.000 1.260 182 I CB 1.392 39.087 38.000 -0.509 0.000 1.390 182 I HN 0.573 nan 8.210 nan 0.000 0.475 183 T N 7.610 121.958 114.554 -0.345 0.000 2.770 183 T HA 0.457 4.806 4.350 -0.002 0.000 0.297 183 T C 0.036 174.489 174.700 -0.412 0.000 0.997 183 T CA -0.513 61.335 62.100 -0.419 0.000 0.949 183 T CB 0.418 69.059 68.868 -0.379 0.000 0.941 183 T HN 0.264 nan 8.240 nan 0.000 0.457 184 L N 4.788 125.748 121.223 -0.439 0.000 2.313 184 L HA 0.439 4.778 4.340 -0.002 0.000 0.282 184 L C -0.121 176.541 176.870 -0.346 0.000 1.092 184 L CA -0.505 54.118 54.840 -0.361 0.000 0.831 184 L CB 0.252 42.124 42.059 -0.312 0.000 1.159 184 L HN 0.387 nan 8.230 nan 0.000 0.442 185 L N 3.305 124.319 121.223 -0.347 0.000 2.317 185 L HA 0.888 5.227 4.340 -0.002 0.000 0.281 185 L C 0.557 177.337 176.870 -0.150 0.000 1.024 185 L CA -0.251 54.402 54.840 -0.312 0.000 0.810 185 L CB 1.762 43.533 42.059 -0.480 0.000 1.240 185 L HN 0.837 nan 8.230 nan 0.000 0.427 186 G N 2.204 111.133 108.800 0.215 0.000 2.399 186 G HA2 0.459 4.418 3.960 -0.002 0.000 0.256 186 G HA3 0.459 4.418 3.960 -0.002 0.000 0.256 186 G C -1.925 173.244 174.900 0.448 0.000 1.236 186 G CA -0.365 45.092 45.100 0.595 0.000 0.914 186 G HN 0.560 nan 8.290 nan 0.000 0.482 187 L N -2.270 119.139 121.223 0.309 0.000 2.630 187 L HA 0.930 5.269 4.340 -0.002 0.000 0.258 187 L C 0.419 177.387 176.870 0.164 0.000 1.072 187 L CA -0.299 54.638 54.840 0.162 0.000 0.885 187 L CB 1.118 43.235 42.059 0.097 0.000 1.502 187 L HN 1.106 nan 8.230 nan 0.000 0.406 188 T N -3.735 110.962 114.554 0.237 0.000 2.810 188 T HA 0.558 4.907 4.350 -0.002 0.000 0.277 188 T C -1.935 172.969 174.700 0.340 0.000 0.973 188 T CA -1.433 60.874 62.100 0.346 0.000 0.949 188 T CB 0.768 69.837 68.868 0.335 0.000 1.075 188 T HN 0.616 nan 8.240 nan 0.000 0.537 189 P HA -0.002 nan 4.420 nan 0.000 0.219 189 P C 0.907 178.279 177.300 0.120 0.000 1.146 189 P CA 0.947 64.197 63.100 0.250 0.000 0.808 189 P CB -0.020 31.748 31.700 0.113 0.000 0.779 190 E N -1.819 118.432 120.200 0.086 0.000 2.371 190 E HA 0.203 4.552 4.350 -0.002 0.000 0.194 190 E C 1.545 178.054 176.600 -0.150 0.000 1.012 190 E CA 0.917 57.292 56.400 -0.042 0.000 0.860 190 E CB -0.542 29.108 29.700 -0.083 0.000 0.811 190 E HN 0.230 nan 8.360 nan 0.000 0.502 191 G N -0.073 108.681 108.800 -0.076 0.000 2.229 191 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.189 191 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.189 191 G C -0.284 174.621 174.900 0.008 0.000 1.000 191 G CA -0.382 44.679 45.100 -0.065 0.000 0.663 191 G HN 0.406 nan 8.290 nan 0.000 0.493 192 H N 1.397 120.551 119.070 0.139 0.000 2.886 192 H HA 0.412 4.967 4.556 -0.002 0.000 0.329 192 H C 0.913 176.338 175.328 0.160 0.000 1.044 192 H CA -0.072 56.085 56.048 0.181 0.000 1.456 192 H CB 0.469 30.371 29.762 0.233 0.000 1.464 192 H HN 0.203 nan 8.280 nan 0.000 0.573 193 R N 2.958 123.639 120.500 0.302 0.000 2.347 193 R HA 0.222 4.561 4.340 -0.002 0.000 0.304 193 R C -0.780 175.613 176.300 0.156 0.000 1.072 193 R CA -0.440 55.787 56.100 0.213 0.000 0.980 193 R CB 0.645 31.054 30.300 0.182 0.000 0.986 193 R HN 0.299 nan 8.270 nan 0.000 0.448 194 V N 0.629 120.600 119.914 0.095 0.000 2.680 194 V HA 0.794 4.913 4.120 -0.002 0.000 0.309 194 V C -0.209 175.793 176.094 -0.154 0.000 1.052 194 V CA -1.202 61.072 62.300 -0.043 0.000 0.908 194 V CB 1.878 33.616 31.823 -0.141 0.000 1.001 194 V HN 0.846 nan 8.190 nan 0.000 0.431 195 A N 3.057 125.714 122.820 -0.270 0.000 2.353 195 A HA 0.827 5.146 4.320 -0.002 0.000 0.299 195 A C -1.011 176.252 177.584 -0.535 0.000 1.089 195 A CA -0.535 51.242 52.037 -0.434 0.000 0.736 195 A CB 1.620 20.356 19.000 -0.440 0.000 1.195 195 A HN 0.812 nan 8.150 nan 0.000 0.447 196 V N 4.464 124.018 119.914 -0.600 0.000 2.409 196 V HA 0.346 4.465 4.120 -0.002 0.000 0.291 196 V C -0.541 175.251 176.094 -0.502 0.000 1.020 196 V CA -0.568 61.436 62.300 -0.493 0.000 0.848 196 V CB 1.246 32.724 31.823 -0.575 0.000 0.990 196 V HN 0.859 nan 8.190 nan 0.000 0.430 197 H N 3.811 122.721 119.070 -0.266 0.000 2.641 197 H HA 0.339 4.894 4.556 -0.002 0.000 0.295 197 H C -0.528 174.613 175.328 -0.311 0.000 1.070 197 H CA -0.384 55.464 56.048 -0.333 0.000 1.257 197 H CB 1.774 31.340 29.762 -0.326 0.000 1.393 197 H HN 0.414 nan 8.280 nan 0.000 0.464 198 V N 5.888 125.635 119.914 -0.278 0.000 2.389 198 V HA 0.053 4.172 4.120 -0.002 0.000 0.264 198 V C -0.081 175.876 176.094 -0.228 0.000 1.049 198 V CA -0.433 61.766 62.300 -0.168 0.000 0.932 198 V CB -0.827 30.853 31.823 -0.239 0.000 1.011 198 V HN 0.507 nan 8.190 nan 0.000 0.475 199 Y N 2.445 122.764 120.300 0.033 0.000 2.354 199 Y HA 0.696 5.245 4.550 -0.002 0.000 0.322 199 Y C 1.428 177.404 175.900 0.126 0.000 1.253 199 Y CA 0.463 58.615 58.100 0.088 0.000 1.272 199 Y CB 1.540 40.111 38.460 0.185 0.000 1.255 199 Y HN 0.743 nan 8.280 nan 0.000 0.500 200 G N -0.140 108.808 108.800 0.247 0.000 2.284 200 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.216 200 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.216 200 G C 0.045 175.044 174.900 0.165 0.000 1.009 200 G CA -0.150 45.065 45.100 0.192 0.000 0.625 200 G HN 0.643 nan 8.290 nan 0.000 0.501 201 T N 2.600 117.254 114.554 0.166 0.000 2.834 201 T HA 0.572 4.921 4.350 -0.002 0.000 0.298 201 T C 0.394 175.209 174.700 0.192 0.000 0.966 201 T CA 0.194 62.417 62.100 0.205 0.000 1.141 201 T CB 1.330 70.329 68.868 0.218 0.000 0.905 201 T HN 0.478 nan 8.240 nan 0.000 0.535 202 R N 2.070 122.731 120.500 0.268 0.000 2.711 202 R HA 0.352 4.691 4.340 -0.002 0.000 0.284 202 R C 0.070 176.595 176.300 0.375 0.000 0.968 202 R CA -0.856 55.428 56.100 0.307 0.000 0.924 202 R CB 1.681 32.209 30.300 0.378 0.000 1.162 202 R HN 0.640 nan 8.270 nan 0.000 0.465 203 Q N 1.874 121.831 119.800 0.262 0.000 2.306 203 Q HA 0.260 4.599 4.340 -0.002 0.000 0.241 203 Q C -0.959 175.185 176.000 0.240 0.000 0.948 203 Q CA -0.174 55.718 55.803 0.148 0.000 0.886 203 Q CB 1.046 29.839 28.738 0.091 0.000 1.227 203 Q HN 0.523 nan 8.270 nan 0.000 0.457 204 Y N -1.014 119.320 120.300 0.056 0.000 2.644 204 Y HA 0.794 5.343 4.550 -0.002 0.000 0.338 204 Y C -0.898 175.025 175.900 0.038 0.000 1.119 204 Y CA -1.670 56.351 58.100 -0.133 0.000 1.060 204 Y CB 1.199 39.270 38.460 -0.648 0.000 1.294 204 Y HN 0.611 nan 8.280 nan 0.000 0.472 205 F N -1.241 118.650 119.950 -0.098 0.000 2.713 205 F HA 0.796 5.322 4.527 -0.002 0.000 0.311 205 F C -2.432 173.304 175.800 -0.107 0.000 1.141 205 F CA -1.848 56.147 58.000 -0.010 0.000 0.939 205 F CB 1.176 40.239 39.000 0.104 0.000 1.325 205 F HN 0.462 nan 8.300 nan 0.000 0.453 206 Y N 1.574 122.002 120.300 0.214 0.000 2.549 206 Y HA 0.852 5.401 4.550 -0.002 0.000 0.339 206 Y C -0.137 175.970 175.900 0.345 0.000 1.053 206 Y CA -1.389 56.764 58.100 0.088 0.000 1.105 206 Y CB 2.138 40.555 38.460 -0.072 0.000 1.258 206 Y HN 0.636 nan 8.280 nan 0.000 0.478 207 M N 1.099 121.016 119.600 0.527 0.000 2.465 207 M HA 0.226 4.705 4.480 -0.002 0.000 0.284 207 M C -1.362 175.243 176.300 0.509 0.000 1.212 207 M CA -0.765 54.883 55.300 0.579 0.000 0.910 207 M CB 2.530 35.434 32.600 0.506 0.000 1.725 207 M HN 0.719 nan 8.290 nan 0.000 0.477 208 N N 1.827 120.720 118.700 0.322 0.000 2.447 208 N HA 0.024 4.763 4.740 -0.002 0.000 0.263 208 N C 0.569 175.995 175.510 -0.140 0.000 1.226 208 N CA 0.414 53.338 53.050 -0.210 0.000 0.906 208 N CB 1.078 39.467 38.487 -0.163 0.000 1.060 208 N HN 0.596 nan 8.380 nan 0.000 0.468 209 K N 2.480 122.651 120.400 -0.381 0.000 1.963 209 K HA -0.186 4.133 4.320 -0.002 0.000 0.216 209 K C 1.389 177.912 176.600 -0.128 0.000 1.045 209 K CA 1.096 57.160 56.287 -0.372 0.000 0.954 209 K CB -0.180 31.955 32.500 -0.607 0.000 0.732 209 K HN 0.684 nan 8.250 nan 0.000 0.442 210 E N 1.065 121.166 120.200 -0.166 0.000 2.130 210 E HA -0.274 4.075 4.350 -0.002 0.000 0.196 210 E C 1.847 178.428 176.600 -0.032 0.000 0.998 210 E CA 1.571 57.919 56.400 -0.087 0.000 0.806 210 E CB -0.008 29.627 29.700 -0.109 0.000 0.738 210 E HN 0.420 nan 8.360 nan 0.000 0.459 211 E N -0.183 120.003 120.200 -0.023 0.000 2.031 211 E HA -0.151 4.198 4.350 -0.002 0.000 0.193 211 E C 2.248 178.912 176.600 0.105 0.000 0.994 211 E CA 1.452 57.880 56.400 0.047 0.000 0.800 211 E CB 0.094 29.828 29.700 0.058 0.000 0.752 211 E HN 0.121 nan 8.360 nan 0.000 0.447 212 V N 1.664 121.655 119.914 0.127 0.000 2.270 212 V HA -0.236 3.883 4.120 -0.002 0.000 0.245 212 V C 2.046 178.235 176.094 0.158 0.000 1.043 212 V CA 2.108 64.512 62.300 0.173 0.000 1.014 212 V CB -0.513 31.475 31.823 0.276 0.000 0.645 212 V HN 0.345 nan 8.190 nan 0.000 0.447 213 D N -0.762 119.741 120.400 0.172 0.000 2.239 213 D HA -0.216 4.423 4.640 -0.002 0.000 0.202 213 D C 2.279 178.609 176.300 0.050 0.000 0.993 213 D CA 1.527 55.606 54.000 0.132 0.000 0.874 213 D CB 0.007 40.872 40.800 0.109 0.000 0.922 213 D HN 0.386 nan 8.370 nan 0.000 0.464 214 R N -0.547 119.956 120.500 0.004 0.000 2.055 214 R HA -0.023 4.316 4.340 -0.002 0.000 0.221 214 R C 1.040 177.280 176.300 -0.099 0.000 1.154 214 R CA 0.326 56.376 56.100 -0.084 0.000 0.975 214 R CB 0.015 30.213 30.300 -0.171 0.000 0.869 214 R HN 0.110 nan 8.270 nan 0.000 0.437 215 H N 2.332 121.407 119.070 0.007 0.000 3.680 215 H HA 0.111 4.666 4.556 -0.002 0.000 0.204 215 H C -0.426 174.895 175.328 -0.011 0.000 1.738 215 H CA 0.681 56.724 56.048 -0.009 0.000 1.409 215 H CB -0.848 28.899 29.762 -0.026 0.000 1.730 215 H HN 0.222 nan 8.280 nan 0.000 0.684 216 L N 1.730 123.002 121.223 0.082 0.000 2.649 216 L HA -0.244 4.095 4.340 -0.002 0.000 0.719 216 L C 0.339 177.257 176.870 0.079 0.000 1.174 216 L CA 0.150 55.031 54.840 0.069 0.000 1.384 216 L CB -0.670 41.432 42.059 0.072 0.000 2.099 216 L HN 0.554 nan 8.230 nan 0.000 0.951 217 Q N -0.918 118.919 119.800 0.062 0.000 4.467 217 Q HA -0.082 4.257 4.340 -0.002 0.000 0.230 217 Q C -0.502 175.523 176.000 0.041 0.000 0.712 217 Q CA 1.231 57.055 55.803 0.035 0.000 1.152 217 Q CB -0.710 28.046 28.738 0.031 0.000 0.611 217 Q HN 0.748 nan 8.270 nan 0.000 1.150 218 C N 0.944 120.281 119.300 0.062 0.000 3.027 218 C HA 0.498 4.957 4.460 -0.002 0.000 0.350 218 C C 1.440 176.485 174.990 0.092 0.000 1.042 218 C CA -0.982 58.069 59.018 0.055 0.000 1.350 218 C CB 0.305 28.064 27.740 0.031 0.000 1.809 218 C HN 0.293 nan 8.230 nan 0.000 0.513 219 R N 2.002 122.574 120.500 0.120 0.000 2.083 219 R HA -0.012 4.327 4.340 -0.002 0.000 0.237 219 R C 1.232 177.647 176.300 0.191 0.000 1.137 219 R CA 1.447 57.675 56.100 0.212 0.000 0.951 219 R CB -0.325 30.053 30.300 0.130 0.000 0.851 219 R HN 0.778 nan 8.270 nan 0.000 0.434 220 A N 3.846 126.721 122.820 0.091 0.000 2.540 220 A HA 0.046 4.365 4.320 -0.002 0.000 0.264 220 A C -1.382 176.210 177.584 0.012 0.000 1.080 220 A CA -0.931 51.140 52.037 0.057 0.000 0.776 220 A CB 0.024 19.045 19.000 0.035 0.000 1.011 220 A HN 0.147 nan 8.150 nan 0.000 0.514 221 P HA -0.175 nan 4.420 nan 0.000 0.219 221 P C 1.409 178.659 177.300 -0.082 0.000 1.146 221 P CA 1.003 64.063 63.100 -0.067 0.000 0.808 221 P CB 0.132 31.850 31.700 0.029 0.000 0.779 222 R N 0.140 120.625 120.500 -0.026 0.000 2.075 222 R HA -0.101 4.238 4.340 -0.002 0.000 0.232 222 R C 2.002 178.280 176.300 -0.036 0.000 1.126 222 R CA 1.412 57.504 56.100 -0.013 0.000 0.963 222 R CB -0.545 29.763 30.300 0.013 0.000 0.858 222 R HN 0.049 nan 8.270 nan 0.000 0.435 223 D N 0.903 121.282 120.400 -0.035 0.000 2.149 223 D HA -0.250 4.389 4.640 -0.002 0.000 0.194 223 D C 1.865 178.120 176.300 -0.074 0.000 1.001 223 D CA 1.098 55.077 54.000 -0.035 0.000 0.849 223 D CB -0.106 40.685 40.800 -0.015 0.000 0.939 223 D HN 0.273 nan 8.370 nan 0.000 0.449 224 L N 0.669 121.806 121.223 -0.144 0.000 1.994 224 L HA -0.210 4.129 4.340 -0.002 0.000 0.208 224 L C 2.544 179.247 176.870 -0.277 0.000 1.071 224 L CA 1.432 56.141 54.840 -0.219 0.000 0.745 224 L CB -0.327 41.481 42.059 -0.418 0.000 0.892 224 L HN 0.164 nan 8.230 nan 0.000 0.431 225 C N -0.013 119.133 119.300 -0.256 0.000 2.413 225 C HA -0.187 4.272 4.460 -0.002 0.000 0.276 225 C C 2.486 177.348 174.990 -0.213 0.000 1.248 225 C CA 0.791 59.630 59.018 -0.297 0.000 1.742 225 C CB -1.059 26.683 27.740 0.003 0.000 2.017 225 C HN 0.551 nan 8.230 nan 0.000 0.481 226 E N 0.344 120.495 120.200 -0.081 0.000 2.085 226 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 226 E C 2.487 179.049 176.600 -0.064 0.000 0.994 226 E CA 1.056 57.437 56.400 -0.031 0.000 0.801 226 E CB -0.137 29.559 29.700 -0.007 0.000 0.743 226 E HN 0.593 nan 8.360 nan 0.000 0.453 227 R N -0.089 120.358 120.500 -0.089 0.000 2.092 227 R HA -0.061 4.278 4.340 -0.002 0.000 0.231 227 R C 2.313 178.540 176.300 -0.120 0.000 1.119 227 R CA 1.111 57.191 56.100 -0.033 0.000 0.970 227 R CB -0.220 30.121 30.300 0.067 0.000 0.864 227 R HN 0.276 nan 8.270 nan 0.000 0.440 228 M N 0.079 119.422 119.600 -0.428 0.000 2.200 228 M HA -0.046 4.433 4.480 -0.002 0.000 0.265 228 M C 2.539 178.670 176.300 -0.281 0.000 1.066 228 M CA 1.532 56.445 55.300 -0.645 0.000 1.127 228 M CB -0.299 31.607 32.600 -1.157 0.000 1.379 228 M HN 0.171 nan 8.290 nan 0.000 0.420 229 A N 0.558 123.296 122.820 -0.136 0.000 1.933 229 A HA -0.033 4.286 4.320 -0.002 0.000 0.218 229 A C 2.355 179.960 177.584 0.034 0.000 1.175 229 A CA 1.874 53.983 52.037 0.118 0.000 0.628 229 A CB -0.844 18.263 19.000 0.179 0.000 0.814 229 A HN 0.489 nan 8.150 nan 0.000 0.444 230 A N -0.375 122.447 122.820 0.002 0.000 2.015 230 A HA 0.264 4.583 4.320 -0.002 0.000 0.219 230 A C 2.398 179.996 177.584 0.023 0.000 1.163 230 A CA 1.683 53.727 52.037 0.013 0.000 0.646 230 A CB -0.754 18.256 19.000 0.017 0.000 0.806 230 A HN 0.954 nan 8.150 nan 0.000 0.448 231 A N -0.403 122.436 122.820 0.032 0.000 1.898 231 A HA 0.018 4.337 4.320 -0.002 0.000 0.216 231 A C 2.091 179.689 177.584 0.023 0.000 1.181 231 A CA 1.381 53.458 52.037 0.066 0.000 0.620 231 A CB -0.464 18.629 19.000 0.155 0.000 0.819 231 A HN 0.450 nan 8.150 nan 0.000 0.442 232 L N -1.236 120.000 121.223 0.021 0.000 2.240 232 L HA -0.071 4.268 4.340 -0.002 0.000 0.211 232 L C 2.634 179.485 176.870 -0.032 0.000 1.106 232 L CA 0.816 55.660 54.840 0.007 0.000 0.793 232 L CB -0.200 41.913 42.059 0.091 0.000 0.927 232 L HN 0.335 nan 8.230 nan 0.000 0.446 233 R N 0.902 121.393 120.500 -0.014 0.000 2.080 233 R HA -0.203 4.136 4.340 -0.002 0.000 0.236 233 R C 1.945 178.217 176.300 -0.047 0.000 1.137 233 R CA 1.832 57.918 56.100 -0.023 0.000 0.943 233 R CB -0.442 29.854 30.300 -0.007 0.000 0.846 233 R HN 0.361 nan 8.270 nan 0.000 0.431 234 E N 0.444 120.619 120.200 -0.042 0.000 2.204 234 E HA -0.080 4.269 4.350 -0.002 0.000 0.195 234 E C 0.138 176.687 176.600 -0.085 0.000 0.990 234 E CA 0.935 57.306 56.400 -0.048 0.000 0.821 234 E CB -0.184 29.499 29.700 -0.029 0.000 0.750 234 E HN 0.414 nan 8.360 nan 0.000 0.477 235 S N 1.947 117.565 115.700 -0.137 0.000 2.488 235 S HA 0.107 4.576 4.470 -0.002 0.000 0.278 235 S C -2.180 172.298 174.600 -0.203 0.000 1.259 235 S CA -1.343 56.722 58.200 -0.224 0.000 1.061 235 S CB 0.833 63.774 63.200 -0.432 0.000 0.910 235 S HN -0.136 nan 8.310 nan 0.000 0.491 236 P HA 0.278 nan 4.420 nan 0.000 0.235 236 P C 0.443 177.662 177.300 -0.134 0.000 1.725 236 P CA -0.157 62.873 63.100 -0.116 0.000 0.894 236 P CB -0.200 31.458 31.700 -0.070 0.000 1.704 237 G N 0.178 108.848 108.800 -0.216 0.000 4.222 237 G HA2 0.429 4.388 3.960 -0.002 0.000 0.301 237 G HA3 0.429 4.388 3.960 -0.002 0.000 0.301 237 G C 0.205 174.995 174.900 -0.183 0.000 1.171 237 G CA -0.091 44.910 45.100 -0.164 0.000 0.937 237 G HN 0.339 nan 8.290 nan 0.000 0.557 238 A N 0.096 122.713 122.820 -0.339 0.000 2.611 238 A HA -0.052 4.267 4.320 -0.002 0.000 0.281 238 A C 1.635 178.904 177.584 -0.525 0.000 1.396 238 A CA 0.852 52.399 52.037 -0.818 0.000 0.724 238 A CB -1.904 16.171 19.000 -1.542 0.000 1.126 238 A HN 1.727 nan 8.150 nan 0.000 0.384 239 S N 0.895 116.450 115.700 -0.242 0.000 2.515 239 S HA 0.111 4.580 4.470 -0.002 0.000 0.231 239 S C 0.906 175.548 174.600 0.070 0.000 0.987 239 S CA 1.033 59.199 58.200 -0.056 0.000 0.936 239 S CB -0.962 62.225 63.200 -0.022 0.000 0.766 239 S HN 1.685 nan 8.310 nan 0.000 0.528 240 F N 2.629 122.631 119.950 0.088 0.000 2.805 240 F HA -0.220 4.306 4.527 -0.002 0.000 0.217 240 F C 0.623 176.474 175.800 0.086 0.000 1.035 240 F CA 0.347 58.394 58.000 0.078 0.000 0.835 240 F CB -1.440 37.620 39.000 0.100 0.000 0.687 240 F HN 0.285 nan 8.300 nan 0.000 0.844 241 R N -1.320 119.303 120.500 0.204 0.000 3.184 241 R HA -0.214 4.125 4.340 -0.002 0.000 0.242 241 R C 0.760 177.151 176.300 0.152 0.000 0.907 241 R CA 0.811 56.991 56.100 0.134 0.000 0.618 241 R CB -2.121 28.245 30.300 0.110 0.000 1.016 241 R HN 0.647 nan 8.270 nan 0.000 0.469 242 G N 0.541 109.419 108.800 0.129 0.000 4.178 242 G HA2 0.425 4.384 3.960 -0.002 0.000 0.287 242 G HA3 0.425 4.384 3.960 -0.002 0.000 0.287 242 G C 0.568 175.359 174.900 -0.181 0.000 1.293 242 G CA -0.488 44.620 45.100 0.014 0.000 1.393 242 G HN 0.295 nan 8.290 nan 0.000 0.623 243 I N 1.144 121.628 120.570 -0.143 0.000 3.712 243 I HA 0.221 4.390 4.170 -0.002 0.000 0.342 243 I C 0.799 176.845 176.117 -0.119 0.000 1.487 243 I CA -0.053 61.201 61.300 -0.077 0.000 1.179 243 I CB 0.614 38.604 38.000 -0.016 0.000 1.403 243 I HN 0.171 nan 8.210 nan 0.000 0.444 244 S N 0.606 116.103 115.700 -0.338 0.000 2.513 244 S HA 0.688 5.157 4.470 -0.002 0.000 0.299 244 S C 1.136 175.725 174.600 -0.019 0.000 1.087 244 S CA -0.265 57.812 58.200 -0.205 0.000 1.012 244 S CB 1.754 64.854 63.200 -0.167 0.000 1.044 244 S HN 0.315 nan 8.310 nan 0.000 0.485 245 A N 2.767 125.661 122.820 0.122 0.000 2.172 245 A HA 0.045 4.364 4.320 -0.002 0.000 0.216 245 A C 1.200 178.946 177.584 0.270 0.000 1.154 245 A CA 1.226 53.405 52.037 0.237 0.000 0.701 245 A CB -0.382 18.691 19.000 0.121 0.000 0.789 245 A HN 0.852 nan 8.150 nan 0.000 0.465 246 D N -1.137 119.392 120.400 0.215 0.000 2.350 246 D HA 0.017 4.656 4.640 -0.002 0.000 0.213 246 D C 0.839 177.238 176.300 0.165 0.000 1.031 246 D CA 0.390 54.505 54.000 0.192 0.000 0.861 246 D CB -0.346 40.554 40.800 0.168 0.000 0.926 246 D HN 0.711 nan 8.370 nan 0.000 0.520 247 H N -0.882 118.054 119.070 -0.223 0.000 2.547 247 H HA 0.121 4.676 4.556 -0.002 0.000 0.266 247 H C -0.187 174.746 175.328 -0.658 0.000 0.988 247 H CA 0.116 55.883 56.048 -0.469 0.000 1.147 247 H CB 0.171 29.557 29.762 -0.627 0.000 1.365 247 H HN 0.048 nan 8.280 nan 0.000 0.589 248 F N 0.395 120.446 119.950 0.168 0.000 2.588 248 F HA 0.317 4.843 4.527 -0.002 0.000 0.310 248 F C -0.083 175.771 175.800 0.089 0.000 1.082 248 F CA -1.065 57.008 58.000 0.122 0.000 0.929 248 F CB 2.329 41.367 39.000 0.063 0.000 1.254 248 F HN -0.101 nan 8.300 nan 0.000 0.455 249 E N 1.469 121.857 120.200 0.313 0.000 2.222 249 E HA 0.803 5.152 4.350 -0.002 0.000 0.267 249 E C -1.648 175.109 176.600 0.261 0.000 0.884 249 E CA -1.022 55.508 56.400 0.217 0.000 0.764 249 E CB 2.076 31.822 29.700 0.076 0.000 1.169 249 E HN 0.779 nan 8.360 nan 0.000 0.413 250 A N 4.394 127.300 122.820 0.144 0.000 2.375 250 A HA 0.411 4.730 4.320 -0.002 0.000 0.291 250 A C -1.166 176.499 177.584 0.136 0.000 1.160 250 A CA -0.778 51.304 52.037 0.075 0.000 0.747 250 A CB 0.697 19.644 19.000 -0.089 0.000 1.170 250 A HN 0.646 nan 8.150 nan 0.000 0.458 251 E N 1.580 121.883 120.200 0.171 0.000 2.238 251 E HA 0.625 4.974 4.350 -0.002 0.000 0.267 251 E C -0.957 175.760 176.600 0.194 0.000 0.887 251 E CA -1.038 55.468 56.400 0.176 0.000 0.769 251 E CB 1.995 31.776 29.700 0.134 0.000 1.187 251 E HN 0.196 nan 8.360 nan 0.000 0.416 252 V N 2.547 122.556 119.914 0.158 0.000 2.530 252 V HA 0.314 4.433 4.120 -0.002 0.000 0.282 252 V C 0.260 176.381 176.094 0.045 0.000 1.048 252 V CA -0.384 61.935 62.300 0.031 0.000 0.997 252 V CB 0.620 32.405 31.823 -0.064 0.000 0.987 252 V HN 0.619 nan 8.190 nan 0.000 0.477 253 V N 2.023 121.978 119.914 0.068 0.000 3.078 253 V HA 0.728 4.847 4.120 -0.002 0.000 0.311 253 V C -0.486 175.659 176.094 0.085 0.000 1.138 253 V CA -1.072 61.273 62.300 0.075 0.000 1.007 253 V CB 2.032 33.920 31.823 0.109 0.000 1.045 253 V HN 0.940 nan 8.190 nan 0.000 0.432 254 E N 2.406 122.631 120.200 0.042 0.000 2.266 254 E HA 0.830 5.179 4.350 -0.002 0.000 0.277 254 E C -0.475 176.131 176.600 0.010 0.000 1.018 254 E CA -0.830 55.596 56.400 0.043 0.000 0.840 254 E CB 2.076 31.772 29.700 -0.006 0.000 1.082 254 E HN 0.738 nan 8.360 nan 0.000 0.395 255 R N 0.526 121.051 120.500 0.042 0.000 2.789 255 R HA 0.367 4.706 4.340 -0.002 0.000 0.279 255 R C -1.577 174.678 176.300 -0.074 0.000 1.010 255 R CA -0.634 55.384 56.100 -0.137 0.000 0.855 255 R CB 2.214 32.288 30.300 -0.376 0.000 1.312 255 R HN 0.705 nan 8.270 nan 0.000 0.479 256 T N 0.052 114.485 114.554 -0.202 0.000 2.991 256 T HA 0.141 4.490 4.350 -0.002 0.000 0.303 256 T C -1.524 173.259 174.700 0.138 0.000 1.015 256 T CA -0.780 61.315 62.100 -0.008 0.000 1.007 256 T CB 1.595 70.427 68.868 -0.059 0.000 1.034 256 T HN 0.489 nan 8.240 nan 0.000 0.446 257 D N 2.702 123.225 120.400 0.205 0.000 2.581 257 D HA -0.047 4.592 4.640 -0.002 0.000 0.238 257 D C 1.809 178.334 176.300 0.375 0.000 1.145 257 D CA 0.120 54.342 54.000 0.370 0.000 0.866 257 D CB 1.030 42.104 40.800 0.455 0.000 1.151 257 D HN 0.385 nan 8.370 nan 0.000 0.500 258 V N 4.161 124.198 119.914 0.205 0.000 2.370 258 V HA -0.256 3.863 4.120 -0.002 0.000 0.252 258 V C 1.099 177.070 176.094 -0.205 0.000 1.068 258 V CA 1.081 63.218 62.300 -0.272 0.000 1.061 258 V CB -1.468 30.048 31.823 -0.511 0.000 0.656 258 V HN 0.451 nan 8.190 nan 0.000 0.455 259 Y N 0.921 121.136 120.300 -0.141 0.000 2.717 259 Y HA 0.377 4.926 4.550 -0.002 0.000 0.330 259 Y C 0.224 176.048 175.900 -0.128 0.000 1.217 259 Y CA 0.319 58.227 58.100 -0.320 0.000 1.506 259 Y CB -0.891 37.200 38.460 -0.616 0.000 1.268 259 Y HN 0.307 nan 8.280 nan 0.000 0.561 260 Y N 0.039 120.467 120.300 0.214 0.000 2.524 260 Y HA -0.364 4.185 4.550 -0.002 0.000 0.021 260 Y C 0.321 176.335 175.900 0.190 0.000 1.721 260 Y CA -0.184 58.019 58.100 0.172 0.000 1.407 260 Y CB -1.051 37.510 38.460 0.169 0.000 2.054 260 Y HN 0.662 nan 8.280 nan 0.000 0.256 261 Y N 1.310 121.739 120.300 0.213 0.000 2.263 261 Y HA -0.095 4.455 4.550 -0.001 0.000 0.292 261 Y C 1.641 177.625 175.900 0.139 0.000 1.130 261 Y CA 2.151 60.328 58.100 0.128 0.000 1.179 261 Y CB 0.031 38.516 38.460 0.041 0.000 0.998 261 Y HN 0.642 nan 8.280 nan 0.000 0.532 262 E N -0.416 119.810 120.200 0.043 0.000 2.047 262 E HA -0.051 4.298 4.350 -0.002 0.000 0.191 262 E C 0.781 177.368 176.600 -0.022 0.000 0.987 262 E CA 1.214 57.563 56.400 -0.085 0.000 0.799 262 E CB -0.934 28.764 29.700 -0.003 0.000 0.752 262 E HN 0.171 nan 8.360 nan 0.000 0.449 263 T N 3.602 118.228 114.554 0.121 0.000 2.765 263 T HA -0.056 4.293 4.350 -0.002 0.000 0.275 263 T C 0.255 175.014 174.700 0.098 0.000 1.007 263 T CA 0.313 62.505 62.100 0.154 0.000 1.175 263 T CB -0.141 68.889 68.868 0.270 0.000 0.993 263 T HN 0.174 nan 8.240 nan 0.000 0.510 264 R N 2.778 123.315 120.500 0.062 0.000 2.540 264 R HA 0.476 4.815 4.340 -0.002 0.000 0.287 264 R C -3.063 173.259 176.300 0.037 0.000 0.980 264 R CA -2.515 53.596 56.100 0.019 0.000 0.966 264 R CB -0.190 30.103 30.300 -0.011 0.000 1.106 264 R HN 0.254 nan 8.270 nan 0.000 0.480 265 P HA -0.036 nan 4.420 nan 0.000 0.260 265 P C -0.837 176.480 177.300 0.027 0.000 1.185 265 P CA 0.524 63.633 63.100 0.014 0.000 0.763 265 P CB 0.642 32.318 31.700 -0.039 0.000 0.776 266 A N 4.176 127.049 122.820 0.088 0.000 2.352 266 A HA 0.701 5.020 4.320 -0.002 0.000 0.299 266 A C -0.624 176.909 177.584 -0.086 0.000 1.160 266 A CA -0.745 51.244 52.037 -0.080 0.000 0.933 266 A CB 0.696 19.521 19.000 -0.291 0.000 1.387 266 A HN 0.471 nan 8.150 nan 0.000 0.487 267 L N 0.239 121.285 121.223 -0.296 0.000 2.307 267 L HA 0.574 4.913 4.340 -0.002 0.000 0.284 267 L C -1.438 175.148 176.870 -0.473 0.000 1.023 267 L CA -0.148 54.557 54.840 -0.224 0.000 0.810 267 L CB 1.186 43.111 42.059 -0.223 0.000 1.231 267 L HN 0.635 nan 8.230 nan 0.000 0.423 268 F N 0.829 120.674 119.950 -0.174 0.000 2.593 268 F HA 0.432 4.957 4.527 -0.002 0.000 0.320 268 F C -0.452 175.256 175.800 -0.154 0.000 1.060 268 F CA -0.796 57.120 58.000 -0.140 0.000 0.940 268 F CB 1.306 40.281 39.000 -0.041 0.000 1.268 268 F HN 0.158 nan 8.300 nan 0.000 0.475 269 Y N 1.436 121.862 120.300 0.210 0.000 2.365 269 Y HA 0.351 4.900 4.550 -0.002 0.000 0.340 269 Y C 0.515 176.397 175.900 -0.031 0.000 1.016 269 Y CA -0.505 57.635 58.100 0.067 0.000 1.196 269 Y CB 0.877 39.344 38.460 0.011 0.000 1.167 269 Y HN 0.344 nan 8.280 nan 0.000 0.509 270 R N 3.449 123.958 120.500 0.015 0.000 2.265 270 R HA 0.494 4.833 4.340 -0.002 0.000 0.314 270 R C -1.357 174.710 176.300 -0.388 0.000 1.053 270 R CA -0.488 55.345 56.100 -0.446 0.000 0.931 270 R CB 0.903 30.888 30.300 -0.526 0.000 1.024 270 R HN 0.564 nan 8.270 nan 0.000 0.457 271 V N 5.315 124.857 119.914 -0.620 0.000 2.483 271 V HA 0.434 4.553 4.120 -0.002 0.000 0.297 271 V C -1.576 174.335 176.094 -0.305 0.000 1.027 271 V CA -0.702 61.348 62.300 -0.416 0.000 0.855 271 V CB 1.247 32.781 31.823 -0.481 0.000 0.995 271 V HN 0.695 nan 8.190 nan 0.000 0.424 272 Y N 4.159 124.490 120.300 0.051 0.000 2.335 272 Y HA 0.794 5.344 4.550 -0.002 0.000 0.323 272 Y C 0.450 176.511 175.900 0.267 0.000 1.224 272 Y CA -0.435 57.770 58.100 0.175 0.000 1.241 272 Y CB 1.917 40.449 38.460 0.121 0.000 1.235 272 Y HN 0.588 nan 8.280 nan 0.000 0.492 273 V N 2.608 122.775 119.914 0.422 0.000 2.971 273 V HA 0.373 4.492 4.120 -0.002 0.000 0.309 273 V C 0.218 176.435 176.094 0.204 0.000 1.130 273 V CA -1.182 61.316 62.300 0.329 0.000 0.964 273 V CB 2.327 34.376 31.823 0.378 0.000 1.029 273 V HN 0.703 nan 8.190 nan 0.000 0.427 274 R N 1.324 121.887 120.500 0.105 0.000 2.280 274 R HA 0.230 4.569 4.340 -0.002 0.000 0.195 274 R C 0.527 176.864 176.300 0.061 0.000 0.935 274 R CA 0.735 56.871 56.100 0.061 0.000 1.033 274 R CB 0.461 30.757 30.300 -0.007 0.000 0.964 274 R HN 0.841 nan 8.270 nan 0.000 0.489 275 S N -2.821 112.930 115.700 0.085 0.000 2.535 275 S HA 0.389 4.858 4.470 -0.002 0.000 0.272 275 S C 0.849 175.489 174.600 0.067 0.000 1.149 275 S CA -0.305 57.934 58.200 0.065 0.000 0.888 275 S CB 1.599 64.847 63.200 0.079 0.000 1.110 275 S HN 0.045 nan 8.310 nan 0.000 0.463 276 G N 2.040 110.860 108.800 0.033 0.000 2.442 276 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.219 276 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.219 276 G C 1.266 176.148 174.900 -0.029 0.000 1.141 276 G CA 0.925 46.029 45.100 0.006 0.000 0.763 276 G HN 0.870 nan 8.290 nan 0.000 0.554 277 R N -0.104 120.382 120.500 -0.024 0.000 2.143 277 R HA -0.158 4.181 4.340 -0.002 0.000 0.239 277 R C 2.632 178.890 176.300 -0.070 0.000 1.126 277 R CA 2.257 58.308 56.100 -0.083 0.000 0.927 277 R CB -0.684 29.634 30.300 0.030 0.000 0.860 277 R HN 0.254 nan 8.270 nan 0.000 0.433 278 V N 1.359 121.319 119.914 0.077 0.000 2.233 278 V HA -0.287 3.831 4.120 -0.002 0.000 0.247 278 V C 2.417 178.594 176.094 0.140 0.000 1.050 278 V CA 1.959 64.363 62.300 0.174 0.000 1.010 278 V CB -0.726 31.231 31.823 0.223 0.000 0.637 278 V HN 0.424 nan 8.190 nan 0.000 0.444 279 L N 0.224 121.507 121.223 0.100 0.000 1.997 279 L HA -0.223 4.116 4.340 -0.002 0.000 0.216 279 L C 2.535 179.373 176.870 -0.054 0.000 1.074 279 L CA 2.535 57.397 54.840 0.036 0.000 0.763 279 L CB -0.918 41.160 42.059 0.032 0.000 0.890 279 L HN 0.307 nan 8.230 nan 0.000 0.434 280 S N -1.378 114.277 115.700 -0.076 0.000 2.369 280 S HA -0.276 4.193 4.470 -0.002 0.000 0.225 280 S C 1.822 176.398 174.600 -0.040 0.000 1.043 280 S CA 1.993 60.124 58.200 -0.114 0.000 1.074 280 S CB -0.741 62.336 63.200 -0.206 0.000 0.962 280 S HN 0.616 nan 8.310 nan 0.000 0.433 281 Y N 1.177 121.476 120.300 -0.001 0.000 2.081 281 Y HA -0.178 4.371 4.550 -0.002 0.000 0.280 281 Y C 2.289 178.197 175.900 0.012 0.000 1.163 281 Y CA 0.997 59.102 58.100 0.009 0.000 1.135 281 Y CB -0.341 38.133 38.460 0.023 0.000 0.970 281 Y HN 0.171 nan 8.280 nan 0.000 0.498 282 L N -1.504 119.822 121.223 0.172 0.000 2.191 282 L HA -0.293 4.046 4.340 -0.002 0.000 0.212 282 L C 2.494 179.382 176.870 0.030 0.000 1.103 282 L CA 0.664 55.571 54.840 0.113 0.000 0.769 282 L CB -0.648 41.443 42.059 0.053 0.000 0.908 282 L HN 0.417 nan 8.230 nan 0.000 0.438 283 C N 0.318 119.575 119.300 -0.072 0.000 2.413 283 C HA -0.191 4.268 4.460 -0.002 0.000 0.278 283 C C 2.316 177.304 174.990 -0.002 0.000 1.224 283 C CA 1.137 60.099 59.018 -0.094 0.000 1.732 283 C CB -0.702 26.974 27.740 -0.107 0.000 2.050 283 C HN 0.579 nan 8.230 nan 0.000 0.463 284 D N 0.134 120.555 120.400 0.034 0.000 2.347 284 D HA -0.018 4.621 4.640 -0.002 0.000 0.215 284 D C 1.366 177.700 176.300 0.057 0.000 0.976 284 D CA 0.828 54.855 54.000 0.046 0.000 0.884 284 D CB -0.384 40.457 40.800 0.069 0.000 0.915 284 D HN 0.611 nan 8.370 nan 0.000 0.526 285 N N -0.725 118.028 118.700 0.088 0.000 2.428 285 N HA -0.019 4.720 4.740 -0.002 0.000 0.249 285 N C 1.127 176.705 175.510 0.114 0.000 1.092 285 N CA -0.216 52.886 53.050 0.086 0.000 0.833 285 N CB -0.320 38.220 38.487 0.088 0.000 1.575 285 N HN 0.010 nan 8.380 nan 0.000 0.476 286 F N 1.976 121.937 119.950 0.019 0.000 2.502 286 F HA 0.127 4.653 4.527 -0.002 0.000 0.298 286 F C 1.134 176.960 175.800 0.044 0.000 1.111 286 F CA 0.391 58.408 58.000 0.029 0.000 1.445 286 F CB 0.126 39.154 39.000 0.047 0.000 1.081 286 F HN -0.044 nan 8.300 nan 0.000 0.558 287 C N 3.116 122.410 119.300 -0.009 0.000 2.353 287 C HA 0.176 4.635 4.460 -0.002 0.000 0.338 287 C C -0.655 174.283 174.990 -0.087 0.000 1.343 287 C CA -1.055 57.937 59.018 -0.043 0.000 1.760 287 C CB -1.396 26.384 27.740 0.068 0.000 2.111 287 C HN 0.299 nan 8.230 nan 0.000 0.576 288 P HA -0.235 nan 4.420 nan 0.000 0.214 288 P C 1.403 178.652 177.300 -0.084 0.000 1.164 288 P CA 2.808 65.847 63.100 -0.101 0.000 0.942 288 P CB 0.094 31.717 31.700 -0.129 0.000 0.791 289 A N -1.798 120.956 122.820 -0.110 0.000 2.147 289 A HA 0.137 4.456 4.320 -0.002 0.000 0.211 289 A C 1.206 178.767 177.584 -0.038 0.000 1.160 289 A CA 0.050 52.036 52.037 -0.085 0.000 0.781 289 A CB -0.912 18.006 19.000 -0.135 0.000 0.842 289 A HN 0.138 nan 8.150 nan 0.000 0.475 290 I N 0.874 121.423 120.570 -0.034 0.000 2.588 290 I HA 0.151 4.320 4.170 -0.002 0.000 0.283 290 I C 0.193 176.377 176.117 0.111 0.000 1.119 290 I CA 0.111 61.439 61.300 0.048 0.000 1.419 290 I CB 0.624 38.651 38.000 0.045 0.000 1.394 290 I HN 0.018 nan 8.210 nan 0.000 0.562 291 K N 5.233 125.748 120.400 0.191 0.000 2.174 291 K HA 0.454 4.773 4.320 -0.002 0.000 0.275 291 K C -0.305 176.525 176.600 0.382 0.000 1.015 291 K CA -0.736 55.679 56.287 0.214 0.000 0.933 291 K CB 0.978 33.620 32.500 0.237 0.000 1.025 291 K HN 0.436 nan 8.250 nan 0.000 0.463 292 K N 2.869 123.413 120.400 0.240 0.000 2.378 292 K HA 0.321 4.640 4.320 -0.002 0.000 0.252 292 K C -1.578 175.180 176.600 0.263 0.000 0.931 292 K CA -0.694 55.826 56.287 0.389 0.000 0.794 292 K CB 1.035 33.660 32.500 0.208 0.000 1.181 292 K HN 0.519 nan 8.250 nan 0.000 0.425 293 Y N 1.710 122.218 120.300 0.347 0.000 2.361 293 Y HA 0.152 4.701 4.550 -0.002 0.000 0.337 293 Y C 0.168 176.281 175.900 0.355 0.000 0.965 293 Y CA -0.558 57.704 58.100 0.270 0.000 1.091 293 Y CB 2.016 40.577 38.460 0.169 0.000 1.182 293 Y HN 0.841 nan 8.280 nan 0.000 0.450 294 E N 0.543 120.958 120.200 0.359 0.000 3.286 294 E HA -0.238 4.111 4.350 -0.002 0.000 0.292 294 E C 1.455 178.191 176.600 0.227 0.000 0.928 294 E CA 0.503 57.088 56.400 0.309 0.000 0.982 294 E CB -1.065 28.843 29.700 0.348 0.000 1.500 294 E HN 1.105 nan 8.360 nan 0.000 0.441 295 G N 0.297 109.204 108.800 0.178 0.000 2.448 295 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.219 295 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.219 295 G C 1.285 176.180 174.900 -0.009 0.000 1.127 295 G CA 0.755 45.870 45.100 0.026 0.000 0.766 295 G HN 0.401 nan 8.290 nan 0.000 0.552 296 G N -0.304 108.496 108.800 -0.000 0.000 2.848 296 G HA2 0.246 4.205 3.960 -0.002 0.000 0.208 296 G HA3 0.246 4.205 3.960 -0.002 0.000 0.208 296 G C 0.215 175.086 174.900 -0.048 0.000 1.152 296 G CA -0.025 45.040 45.100 -0.058 0.000 0.789 296 G HN 0.267 nan 8.290 nan 0.000 0.531 297 V N 2.453 122.381 119.914 0.023 0.000 2.368 297 V HA 0.216 4.335 4.120 -0.002 0.000 0.266 297 V C 0.008 176.105 176.094 0.006 0.000 1.045 297 V CA -1.172 61.159 62.300 0.051 0.000 0.899 297 V CB 0.791 32.660 31.823 0.076 0.000 1.006 297 V HN 0.464 nan 8.190 nan 0.000 0.470 298 D N 4.589 124.997 120.400 0.014 0.000 2.358 298 D HA 0.365 5.004 4.640 -0.002 0.000 0.244 298 D C 1.153 177.476 176.300 0.038 0.000 1.163 298 D CA 0.072 54.080 54.000 0.013 0.000 0.945 298 D CB 1.382 42.185 40.800 0.004 0.000 1.152 298 D HN 0.414 nan 8.370 nan 0.000 0.451 299 A N 0.676 123.522 122.820 0.042 0.000 1.930 299 A HA -0.121 4.198 4.320 -0.002 0.000 0.217 299 A C 2.087 179.747 177.584 0.127 0.000 1.175 299 A CA 1.743 53.825 52.037 0.076 0.000 0.627 299 A CB -1.202 17.828 19.000 0.049 0.000 0.815 299 A HN 0.687 nan 8.150 nan 0.000 0.443 300 T N -0.747 113.866 114.554 0.097 0.000 2.759 300 T HA -0.151 4.198 4.350 -0.002 0.000 0.269 300 T C 2.071 176.922 174.700 0.253 0.000 1.042 300 T CA 2.015 64.212 62.100 0.161 0.000 1.140 300 T CB -0.495 68.430 68.868 0.094 0.000 0.864 300 T HN 0.648 nan 8.240 nan 0.000 0.455 301 T N 1.399 116.053 114.554 0.168 0.000 2.942 301 T HA -0.051 4.298 4.350 -0.002 0.000 0.265 301 T C 2.095 176.886 174.700 0.151 0.000 1.062 301 T CA 0.538 62.734 62.100 0.161 0.000 1.139 301 T CB -0.121 68.832 68.868 0.142 0.000 0.883 301 T HN 0.070 nan 8.240 nan 0.000 0.468 302 R N 0.476 121.062 120.500 0.142 0.000 2.075 302 R HA 0.059 4.398 4.340 -0.002 0.000 0.232 302 R C 2.076 178.505 176.300 0.215 0.000 1.126 302 R CA 1.131 57.324 56.100 0.155 0.000 0.963 302 R CB -1.562 28.820 30.300 0.137 0.000 0.858 302 R HN 0.598 nan 8.270 nan 0.000 0.435 303 F N 1.077 121.099 119.950 0.121 0.000 2.171 303 F HA -0.164 4.362 4.527 -0.002 0.000 0.300 303 F C 1.914 177.812 175.800 0.165 0.000 1.090 303 F CA 1.239 59.325 58.000 0.143 0.000 1.293 303 F CB -0.186 38.899 39.000 0.141 0.000 1.013 303 F HN -0.137 nan 8.300 nan 0.000 0.486 304 I N 0.231 120.833 120.570 0.053 0.000 2.235 304 I HA -0.239 3.930 4.170 -0.002 0.000 0.241 304 I C 2.292 178.370 176.117 -0.064 0.000 1.085 304 I CA 1.015 62.294 61.300 -0.035 0.000 1.378 304 I CB -0.534 37.559 38.000 0.156 0.000 1.076 304 I HN 0.125 nan 8.210 nan 0.000 0.415 305 L N 0.118 121.350 121.223 0.014 0.000 2.131 305 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 305 L C 1.519 178.376 176.870 -0.023 0.000 1.092 305 L CA 1.219 56.068 54.840 0.014 0.000 0.759 305 L CB -0.787 41.309 42.059 0.060 0.000 0.903 305 L HN 0.296 nan 8.230 nan 0.000 0.435 306 D N -0.634 119.751 120.400 -0.025 0.000 2.347 306 D HA -0.018 4.621 4.640 -0.002 0.000 0.213 306 D C 0.456 176.628 176.300 -0.212 0.000 0.985 306 D CA 0.512 54.490 54.000 -0.037 0.000 0.879 306 D CB -0.029 40.819 40.800 0.080 0.000 0.919 306 D HN 0.249 nan 8.370 nan 0.000 0.526 307 N N 2.666 121.101 118.700 -0.441 0.000 2.699 307 N HA 0.170 4.909 4.740 -0.002 0.000 0.232 307 N C -2.607 172.514 175.510 -0.648 0.000 1.027 307 N CA -1.152 51.370 53.050 -0.879 0.000 0.920 307 N CB 1.528 38.790 38.487 -2.042 0.000 1.148 307 N HN 0.037 nan 8.380 nan 0.000 0.509 308 P HA -0.032 nan 4.420 nan 0.000 0.264 308 P C 1.050 178.333 177.300 -0.028 0.000 1.183 308 P CA 0.930 63.954 63.100 -0.127 0.000 0.763 308 P CB 0.713 32.366 31.700 -0.079 0.000 0.807 309 G N 2.529 111.356 108.800 0.044 0.000 2.417 309 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.233 309 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.233 309 G C 0.168 175.186 174.900 0.196 0.000 1.103 309 G CA -0.296 44.869 45.100 0.109 0.000 0.647 309 G HN 0.401 nan 8.290 nan 0.000 0.512 310 F N 1.634 121.550 119.950 -0.058 0.000 2.646 310 F HA 0.401 4.927 4.527 -0.002 0.000 0.363 310 F C 1.292 177.109 175.800 0.029 0.000 1.143 310 F CA -0.040 57.946 58.000 -0.023 0.000 1.356 310 F CB 0.485 39.418 39.000 -0.111 0.000 1.055 310 F HN 0.667 nan 8.300 nan 0.000 0.606 311 V N -0.867 119.197 119.914 0.250 0.000 3.158 311 V HA 0.619 4.738 4.120 -0.002 0.000 0.311 311 V C 0.270 176.550 176.094 0.311 0.000 1.181 311 V CA -0.211 62.223 62.300 0.222 0.000 1.054 311 V CB 1.409 33.308 31.823 0.127 0.000 1.085 311 V HN 0.773 nan 8.190 nan 0.000 0.446 312 T N -2.702 112.009 114.554 0.261 0.000 3.065 312 T HA 0.348 4.697 4.350 -0.002 0.000 0.252 312 T C -0.033 174.824 174.700 0.262 0.000 1.099 312 T CA 0.760 63.006 62.100 0.243 0.000 1.063 312 T CB -0.305 68.686 68.868 0.205 0.000 0.948 312 T HN 0.864 nan 8.240 nan 0.000 0.506 313 F N 0.771 120.781 119.950 0.099 0.000 2.941 313 F HA 0.604 5.130 4.527 -0.002 0.000 0.359 313 F C -0.168 175.636 175.800 0.007 0.000 1.231 313 F CA -0.258 57.787 58.000 0.075 0.000 1.089 313 F CB 1.033 40.132 39.000 0.165 0.000 1.407 313 F HN 0.349 nan 8.300 nan 0.000 0.538 314 G N 3.153 111.702 108.800 -0.419 0.000 2.342 314 G HA2 0.254 4.213 3.960 -0.002 0.000 0.297 314 G HA3 0.254 4.213 3.960 -0.002 0.000 0.297 314 G C -2.331 172.200 174.900 -0.615 0.000 1.313 314 G CA -0.903 44.017 45.100 -0.300 0.000 0.830 314 G HN 0.478 nan 8.290 nan 0.000 0.506 315 W N -0.606 120.535 121.300 -0.264 0.000 2.449 315 W HA 0.764 5.423 4.660 -0.002 0.000 0.331 315 W C -0.518 175.740 176.519 -0.436 0.000 1.119 315 W CA -0.209 56.992 57.345 -0.240 0.000 1.240 315 W CB 1.493 30.906 29.460 -0.079 0.000 1.251 315 W HN 0.504 nan 8.180 nan 0.000 0.576 316 Y N 0.425 120.544 120.300 -0.301 0.000 2.638 316 Y HA 0.553 5.102 4.550 -0.002 0.000 0.339 316 Y C -0.241 175.393 175.900 -0.443 0.000 1.084 316 Y CA -1.581 56.211 58.100 -0.514 0.000 1.068 316 Y CB 2.228 40.139 38.460 -0.915 0.000 1.294 316 Y HN 0.360 nan 8.280 nan 0.000 0.480 317 R N 2.250 122.713 120.500 -0.062 0.000 2.604 317 R HA 0.618 4.957 4.340 -0.002 0.000 0.281 317 R C -1.879 174.498 176.300 0.128 0.000 1.020 317 R CA -0.875 55.238 56.100 0.021 0.000 0.899 317 R CB 1.316 31.631 30.300 0.024 0.000 1.205 317 R HN 0.631 nan 8.270 nan 0.000 0.450 318 L N 0.974 122.315 121.223 0.196 0.000 2.371 318 L HA 0.594 4.933 4.340 -0.002 0.000 0.272 318 L C -0.820 176.112 176.870 0.103 0.000 1.124 318 L CA -0.602 54.328 54.840 0.149 0.000 0.816 318 L CB 0.202 42.310 42.059 0.082 0.000 1.129 318 L HN 0.859 nan 8.230 nan 0.000 0.448 319 K N 1.642 122.107 120.400 0.109 0.000 2.533 319 K HA 0.804 5.123 4.320 -0.002 0.000 0.284 319 K C -3.085 173.574 176.600 0.099 0.000 1.025 319 K CA -1.793 54.550 56.287 0.094 0.000 0.900 319 K CB 0.305 32.857 32.500 0.087 0.000 1.519 319 K HN 0.273 nan 8.250 nan 0.000 0.432 320 P HA 0.341 nan 4.420 nan 0.000 0.272 320 P C -0.444 176.908 177.300 0.086 0.000 1.240 320 P CA -0.335 62.813 63.100 0.081 0.000 0.791 320 P CB 0.721 32.458 31.700 0.062 0.000 0.978 321 G N -0.723 108.125 108.800 0.080 0.000 2.766 321 G HA2 0.288 4.247 3.960 -0.002 0.000 0.288 321 G HA3 0.288 4.247 3.960 -0.002 0.000 0.288 321 G C 0.404 175.337 174.900 0.054 0.000 1.408 321 G CA -0.693 44.455 45.100 0.079 0.000 0.852 321 G HN 0.287 nan 8.290 nan 0.000 0.487 322 R N -0.543 119.987 120.500 0.050 0.000 2.459 322 R HA -0.241 4.098 4.340 -0.002 0.000 0.216 322 R C 0.145 176.457 176.300 0.019 0.000 0.939 322 R CA 2.263 58.382 56.100 0.031 0.000 0.742 322 R CB -0.430 29.884 30.300 0.024 0.000 0.901 322 R HN 0.536 nan 8.270 nan 0.000 0.382 323 N N 1.074 119.781 118.700 0.012 0.000 2.735 323 N HA 0.080 4.819 4.740 -0.002 0.000 0.312 323 N C -0.839 174.673 175.510 0.003 0.000 1.843 323 N CA -0.181 52.870 53.050 0.002 0.000 0.945 323 N CB 0.641 39.122 38.487 -0.011 0.000 1.299 323 N HN 0.171 nan 8.380 nan 0.000 0.489 324 N N 0.283 118.993 118.700 0.017 0.000 2.698 324 N HA -0.188 4.551 4.740 -0.002 0.000 0.258 324 N C -0.511 175.015 175.510 0.027 0.000 0.978 324 N CA 0.921 53.986 53.050 0.026 0.000 0.777 324 N CB -0.657 37.844 38.487 0.022 0.000 0.907 324 N HN 0.279 nan 8.380 nan 0.000 0.543 325 T N 0.424 114.997 114.554 0.031 0.000 2.919 325 T HA 0.450 4.799 4.350 -0.002 0.000 0.302 325 T C 0.262 175.013 174.700 0.085 0.000 1.031 325 T CA -0.158 61.962 62.100 0.034 0.000 1.127 325 T CB 0.398 69.279 68.868 0.021 0.000 0.952 325 T HN 0.155 nan 8.240 nan 0.000 0.540 326 L N 2.996 124.288 121.223 0.114 0.000 2.346 326 L HA 0.654 4.993 4.340 -0.002 0.000 0.274 326 L C 0.563 177.591 176.870 0.264 0.000 1.007 326 L CA -1.425 53.514 54.840 0.164 0.000 0.818 326 L CB 1.581 43.727 42.059 0.145 0.000 1.284 326 L HN 0.672 nan 8.230 nan 0.000 0.424 327 A N 2.358 125.328 122.820 0.250 0.000 2.565 327 A HA 0.066 4.385 4.320 -0.002 0.000 0.237 327 A C -0.108 177.678 177.584 0.335 0.000 1.053 327 A CA 0.324 52.533 52.037 0.286 0.000 0.755 327 A CB 0.119 19.228 19.000 0.182 0.000 0.980 327 A HN 0.758 nan 8.150 nan 0.000 0.506 328 Q N 3.383 123.348 119.800 0.275 0.000 2.325 328 Q HA 0.443 4.782 4.340 -0.002 0.000 0.262 328 Q C -2.655 173.292 176.000 -0.088 0.000 0.968 328 Q CA -2.257 53.625 55.803 0.132 0.000 0.877 328 Q CB 1.544 30.310 28.738 0.047 0.000 1.253 328 Q HN 0.487 nan 8.270 nan 0.000 0.448 329 P HA 0.104 nan 4.420 nan 0.000 0.271 329 P C -0.907 176.193 177.300 -0.332 0.000 1.216 329 P CA 0.069 62.800 63.100 -0.615 0.000 0.776 329 P CB 0.672 32.078 31.700 -0.490 0.000 0.881 330 R N 1.600 121.920 120.500 -0.299 0.000 2.490 330 R HA 0.516 4.855 4.340 -0.002 0.000 0.278 330 R C 0.291 176.704 176.300 0.188 0.000 1.069 330 R CA -0.601 55.508 56.100 0.015 0.000 1.080 330 R CB 0.891 31.239 30.300 0.080 0.000 1.030 330 R HN 0.520 nan 8.270 nan 0.000 0.491 331 A N 4.500 127.407 122.820 0.145 0.000 2.477 331 A HA 0.193 4.512 4.320 -0.002 0.000 0.246 331 A C -1.559 176.004 177.584 -0.034 0.000 1.078 331 A CA -1.271 50.789 52.037 0.038 0.000 0.770 331 A CB 0.169 19.172 19.000 0.005 0.000 1.011 331 A HN 0.501 nan 8.150 nan 0.000 0.494 332 P HA -0.207 nan 4.420 nan 0.000 0.218 332 P C 1.289 178.311 177.300 -0.463 0.000 1.150 332 P CA 1.427 63.959 63.100 -0.947 0.000 0.841 332 P CB -0.000 31.352 31.700 -0.580 0.000 0.784 333 M N -2.137 117.347 119.600 -0.193 0.000 2.619 333 M HA 0.077 4.556 4.480 -0.002 0.000 0.251 333 M C 1.414 177.725 176.300 0.018 0.000 1.106 333 M CA 0.618 55.870 55.300 -0.080 0.000 1.086 333 M CB -1.193 31.355 32.600 -0.087 0.000 1.465 333 M HN -0.108 nan 8.290 nan 0.000 0.506 334 A N -1.064 121.818 122.820 0.103 0.000 2.538 334 A HA 0.299 4.618 4.320 -0.002 0.000 0.269 334 A C 0.064 177.856 177.584 0.347 0.000 1.231 334 A CA -0.486 51.655 52.037 0.174 0.000 0.948 334 A CB -0.039 19.052 19.000 0.152 0.000 1.110 334 A HN 0.142 nan 8.150 nan 0.000 0.529 335 F N 0.127 120.133 119.950 0.092 0.000 2.572 335 F HA 0.364 4.890 4.527 -0.002 0.000 0.370 335 F C 1.585 177.443 175.800 0.098 0.000 1.103 335 F CA 0.472 58.537 58.000 0.108 0.000 1.286 335 F CB 0.818 39.894 39.000 0.126 0.000 1.105 335 F HN 0.109 nan 8.300 nan 0.000 0.583 336 G N 0.823 109.755 108.800 0.221 0.000 3.020 336 G HA2 0.202 4.161 3.960 -0.002 0.000 0.217 336 G HA3 0.202 4.161 3.960 -0.002 0.000 0.217 336 G C 0.282 175.231 174.900 0.081 0.000 1.144 336 G CA 0.586 45.754 45.100 0.113 0.000 0.760 336 G HN 0.715 nan 8.290 nan 0.000 0.548 337 T N -2.313 112.311 114.554 0.116 0.000 2.864 337 T HA 0.527 4.876 4.350 -0.002 0.000 0.289 337 T C -0.149 174.638 174.700 0.145 0.000 1.082 337 T CA -0.251 61.891 62.100 0.069 0.000 1.009 337 T CB 1.683 70.561 68.868 0.017 0.000 1.234 337 T HN 0.138 nan 8.240 nan 0.000 0.526 338 S N 1.178 116.946 115.700 0.114 0.000 3.170 338 S HA 0.610 5.079 4.470 -0.002 0.000 0.257 338 S C -0.140 174.562 174.600 0.170 0.000 1.284 338 S CA -0.764 57.543 58.200 0.178 0.000 0.973 338 S CB -0.835 62.434 63.200 0.114 0.000 1.330 338 S HN 0.804 nan 8.310 nan 0.000 0.493 339 S N 1.416 117.245 115.700 0.215 0.000 2.667 339 S HA 0.478 4.947 4.470 -0.002 0.000 0.292 339 S C 0.007 174.801 174.600 0.323 0.000 1.126 339 S CA -1.023 57.282 58.200 0.174 0.000 0.881 339 S CB 1.274 64.486 63.200 0.019 0.000 1.132 339 S HN 0.467 nan 8.310 nan 0.000 0.492 340 D N 0.392 120.978 120.400 0.311 0.000 2.240 340 D HA 0.085 4.724 4.640 -0.002 0.000 0.206 340 D C 0.755 177.380 176.300 0.541 0.000 0.963 340 D CA 1.136 55.410 54.000 0.456 0.000 0.863 340 D CB 0.218 41.281 40.800 0.438 0.000 0.973 340 D HN 0.439 nan 8.370 nan 0.000 0.501 341 V N -1.641 118.414 119.914 0.234 0.000 2.789 341 V HA 0.644 4.763 4.120 -0.002 0.000 0.311 341 V C -0.884 174.966 176.094 -0.406 0.000 1.073 341 V CA -0.872 61.445 62.300 0.029 0.000 0.921 341 V CB 2.937 34.833 31.823 0.122 0.000 1.009 341 V HN -0.167 nan 8.190 nan 0.000 0.426 342 E N 2.283 121.995 120.200 -0.813 0.000 2.367 342 E HA 0.759 5.108 4.350 -0.002 0.000 0.273 342 E C -2.040 174.175 176.600 -0.642 0.000 0.903 342 E CA -0.506 55.501 56.400 -0.655 0.000 0.764 342 E CB 2.996 32.128 29.700 -0.948 0.000 1.252 342 E HN 0.670 nan 8.360 nan 0.000 0.446 343 F N 0.728 120.523 119.950 -0.258 0.000 2.591 343 F HA 0.340 4.866 4.527 -0.002 0.000 0.309 343 F C -0.099 175.542 175.800 -0.266 0.000 1.098 343 F CA -1.028 56.826 58.000 -0.244 0.000 0.937 343 F CB 1.633 40.486 39.000 -0.244 0.000 1.250 343 F HN 0.189 nan 8.300 nan 0.000 0.447 344 N N 1.721 120.229 118.700 -0.320 0.000 2.473 344 N HA 0.686 5.425 4.740 -0.002 0.000 0.291 344 N C -0.730 174.449 175.510 -0.551 0.000 1.083 344 N CA -0.207 52.433 53.050 -0.683 0.000 0.951 344 N CB 1.821 39.198 38.487 -1.850 0.000 1.164 344 N HN 0.852 nan 8.380 nan 0.000 0.480 345 C N -1.196 117.974 119.300 -0.217 0.000 3.284 345 C HA 0.765 5.224 4.460 -0.002 0.000 0.348 345 C C -0.234 174.983 174.990 0.378 0.000 1.448 345 C CA -0.897 58.240 59.018 0.198 0.000 1.223 345 C CB 1.114 28.953 27.740 0.166 0.000 1.588 345 C HN 0.742 nan 8.230 nan 0.000 0.451 346 T N -1.250 113.539 114.554 0.390 0.000 2.932 346 T HA 0.692 5.041 4.350 -0.002 0.000 0.289 346 T C 1.147 176.035 174.700 0.313 0.000 1.039 346 T CA 0.127 62.429 62.100 0.337 0.000 1.024 346 T CB 1.478 70.521 68.868 0.291 0.000 1.090 346 T HN 2.176 nan 8.240 nan 0.000 0.496 347 A N 1.565 124.600 122.820 0.359 0.000 2.009 347 A HA -0.211 4.108 4.320 -0.002 0.000 0.222 347 A C 1.906 179.727 177.584 0.394 0.000 1.175 347 A CA 2.217 54.533 52.037 0.466 0.000 0.651 347 A CB -1.121 18.123 19.000 0.406 0.000 0.815 347 A HN 0.991 nan 8.150 nan 0.000 0.459 348 D N -0.634 119.926 120.400 0.266 0.000 2.371 348 D HA -0.087 4.552 4.640 -0.002 0.000 0.221 348 D C 0.906 177.328 176.300 0.204 0.000 0.986 348 D CA 0.684 54.811 54.000 0.211 0.000 0.899 348 D CB -0.696 40.189 40.800 0.142 0.000 0.902 348 D HN 0.441 nan 8.370 nan 0.000 0.530 349 N N -0.062 118.772 118.700 0.224 0.000 2.336 349 N HA 0.124 4.863 4.740 -0.002 0.000 0.189 349 N C 0.105 175.732 175.510 0.195 0.000 1.113 349 N CA 0.097 53.263 53.050 0.193 0.000 0.858 349 N CB 1.123 39.730 38.487 0.199 0.000 0.970 349 N HN 0.287 nan 8.380 nan 0.000 0.471 350 L N 0.427 121.796 121.223 0.244 0.000 2.334 350 L HA 0.715 5.054 4.340 -0.002 0.000 0.273 350 L C -0.381 176.631 176.870 0.236 0.000 1.013 350 L CA -0.839 54.132 54.840 0.219 0.000 0.816 350 L CB 2.054 44.206 42.059 0.155 0.000 1.278 350 L HN -0.166 nan 8.230 nan 0.000 0.431 351 A N 3.036 125.952 122.820 0.159 0.000 2.455 351 A HA 0.601 4.920 4.320 -0.002 0.000 0.300 351 A C -0.713 176.826 177.584 -0.076 0.000 1.040 351 A CA -0.572 51.526 52.037 0.102 0.000 0.697 351 A CB 1.302 20.356 19.000 0.091 0.000 1.265 351 A HN 0.510 nan 8.150 nan 0.000 0.407 352 I N 1.467 121.923 120.570 -0.190 0.000 2.710 352 I HA 0.025 4.194 4.170 -0.002 0.000 0.286 352 I C 0.524 176.522 176.117 -0.199 0.000 1.181 352 I CA 0.753 61.825 61.300 -0.381 0.000 1.430 352 I CB 0.973 38.830 38.000 -0.239 0.000 1.367 352 I HN 0.859 nan 8.210 nan 0.000 0.577 353 E N 5.538 125.615 120.200 -0.206 0.000 2.731 353 E HA 0.368 4.717 4.350 -0.002 0.000 0.220 353 E C 0.068 176.624 176.600 -0.074 0.000 1.087 353 E CA -0.442 55.896 56.400 -0.103 0.000 1.020 353 E CB 0.343 29.996 29.700 -0.079 0.000 1.339 353 E HN 0.668 nan 8.360 nan 0.000 0.444 354 G N 0.476 109.239 108.800 -0.062 0.000 2.539 354 G HA2 0.476 4.435 3.960 -0.002 0.000 0.258 354 G HA3 0.476 4.435 3.960 -0.002 0.000 0.258 354 G C 0.869 175.747 174.900 -0.036 0.000 1.202 354 G CA -0.003 45.079 45.100 -0.030 0.000 0.851 354 G HN 0.813 nan 8.290 nan 0.000 0.556 355 G N 0.766 109.555 108.800 -0.020 0.000 4.365 355 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.214 355 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.214 355 G C 0.895 175.759 174.900 -0.060 0.000 1.450 355 G CA 0.651 45.731 45.100 -0.033 0.000 0.937 355 G HN 1.253 nan 8.290 nan 0.000 0.625 356 M N 2.035 121.558 119.600 -0.129 0.000 2.327 356 M HA 0.509 4.988 4.480 -0.002 0.000 0.353 356 M C 1.130 177.329 176.300 -0.168 0.000 1.539 356 M CA 1.723 56.862 55.300 -0.267 0.000 1.039 356 M CB 0.840 33.157 32.600 -0.470 0.000 1.967 356 M HN 0.551 nan 8.290 nan 0.000 0.459 357 S N 2.176 117.827 115.700 -0.082 0.000 2.658 357 S HA 0.143 4.612 4.470 -0.002 0.000 0.277 357 S C -0.216 174.605 174.600 0.369 0.000 1.078 357 S CA -0.404 57.924 58.200 0.214 0.000 1.124 357 S CB 0.397 63.682 63.200 0.142 0.000 1.016 357 S HN 0.844 nan 8.310 nan 0.000 0.543 358 D N 2.148 122.681 120.400 0.221 0.000 2.472 358 D HA 0.120 4.759 4.640 -0.002 0.000 0.237 358 D C -0.211 176.344 176.300 0.425 0.000 1.141 358 D CA 0.141 54.294 54.000 0.254 0.000 0.875 358 D CB 0.579 41.452 40.800 0.122 0.000 1.192 358 D HN 0.214 nan 8.370 nan 0.000 0.450 359 L N 4.981 126.361 121.223 0.260 0.000 2.455 359 L HA 0.144 4.483 4.340 -0.002 0.000 0.272 359 L C -1.727 175.194 176.870 0.085 0.000 1.174 359 L CA -0.661 54.258 54.840 0.132 0.000 0.869 359 L CB 0.348 42.502 42.059 0.158 0.000 1.130 359 L HN 0.267 nan 8.230 nan 0.000 0.474 360 P HA 0.127 nan 4.420 nan 0.000 0.279 360 P C -1.013 176.157 177.300 -0.217 0.000 1.282 360 P CA -0.661 62.354 63.100 -0.141 0.000 0.788 360 P CB 0.596 32.053 31.700 -0.405 0.000 1.139 361 A N 0.450 123.183 122.820 -0.145 0.000 2.900 361 A HA 0.087 4.406 4.320 -0.002 0.000 0.246 361 A C 0.142 177.697 177.584 -0.049 0.000 1.725 361 A CA -0.151 51.850 52.037 -0.060 0.000 1.400 361 A CB -2.104 16.887 19.000 -0.015 0.000 0.973 361 A HN 0.397 nan 8.150 nan 0.000 0.635 362 Y N 0.753 121.067 120.300 0.024 0.000 2.357 362 Y HA 0.221 4.770 4.550 -0.002 0.000 0.340 362 Y C 0.858 176.798 175.900 0.066 0.000 1.260 362 Y CA -0.083 58.035 58.100 0.030 0.000 1.425 362 Y CB 0.777 39.277 38.460 0.067 0.000 1.326 362 Y HN 0.229 nan 8.280 nan 0.000 0.580 363 K N 2.210 122.786 120.400 0.292 0.000 2.156 363 K HA 0.479 4.798 4.320 -0.002 0.000 0.250 363 K C -1.436 175.347 176.600 0.306 0.000 0.955 363 K CA -1.037 55.420 56.287 0.283 0.000 0.855 363 K CB 1.998 34.657 32.500 0.264 0.000 1.101 363 K HN 0.440 nan 8.250 nan 0.000 0.434 364 L N 2.434 123.834 121.223 0.295 0.000 2.325 364 L HA 0.488 4.827 4.340 -0.002 0.000 0.281 364 L C -0.692 176.365 176.870 0.312 0.000 1.004 364 L CA -0.415 54.538 54.840 0.188 0.000 0.823 364 L CB 1.346 43.337 42.059 -0.115 0.000 1.236 364 L HN 0.704 nan 8.230 nan 0.000 0.415 365 M N 6.282 126.049 119.600 0.280 0.000 2.180 365 M HA 0.421 4.900 4.480 -0.002 0.000 0.350 365 M C -1.488 174.992 176.300 0.299 0.000 1.125 365 M CA -0.274 55.201 55.300 0.291 0.000 1.031 365 M CB 1.044 33.791 32.600 0.244 0.000 1.623 365 M HN 0.837 nan 8.290 nan 0.000 0.451 366 C N 8.204 127.708 119.300 0.341 0.000 2.322 366 C HA 0.807 5.266 4.460 -0.002 0.000 0.324 366 C C -0.857 174.354 174.990 0.369 0.000 1.249 366 C CA -0.568 58.641 59.018 0.319 0.000 1.453 366 C CB -0.157 27.758 27.740 0.291 0.000 2.145 366 C HN 0.889 nan 8.230 nan 0.000 0.466 367 F N 3.329 123.336 119.950 0.095 0.000 2.640 367 F HA 0.930 5.456 4.527 -0.002 0.000 0.324 367 F C -0.962 174.831 175.800 -0.012 0.000 1.077 367 F CA -1.332 56.688 58.000 0.033 0.000 0.965 367 F CB 1.143 40.137 39.000 -0.010 0.000 1.351 367 F HN 0.455 nan 8.300 nan 0.000 0.487 368 D N 1.151 121.402 120.400 -0.248 0.000 2.836 368 D HA 0.465 5.104 4.640 -0.002 0.000 0.215 368 D C -1.259 174.937 176.300 -0.173 0.000 1.255 368 D CA -0.458 53.331 54.000 -0.352 0.000 0.822 368 D CB 2.565 43.268 40.800 -0.161 0.000 1.656 368 D HN 0.854 nan 8.370 nan 0.000 0.511 369 I N -1.442 119.014 120.570 -0.190 0.000 2.607 369 I HA 0.737 4.905 4.170 -0.002 0.000 0.305 369 I C -0.839 175.217 176.117 -0.102 0.000 0.995 369 I CA -0.472 60.736 61.300 -0.154 0.000 1.148 369 I CB 1.832 39.697 38.000 -0.226 0.000 1.323 369 I HN 0.059 nan 8.210 nan 0.000 0.461 370 E N 4.324 124.458 120.200 -0.111 0.000 2.248 370 E HA 0.471 4.820 4.350 -0.002 0.000 0.267 370 E C -1.463 175.036 176.600 -0.168 0.000 0.877 370 E CA -0.400 55.938 56.400 -0.104 0.000 0.759 370 E CB 2.260 31.938 29.700 -0.037 0.000 1.182 370 E HN 0.748 nan 8.360 nan 0.000 0.418 371 C N 1.625 120.783 119.300 -0.237 0.000 2.719 371 C HA 0.703 5.162 4.460 -0.002 0.000 0.327 371 C C -0.018 174.831 174.990 -0.235 0.000 1.238 371 C CA -0.779 58.058 59.018 -0.303 0.000 1.727 371 C CB 1.745 29.152 27.740 -0.556 0.000 2.256 371 C HN 0.698 nan 8.230 nan 0.000 0.489 372 K N 0.624 120.894 120.400 -0.217 0.000 2.498 372 K HA 0.684 5.003 4.320 -0.002 0.000 0.254 372 K C -1.089 175.420 176.600 -0.152 0.000 0.933 372 K CA -0.168 56.000 56.287 -0.198 0.000 0.806 372 K CB 1.762 34.090 32.500 -0.287 0.000 1.301 372 K HN 0.910 nan 8.250 nan 0.000 0.432 373 A N 2.222 124.972 122.820 -0.116 0.000 2.327 373 A HA 0.652 4.971 4.320 -0.002 0.000 0.283 373 A C 0.170 177.730 177.584 -0.041 0.000 1.127 373 A CA 0.076 52.069 52.037 -0.072 0.000 0.810 373 A CB 0.973 19.939 19.000 -0.057 0.000 1.066 373 A HN 0.860 nan 8.150 nan 0.000 0.492 374 G N -0.067 108.729 108.800 -0.008 0.000 2.857 374 G HA2 0.729 4.688 3.960 -0.002 0.000 0.217 374 G HA3 0.729 4.688 3.960 -0.002 0.000 0.217 374 G C 0.475 175.400 174.900 0.042 0.000 1.357 374 G CA -0.217 44.889 45.100 0.009 0.000 1.033 374 G HN 2.283 nan 8.290 nan 0.000 0.571 375 G N -1.457 107.371 108.800 0.046 0.000 2.755 375 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.686 375 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.686 375 G C 0.607 175.535 174.900 0.046 0.000 1.427 375 G CA 0.549 45.683 45.100 0.056 0.000 0.873 375 G HN 0.830 nan 8.290 nan 0.000 0.580 376 E N -0.052 120.173 120.200 0.042 0.000 2.446 376 E HA -0.293 4.056 4.350 -0.002 0.000 0.248 376 E C 0.932 177.556 176.600 0.039 0.000 1.081 376 E CA 2.292 58.714 56.400 0.038 0.000 1.143 376 E CB 0.020 29.744 29.700 0.039 0.000 1.012 376 E HN 0.632 nan 8.360 nan 0.000 0.487 377 D N -0.772 119.657 120.400 0.048 0.000 2.461 377 D HA 0.081 4.720 4.640 -0.002 0.000 0.240 377 D C -0.190 176.141 176.300 0.051 0.000 1.094 377 D CA -0.020 54.009 54.000 0.049 0.000 0.868 377 D CB 0.816 41.649 40.800 0.055 0.000 1.062 377 D HN 0.054 nan 8.370 nan 0.000 0.530 378 E N 2.314 122.539 120.200 0.042 0.000 2.478 378 E HA -0.021 4.328 4.350 -0.002 0.000 0.198 378 E C 1.147 177.779 176.600 0.053 0.000 1.046 378 E CA 0.458 56.880 56.400 0.036 0.000 0.870 378 E CB 0.451 30.167 29.700 0.027 0.000 0.818 378 E HN 0.594 nan 8.360 nan 0.000 0.527 379 L N 0.317 121.582 121.223 0.070 0.000 2.628 379 L HA 0.238 4.577 4.340 -0.002 0.000 0.229 379 L C 0.933 177.913 176.870 0.183 0.000 1.137 379 L CA -0.601 54.306 54.840 0.112 0.000 0.909 379 L CB -0.104 41.994 42.059 0.066 0.000 1.137 379 L HN -0.073 nan 8.230 nan 0.000 0.470 380 A N 0.426 123.325 122.820 0.132 0.000 2.462 380 A HA 0.121 4.440 4.320 -0.002 0.000 0.243 380 A C -0.328 177.336 177.584 0.133 0.000 1.076 380 A CA -0.286 51.837 52.037 0.143 0.000 0.773 380 A CB -0.030 19.027 19.000 0.095 0.000 1.010 380 A HN 0.163 nan 8.150 nan 0.000 0.493 381 F N 3.537 123.477 119.950 -0.016 0.000 2.572 381 F HA 0.365 4.891 4.527 -0.002 0.000 0.370 381 F C -1.806 173.908 175.800 -0.143 0.000 1.103 381 F CA -1.508 56.368 58.000 -0.206 0.000 1.286 381 F CB 0.393 39.255 39.000 -0.230 0.000 1.105 381 F HN 0.345 nan 8.300 nan 0.000 0.583 382 P HA 0.240 nan 4.420 nan 0.000 0.275 382 P C -1.355 175.826 177.300 -0.199 0.000 1.228 382 P CA -0.180 62.675 63.100 -0.408 0.000 0.786 382 P CB 1.071 32.538 31.700 -0.388 0.000 0.927 383 V N 2.139 121.911 119.914 -0.237 0.000 2.482 383 V HA 0.348 4.467 4.120 -0.002 0.000 0.295 383 V C 1.229 177.107 176.094 -0.360 0.000 1.026 383 V CA -0.404 61.728 62.300 -0.281 0.000 0.856 383 V CB 1.097 32.557 31.823 -0.605 0.000 1.001 383 V HN 0.659 nan 8.190 nan 0.000 0.424 384 A N 3.879 126.304 122.820 -0.659 0.000 1.986 384 A HA -0.097 4.222 4.320 -0.002 0.000 0.220 384 A C 2.149 179.471 177.584 -0.435 0.000 1.171 384 A CA 2.245 53.645 52.037 -1.061 0.000 0.640 384 A CB -0.617 17.572 19.000 -1.351 0.000 0.811 384 A HN 1.166 nan 8.150 nan 0.000 0.451 385 G N -1.507 107.176 108.800 -0.195 0.000 2.559 385 G HA2 0.000 3.959 3.960 -0.002 0.000 0.216 385 G HA3 0.000 3.959 3.960 -0.002 0.000 0.216 385 G C 0.350 175.290 174.900 0.066 0.000 1.126 385 G CA 0.374 45.445 45.100 -0.047 0.000 0.778 385 G HN 0.628 nan 8.290 nan 0.000 0.543 386 H N 0.291 119.273 119.070 -0.146 0.000 2.668 386 H HA 0.303 4.858 4.556 -0.002 0.000 0.303 386 H C -1.466 173.796 175.328 -0.109 0.000 1.074 386 H CA -2.501 53.490 56.048 -0.096 0.000 1.406 386 H CB 1.527 31.255 29.762 -0.057 0.000 1.442 386 H HN -0.024 nan 8.280 nan 0.000 0.482 387 P HA -0.117 nan 4.420 nan 0.000 0.220 387 P C 0.541 177.851 177.300 0.017 0.000 1.148 387 P CA 1.046 64.127 63.100 -0.031 0.000 0.803 387 P CB 0.466 32.140 31.700 -0.044 0.000 0.782 388 E N -0.925 119.304 120.200 0.047 0.000 2.358 388 E HA -0.031 4.318 4.350 -0.002 0.000 0.195 388 E C 0.089 176.709 176.600 0.033 0.000 1.010 388 E CA 0.676 57.101 56.400 0.042 0.000 0.856 388 E CB -0.639 29.091 29.700 0.051 0.000 0.795 388 E HN 0.241 nan 8.360 nan 0.000 0.504 389 D N 0.842 121.274 120.400 0.054 0.000 2.499 389 D HA 0.207 4.846 4.640 -0.002 0.000 0.225 389 D C -0.655 175.704 176.300 0.097 0.000 1.124 389 D CA -0.118 53.906 54.000 0.040 0.000 0.938 389 D CB 0.319 41.127 40.800 0.014 0.000 1.014 389 D HN 0.042 nan 8.370 nan 0.000 0.517 390 L N 0.968 122.209 121.223 0.030 0.000 2.343 390 L HA 0.406 4.745 4.340 -0.002 0.000 0.275 390 L C 0.311 177.195 176.870 0.023 0.000 1.056 390 L CA -1.245 53.624 54.840 0.047 0.000 0.804 390 L CB 1.534 43.577 42.059 -0.027 0.000 1.203 390 L HN -0.063 nan 8.230 nan 0.000 0.440 391 V N 3.979 123.942 119.914 0.081 0.000 2.446 391 V HA -0.031 4.088 4.120 -0.002 0.000 0.276 391 V C 1.091 177.142 176.094 -0.072 0.000 1.030 391 V CA 0.317 62.583 62.300 -0.055 0.000 1.033 391 V CB 0.632 32.427 31.823 -0.048 0.000 0.993 391 V HN 0.725 nan 8.190 nan 0.000 0.477 392 I N 1.482 122.000 120.570 -0.086 0.000 3.854 392 I HA 0.374 4.543 4.170 -0.002 0.000 0.312 392 I C 0.655 176.808 176.117 0.061 0.000 1.273 392 I CA 0.401 61.699 61.300 -0.003 0.000 1.298 392 I CB 0.182 38.163 38.000 -0.031 0.000 1.071 392 I HN 0.547 nan 8.210 nan 0.000 0.428 393 Q N 1.253 121.054 119.800 0.000 0.000 2.426 393 Q HA 0.630 4.969 4.340 -0.002 0.000 0.278 393 Q C -1.512 174.461 176.000 -0.045 0.000 1.007 393 Q CA -0.554 55.270 55.803 0.035 0.000 0.850 393 Q CB 3.381 32.164 28.738 0.075 0.000 1.427 393 Q HN 0.181 nan 8.270 nan 0.000 0.391 394 I N 0.993 121.553 120.570 -0.015 0.000 2.466 394 I HA 0.322 4.491 4.170 -0.002 0.000 0.289 394 I C -0.443 175.733 176.117 0.099 0.000 1.026 394 I CA -0.721 60.518 61.300 -0.102 0.000 1.078 394 I CB 2.153 39.849 38.000 -0.506 0.000 1.249 394 I HN 0.392 nan 8.210 nan 0.000 0.429 395 S N 5.593 121.350 115.700 0.095 0.000 2.430 395 S HA 0.376 4.845 4.470 -0.002 0.000 0.289 395 S C -0.799 173.940 174.600 0.231 0.000 1.143 395 S CA -0.324 57.971 58.200 0.158 0.000 1.067 395 S CB 0.640 63.906 63.200 0.110 0.000 0.964 395 S HN 0.740 nan 8.310 nan 0.000 0.485 396 C N 8.136 127.599 119.300 0.273 0.000 2.344 396 C HA 0.613 5.072 4.460 -0.002 0.000 0.326 396 C C -0.823 174.292 174.990 0.209 0.000 1.201 396 C CA -0.769 58.429 59.018 0.300 0.000 1.410 396 C CB -0.726 27.249 27.740 0.391 0.000 2.070 396 C HN 0.888 nan 8.230 nan 0.000 0.445 397 L N 6.713 128.065 121.223 0.216 0.000 2.341 397 L HA 0.606 4.945 4.340 -0.002 0.000 0.278 397 L C -0.706 176.259 176.870 0.158 0.000 1.005 397 L CA -0.569 54.356 54.840 0.141 0.000 0.818 397 L CB 1.602 43.768 42.059 0.179 0.000 1.259 397 L HN 0.523 nan 8.230 nan 0.000 0.418 398 L N 3.693 124.934 121.223 0.029 0.000 2.316 398 L HA 0.479 4.818 4.340 -0.002 0.000 0.280 398 L C -1.122 175.795 176.870 0.078 0.000 1.006 398 L CA -0.620 54.298 54.840 0.131 0.000 0.836 398 L CB 1.068 43.129 42.059 0.004 0.000 1.221 398 L HN 0.404 nan 8.230 nan 0.000 0.418 399 Y N 0.408 120.827 120.300 0.198 0.000 2.457 399 Y HA 0.292 4.841 4.550 -0.002 0.000 0.333 399 Y C 0.178 176.187 175.900 0.181 0.000 1.119 399 Y CA -0.806 57.394 58.100 0.166 0.000 1.143 399 Y CB 1.469 40.077 38.460 0.247 0.000 1.230 399 Y HN 0.495 nan 8.280 nan 0.000 0.469 400 D N 1.551 122.115 120.400 0.273 0.000 2.317 400 D HA 0.124 4.763 4.640 -0.002 0.000 0.252 400 D C 0.456 176.902 176.300 0.244 0.000 1.174 400 D CA -0.124 54.004 54.000 0.213 0.000 0.866 400 D CB 0.996 41.872 40.800 0.126 0.000 1.127 400 D HN 0.471 nan 8.370 nan 0.000 0.467 401 L N 3.636 124.991 121.223 0.220 0.000 2.270 401 L HA 0.032 4.371 4.340 -0.002 0.000 0.210 401 L C 1.965 178.960 176.870 0.208 0.000 1.104 401 L CA 1.286 56.249 54.840 0.205 0.000 0.804 401 L CB -0.696 41.346 42.059 -0.028 0.000 0.937 401 L HN 0.537 nan 8.230 nan 0.000 0.450 402 S N -2.259 113.532 115.700 0.150 0.000 2.406 402 S HA -0.124 4.345 4.470 -0.002 0.000 0.228 402 S C 1.811 176.483 174.600 0.120 0.000 1.020 402 S CA 1.703 59.981 58.200 0.131 0.000 0.965 402 S CB -0.182 63.067 63.200 0.082 0.000 0.798 402 S HN 0.534 nan 8.310 nan 0.000 0.488 403 T N -0.404 114.213 114.554 0.105 0.000 2.925 403 T HA 0.169 4.518 4.350 -0.002 0.000 0.245 403 T C 1.013 175.736 174.700 0.038 0.000 1.025 403 T CA 1.352 63.490 62.100 0.063 0.000 1.149 403 T CB -0.189 68.704 68.868 0.043 0.000 0.866 403 T HN 0.475 nan 8.240 nan 0.000 0.437 404 T N -0.194 114.376 114.554 0.026 0.000 5.518 404 T HA -0.105 4.244 4.350 -0.002 0.000 0.269 404 T C 0.264 174.824 174.700 -0.233 0.000 2.211 404 T CA 0.446 62.401 62.100 -0.241 0.000 3.785 404 T CB -1.602 67.115 68.868 -0.252 0.000 0.437 404 T HN 0.623 nan 8.240 nan 0.000 0.789 405 A N 1.149 123.928 122.820 -0.067 0.000 2.498 405 A HA 0.549 4.868 4.320 -0.002 0.000 0.239 405 A C 0.127 177.667 177.584 -0.074 0.000 1.068 405 A CA 0.079 52.077 52.037 -0.065 0.000 0.766 405 A CB 0.140 19.110 19.000 -0.051 0.000 1.003 405 A HN 0.565 nan 8.150 nan 0.000 0.497 406 L N 2.537 123.635 121.223 -0.208 0.000 2.312 406 L HA 0.256 4.595 4.340 -0.002 0.000 0.287 406 L C 0.908 177.590 176.870 -0.314 0.000 1.091 406 L CA 0.590 55.142 54.840 -0.480 0.000 0.846 406 L CB -0.141 41.607 42.059 -0.518 0.000 1.219 406 L HN 0.872 nan 8.230 nan 0.000 0.439 407 E N 3.468 123.502 120.200 -0.277 0.000 2.190 407 E HA 0.076 4.425 4.350 -0.002 0.000 0.191 407 E C -0.314 175.927 176.600 -0.600 0.000 0.978 407 E CA 0.536 56.723 56.400 -0.355 0.000 0.839 407 E CB 0.262 29.817 29.700 -0.243 0.000 0.787 407 E HN 0.560 nan 8.360 nan 0.000 0.473 408 H N -0.341 118.661 119.070 -0.113 0.000 2.966 408 H HA 0.287 4.842 4.556 -0.002 0.000 0.347 408 H C -1.228 174.042 175.328 -0.096 0.000 1.048 408 H CA -0.536 55.458 56.048 -0.091 0.000 1.295 408 H CB 1.876 31.582 29.762 -0.095 0.000 1.744 408 H HN -0.179 nan 8.280 nan 0.000 0.513 409 V N 5.636 125.583 119.914 0.055 0.000 2.313 409 V HA 0.314 4.433 4.120 -0.002 0.000 0.278 409 V C 0.032 176.159 176.094 0.055 0.000 1.017 409 V CA -0.473 61.850 62.300 0.039 0.000 0.823 409 V CB 1.112 32.938 31.823 0.005 0.000 1.010 409 V HN 0.436 nan 8.190 nan 0.000 0.443 410 L N 5.659 126.928 121.223 0.077 0.000 2.346 410 L HA 0.672 5.011 4.340 -0.002 0.000 0.276 410 L C -0.770 176.167 176.870 0.112 0.000 1.006 410 L CA -0.682 54.189 54.840 0.051 0.000 0.817 410 L CB 2.104 44.182 42.059 0.032 0.000 1.272 410 L HN 0.476 nan 8.230 nan 0.000 0.421 411 L N 3.124 124.381 121.223 0.056 0.000 2.342 411 L HA 0.565 4.904 4.340 -0.002 0.000 0.276 411 L C -1.118 175.818 176.870 0.110 0.000 0.997 411 L CA 0.090 55.008 54.840 0.129 0.000 0.838 411 L CB 0.905 43.020 42.059 0.094 0.000 1.224 411 L HN 0.209 nan 8.230 nan 0.000 0.416 412 F N 3.227 123.241 119.950 0.106 0.000 2.396 412 F HA 0.603 5.129 4.527 -0.002 0.000 0.343 412 F C 0.740 176.636 175.800 0.160 0.000 1.104 412 F CA 0.099 58.213 58.000 0.190 0.000 1.161 412 F CB 1.720 40.760 39.000 0.066 0.000 1.146 412 F HN 0.511 nan 8.300 nan 0.000 0.522 413 S N 4.454 120.422 115.700 0.447 0.000 2.668 413 S HA 0.449 4.918 4.470 -0.002 0.000 0.277 413 S C -1.598 173.219 174.600 0.362 0.000 1.170 413 S CA -0.769 57.613 58.200 0.305 0.000 0.994 413 S CB 0.826 64.139 63.200 0.188 0.000 1.051 413 S HN 0.537 nan 8.310 nan 0.000 0.484 414 L N 5.788 127.171 121.223 0.267 0.000 2.385 414 L HA 0.732 5.071 4.340 -0.002 0.000 0.285 414 L C 0.541 177.570 176.870 0.265 0.000 1.125 414 L CA 1.691 56.685 54.840 0.256 0.000 0.890 414 L CB -0.417 41.743 42.059 0.168 0.000 1.251 414 L HN 1.161 nan 8.230 nan 0.000 0.445 415 G N 2.862 111.772 108.800 0.182 0.000 2.570 415 G HA2 -0.024 3.935 3.960 -0.002 0.000 0.686 415 G HA3 -0.024 3.935 3.960 -0.002 0.000 0.686 415 G C -0.561 174.327 174.900 -0.021 0.000 1.257 415 G CA -0.507 44.628 45.100 0.059 0.000 0.846 415 G HN 1.126 nan 8.290 nan 0.000 0.627 416 S N -1.555 114.093 115.700 -0.088 0.000 2.560 416 S HA 0.495 4.964 4.470 -0.002 0.000 0.284 416 S C 0.421 174.971 174.600 -0.084 0.000 1.327 416 S CA 0.192 58.333 58.200 -0.099 0.000 1.055 416 S CB 1.466 64.600 63.200 -0.110 0.000 0.868 416 S HN 2.184 nan 8.310 nan 0.000 0.506 417 C N 2.806 122.069 119.300 -0.062 0.000 2.505 417 C HA 0.548 5.007 4.460 -0.002 0.000 0.342 417 C C -1.782 173.181 174.990 -0.044 0.000 1.121 417 C CA -0.625 58.366 59.018 -0.045 0.000 1.306 417 C CB 0.090 27.828 27.740 -0.005 0.000 1.897 417 C HN 0.920 nan 8.230 nan 0.000 0.446 418 D N 5.680 126.051 120.400 -0.048 0.000 2.464 418 D HA 0.391 5.030 4.640 -0.002 0.000 0.243 418 D C 0.142 176.422 176.300 -0.034 0.000 1.104 418 D CA 0.087 54.060 54.000 -0.044 0.000 0.883 418 D CB 1.113 41.883 40.800 -0.050 0.000 1.050 418 D HN 0.587 nan 8.370 nan 0.000 0.524 419 L N 2.890 124.104 121.223 -0.016 0.000 2.506 419 L HA 0.167 4.506 4.340 -0.002 0.000 0.281 419 L C -1.641 175.229 176.870 0.000 0.000 1.228 419 L CA -1.230 53.617 54.840 0.011 0.000 0.850 419 L CB 0.012 42.107 42.059 0.059 0.000 1.110 419 L HN 0.137 nan 8.230 nan 0.000 0.496 420 P HA 0.019 nan 4.420 nan 0.000 0.271 420 P C 0.225 177.531 177.300 0.010 0.000 1.218 420 P CA -0.251 62.844 63.100 -0.009 0.000 0.780 420 P CB 0.685 32.365 31.700 -0.032 0.000 0.901 421 E N 1.167 121.361 120.200 -0.010 0.000 2.110 421 E HA -0.139 4.210 4.350 -0.002 0.000 0.193 421 E C 1.790 178.385 176.600 -0.008 0.000 0.988 421 E CA 1.807 58.197 56.400 -0.015 0.000 0.804 421 E CB -0.200 29.488 29.700 -0.020 0.000 0.745 421 E HN 0.540 nan 8.360 nan 0.000 0.458 422 S N 0.286 115.988 115.700 0.005 0.000 2.365 422 S HA -0.252 4.217 4.470 -0.002 0.000 0.225 422 S C 1.979 176.607 174.600 0.047 0.000 1.039 422 S CA 1.761 59.971 58.200 0.017 0.000 1.033 422 S CB -0.716 62.493 63.200 0.014 0.000 0.887 422 S HN 0.360 nan 8.310 nan 0.000 0.447 423 H N 1.280 120.319 119.070 -0.053 0.000 2.423 423 H HA 0.188 4.743 4.556 -0.002 0.000 0.297 423 H C 1.970 177.275 175.328 -0.039 0.000 1.075 423 H CA 1.160 57.176 56.048 -0.053 0.000 1.342 423 H CB -0.449 29.262 29.762 -0.084 0.000 1.395 423 H HN 0.233 nan 8.280 nan 0.000 0.530 424 L N 0.396 121.532 121.223 -0.145 0.000 2.056 424 L HA -0.135 4.204 4.340 -0.002 0.000 0.207 424 L C 1.451 178.245 176.870 -0.126 0.000 1.078 424 L CA 1.381 56.112 54.840 -0.181 0.000 0.749 424 L CB -0.856 41.145 42.059 -0.096 0.000 0.901 424 L HN 0.359 nan 8.230 nan 0.000 0.433 425 N N 0.073 118.730 118.700 -0.072 0.000 2.120 425 N HA -0.231 4.508 4.740 -0.002 0.000 0.188 425 N C 1.712 177.192 175.510 -0.050 0.000 1.024 425 N CA 1.206 54.227 53.050 -0.049 0.000 0.852 425 N CB -0.129 38.342 38.487 -0.026 0.000 1.003 425 N HN 0.426 nan 8.380 nan 0.000 0.424 426 E N 0.222 120.394 120.200 -0.047 0.000 2.072 426 E HA -0.111 4.238 4.350 -0.002 0.000 0.191 426 E C 1.586 178.152 176.600 -0.058 0.000 0.985 426 E CA 0.501 56.886 56.400 -0.025 0.000 0.801 426 E CB 0.091 29.811 29.700 0.033 0.000 0.750 426 E HN 0.067 nan 8.360 nan 0.000 0.452 427 L N 0.934 122.075 121.223 -0.136 0.000 1.989 427 L HA -0.173 4.166 4.340 -0.002 0.000 0.211 427 L C 2.613 179.430 176.870 -0.088 0.000 1.071 427 L CA 2.024 56.783 54.840 -0.135 0.000 0.749 427 L CB -1.691 40.237 42.059 -0.219 0.000 0.890 427 L HN 0.236 nan 8.230 nan 0.000 0.431 428 A N -0.365 122.404 122.820 -0.085 0.000 1.883 428 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 428 A C 2.470 180.027 177.584 -0.045 0.000 1.186 428 A CA 1.989 53.989 52.037 -0.061 0.000 0.624 428 A CB -0.747 18.220 19.000 -0.055 0.000 0.822 428 A HN 0.433 nan 8.150 nan 0.000 0.444 429 A N -0.585 122.211 122.820 -0.039 0.000 2.024 429 A HA -0.141 4.178 4.320 -0.002 0.000 0.220 429 A C 2.121 179.693 177.584 -0.021 0.000 1.164 429 A CA 1.529 53.551 52.037 -0.025 0.000 0.643 429 A CB -0.367 18.623 19.000 -0.017 0.000 0.806 429 A HN 0.534 nan 8.150 nan 0.000 0.451 430 R N -1.374 119.112 120.500 -0.024 0.000 2.334 430 R HA 0.234 4.573 4.340 -0.002 0.000 0.220 430 R C 1.048 177.333 176.300 -0.026 0.000 0.917 430 R CA 0.475 56.565 56.100 -0.017 0.000 1.073 430 R CB -0.059 30.237 30.300 -0.007 0.000 1.056 430 R HN 0.628 nan 8.270 nan 0.000 0.506 431 G N 1.372 110.151 108.800 -0.034 0.000 2.221 431 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.265 431 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.265 431 G C -0.120 174.748 174.900 -0.053 0.000 1.041 431 G CA -0.004 45.072 45.100 -0.040 0.000 0.807 431 G HN 0.191 nan 8.290 nan 0.000 0.502 432 L N -0.083 121.105 121.223 -0.060 0.000 2.331 432 L HA 0.485 4.824 4.340 -0.002 0.000 0.275 432 L C -1.722 175.097 176.870 -0.085 0.000 1.022 432 L CA -2.460 52.335 54.840 -0.075 0.000 0.812 432 L CB 1.689 43.709 42.059 -0.066 0.000 1.257 432 L HN -0.120 nan 8.230 nan 0.000 0.435 433 P HA -0.010 nan 4.420 nan 0.000 0.265 433 P C -0.517 176.738 177.300 -0.076 0.000 1.187 433 P CA 0.037 63.082 63.100 -0.091 0.000 0.766 433 P CB 0.274 31.906 31.700 -0.113 0.000 0.820 434 T N 5.608 120.124 114.554 -0.063 0.000 2.853 434 T HA 0.193 4.542 4.350 -0.002 0.000 0.298 434 T C -1.975 172.697 174.700 -0.046 0.000 0.978 434 T CA -0.626 61.435 62.100 -0.064 0.000 1.152 434 T CB -0.388 68.448 68.868 -0.053 0.000 0.914 434 T HN 0.312 nan 8.240 nan 0.000 0.539 435 P HA 0.204 nan 4.420 nan 0.000 0.269 435 P C -1.018 176.267 177.300 -0.025 0.000 1.215 435 P CA -0.365 62.720 63.100 -0.025 0.000 0.780 435 P CB 0.450 32.141 31.700 -0.015 0.000 0.898 436 V N 2.975 122.878 119.914 -0.018 0.000 2.350 436 V HA 0.167 4.286 4.120 -0.002 0.000 0.285 436 V C -0.006 176.043 176.094 -0.076 0.000 1.014 436 V CA -0.655 61.618 62.300 -0.046 0.000 0.831 436 V CB 1.774 33.583 31.823 -0.023 0.000 1.000 436 V HN 0.214 nan 8.190 nan 0.000 0.433 437 V N 7.097 126.954 119.914 -0.095 0.000 2.368 437 V HA 0.382 4.501 4.120 -0.002 0.000 0.266 437 V C -0.011 175.989 176.094 -0.158 0.000 1.045 437 V CA -0.285 61.959 62.300 -0.094 0.000 0.899 437 V CB 1.026 32.811 31.823 -0.064 0.000 1.006 437 V HN 0.636 nan 8.190 nan 0.000 0.470 438 L N 5.861 126.980 121.223 -0.172 0.000 2.275 438 L HA 0.618 4.957 4.340 -0.002 0.000 0.288 438 L C 0.135 176.927 176.870 -0.130 0.000 1.046 438 L CA -0.246 54.455 54.840 -0.232 0.000 0.805 438 L CB 0.947 42.836 42.059 -0.283 0.000 1.193 438 L HN 0.603 nan 8.230 nan 0.000 0.426 439 E N 2.818 122.818 120.200 -0.333 0.000 2.277 439 E HA 0.786 5.135 4.350 -0.002 0.000 0.266 439 E C -1.458 174.943 176.600 -0.332 0.000 0.901 439 E CA -0.689 55.637 56.400 -0.122 0.000 0.782 439 E CB 2.496 32.132 29.700 -0.107 0.000 1.228 439 E HN 0.231 nan 8.360 nan 0.000 0.424 440 F N -0.183 119.848 119.950 0.135 0.000 2.686 440 F HA 0.223 4.749 4.527 -0.002 0.000 0.311 440 F C 0.376 176.258 175.800 0.137 0.000 1.128 440 F CA -0.844 57.289 58.000 0.222 0.000 0.946 440 F CB 1.459 40.575 39.000 0.195 0.000 1.336 440 F HN 0.331 nan 8.300 nan 0.000 0.457 441 D N -0.190 120.478 120.400 0.447 0.000 2.301 441 D HA 0.063 4.702 4.640 -0.002 0.000 0.206 441 D C 0.415 176.852 176.300 0.229 0.000 0.979 441 D CA 0.910 55.138 54.000 0.380 0.000 0.874 441 D CB 0.326 41.479 40.800 0.589 0.000 0.968 441 D HN 0.367 nan 8.370 nan 0.000 0.510 442 S N -0.934 114.837 115.700 0.118 0.000 2.599 442 S HA 0.300 4.769 4.470 -0.002 0.000 0.287 442 S C 0.784 175.334 174.600 -0.084 0.000 1.105 442 S CA -0.846 57.231 58.200 -0.205 0.000 0.899 442 S CB 2.964 65.912 63.200 -0.419 0.000 1.100 442 S HN -0.027 nan 8.310 nan 0.000 0.482 443 E N 0.463 120.610 120.200 -0.087 0.000 2.110 443 E HA -0.178 4.171 4.350 -0.002 0.000 0.193 443 E C 1.449 177.917 176.600 -0.220 0.000 0.988 443 E CA 1.220 57.575 56.400 -0.074 0.000 0.804 443 E CB -0.266 29.479 29.700 0.076 0.000 0.745 443 E HN 0.696 nan 8.360 nan 0.000 0.458 444 F N 1.860 121.539 119.950 -0.452 0.000 2.102 444 F HA -0.102 4.424 4.527 -0.002 0.000 0.298 444 F C 1.915 177.381 175.800 -0.555 0.000 1.105 444 F CA 1.894 59.425 58.000 -0.781 0.000 1.239 444 F CB -0.139 38.306 39.000 -0.926 0.000 0.991 444 F HN 0.015 nan 8.300 nan 0.000 0.474 445 E N -0.067 119.850 120.200 -0.472 0.000 2.160 445 E HA -0.285 4.064 4.350 -0.002 0.000 0.195 445 E C 2.232 178.425 176.600 -0.677 0.000 0.991 445 E CA 1.634 57.786 56.400 -0.413 0.000 0.810 445 E CB -0.319 29.448 29.700 0.113 0.000 0.742 445 E HN 0.555 nan 8.360 nan 0.000 0.466 446 M N 0.362 119.384 119.600 -0.962 0.000 2.236 446 M HA -0.070 4.409 4.480 -0.002 0.000 0.266 446 M C 1.847 177.688 176.300 -0.764 0.000 1.070 446 M CA 1.109 55.560 55.300 -1.416 0.000 1.137 446 M CB 0.229 32.239 32.600 -0.984 0.000 1.378 446 M HN 0.084 nan 8.290 nan 0.000 0.426 447 L N 0.061 120.910 121.223 -0.624 0.000 2.109 447 L HA -0.174 4.165 4.340 -0.002 0.000 0.207 447 L C 2.405 178.973 176.870 -0.503 0.000 1.086 447 L CA 0.447 54.997 54.840 -0.483 0.000 0.760 447 L CB -0.744 41.094 42.059 -0.369 0.000 0.910 447 L HN 0.348 nan 8.230 nan 0.000 0.437 448 L N 0.405 121.207 121.223 -0.701 0.000 1.994 448 L HA -0.162 4.177 4.340 -0.002 0.000 0.208 448 L C 2.708 179.387 176.870 -0.317 0.000 1.071 448 L CA 2.071 56.558 54.840 -0.588 0.000 0.745 448 L CB -0.829 40.760 42.059 -0.783 0.000 0.892 448 L HN 0.160 nan 8.230 nan 0.000 0.431 449 A N -0.824 121.846 122.820 -0.251 0.000 1.892 449 A HA -0.331 3.988 4.320 -0.002 0.000 0.218 449 A C 2.311 179.733 177.584 -0.270 0.000 1.188 449 A CA 2.268 54.251 52.037 -0.091 0.000 0.631 449 A CB -1.350 17.810 19.000 0.267 0.000 0.822 449 A HN 0.558 nan 8.150 nan 0.000 0.447 450 F N 0.103 119.676 119.950 -0.628 0.000 2.102 450 F HA -0.188 4.338 4.527 -0.002 0.000 0.298 450 F C 2.276 177.745 175.800 -0.552 0.000 1.105 450 F CA 2.046 59.465 58.000 -0.969 0.000 1.239 450 F CB -0.249 38.073 39.000 -1.130 0.000 0.991 450 F HN 0.106 nan 8.300 nan 0.000 0.474 451 M N -0.214 119.065 119.600 -0.537 0.000 2.159 451 M HA -0.154 4.325 4.480 -0.002 0.000 0.263 451 M C 2.088 178.265 176.300 -0.205 0.000 1.063 451 M CA 1.699 56.674 55.300 -0.541 0.000 1.110 451 M CB -1.825 30.308 32.600 -0.779 0.000 1.374 451 M HN 0.121 nan 8.290 nan 0.000 0.411 452 T N 1.521 116.020 114.554 -0.091 0.000 2.746 452 T HA -0.119 4.230 4.350 -0.002 0.000 0.267 452 T C 1.847 176.526 174.700 -0.034 0.000 1.039 452 T CA 1.103 63.289 62.100 0.143 0.000 1.142 452 T CB -0.331 68.670 68.868 0.222 0.000 0.866 452 T HN 0.280 nan 8.240 nan 0.000 0.444 453 L N 1.280 122.295 121.223 -0.346 0.000 2.083 453 L HA 0.016 4.355 4.340 -0.002 0.000 0.209 453 L C 2.305 179.058 176.870 -0.195 0.000 1.083 453 L CA 1.387 56.010 54.840 -0.362 0.000 0.752 453 L CB -0.564 41.172 42.059 -0.539 0.000 0.899 453 L HN 0.053 nan 8.230 nan 0.000 0.433 454 V N -0.266 119.459 119.914 -0.316 0.000 2.515 454 V HA -0.217 3.902 4.120 -0.002 0.000 0.250 454 V C 2.607 178.719 176.094 0.030 0.000 1.058 454 V CA 1.835 64.022 62.300 -0.188 0.000 1.064 454 V CB -0.604 31.048 31.823 -0.284 0.000 0.675 454 V HN 0.466 nan 8.190 nan 0.000 0.461 455 K N 0.161 120.616 120.400 0.091 0.000 2.137 455 K HA -0.062 4.257 4.320 -0.002 0.000 0.202 455 K C 2.088 178.745 176.600 0.095 0.000 1.052 455 K CA 1.353 57.698 56.287 0.097 0.000 0.961 455 K CB -0.125 32.410 32.500 0.059 0.000 0.741 455 K HN 0.495 nan 8.250 nan 0.000 0.452 456 Q N -1.749 118.119 119.800 0.112 0.000 2.250 456 Q HA -0.033 4.306 4.340 -0.002 0.000 0.200 456 Q C 1.364 177.455 176.000 0.153 0.000 0.941 456 Q CA 0.948 56.816 55.803 0.108 0.000 0.872 456 Q CB 0.051 28.814 28.738 0.042 0.000 0.965 456 Q HN 0.356 nan 8.270 nan 0.000 0.480 457 Y N 0.155 120.481 120.300 0.043 0.000 2.389 457 Y HA 0.183 4.732 4.550 -0.002 0.000 0.292 457 Y C 1.058 176.999 175.900 0.068 0.000 1.117 457 Y CA 0.979 59.114 58.100 0.059 0.000 1.195 457 Y CB 0.473 38.962 38.460 0.048 0.000 1.076 457 Y HN 0.134 nan 8.280 nan 0.000 0.548 458 G N 2.353 111.239 108.800 0.142 0.000 2.350 458 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.298 458 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.298 458 G C -2.420 172.514 174.900 0.056 0.000 1.037 458 G CA -0.008 45.137 45.100 0.075 0.000 1.074 458 G HN 0.382 nan 8.290 nan 0.000 0.511 459 P HA 0.206 nan 4.420 nan 0.000 0.265 459 P C 0.616 177.949 177.300 0.054 0.000 1.222 459 P CA 0.150 63.356 63.100 0.177 0.000 0.767 459 P CB 0.972 32.853 31.700 0.300 0.000 0.801 460 E N 1.877 122.045 120.200 -0.054 0.000 2.274 460 E HA 0.008 4.357 4.350 -0.002 0.000 0.194 460 E C -0.072 176.168 176.600 -0.600 0.000 0.996 460 E CA 1.164 57.308 56.400 -0.427 0.000 0.840 460 E CB -0.339 28.684 29.700 -1.128 0.000 0.772 460 E HN 0.479 nan 8.360 nan 0.000 0.491 461 F N -0.702 119.192 119.950 -0.094 0.000 2.532 461 F HA 0.518 5.044 4.527 -0.002 0.000 0.321 461 F C -0.368 175.456 175.800 0.040 0.000 1.089 461 F CA -1.194 56.792 58.000 -0.024 0.000 0.926 461 F CB 1.768 40.718 39.000 -0.084 0.000 1.168 461 F HN -0.407 nan 8.300 nan 0.000 0.459 462 V N 1.482 121.547 119.914 0.251 0.000 2.888 462 V HA 0.779 4.898 4.120 -0.002 0.000 0.309 462 V C -0.486 175.786 176.094 0.297 0.000 1.114 462 V CA -0.487 61.989 62.300 0.292 0.000 0.940 462 V CB 2.325 34.386 31.823 0.397 0.000 1.021 462 V HN 0.884 nan 8.190 nan 0.000 0.426 463 T N 1.266 115.987 114.554 0.278 0.000 2.711 463 T HA 0.895 5.244 4.350 -0.002 0.000 0.302 463 T C -0.427 174.373 174.700 0.167 0.000 1.373 463 T CA 0.410 62.638 62.100 0.214 0.000 1.000 463 T CB 1.858 70.759 68.868 0.055 0.000 1.483 463 T HN 1.709 nan 8.240 nan 0.000 0.499 464 G N 0.132 109.009 108.800 0.129 0.000 2.345 464 G HA2 0.330 4.289 3.960 -0.002 0.000 0.285 464 G HA3 0.330 4.289 3.960 -0.002 0.000 0.285 464 G C -2.432 172.560 174.900 0.153 0.000 1.297 464 G CA -0.672 44.468 45.100 0.067 0.000 0.875 464 G HN 0.715 nan 8.290 nan 0.000 0.506 465 Y N 1.381 121.664 120.300 -0.028 0.000 2.328 465 Y HA 0.520 5.069 4.550 -0.002 0.000 0.333 465 Y C 0.913 176.797 175.900 -0.027 0.000 0.958 465 Y CA 0.095 58.214 58.100 0.031 0.000 1.167 465 Y CB 1.477 39.965 38.460 0.046 0.000 1.151 465 Y HN 0.777 nan 8.280 nan 0.000 0.470 466 N N 2.736 121.312 118.700 -0.207 0.000 2.741 466 N HA -0.275 4.464 4.740 -0.002 0.000 0.251 466 N C 0.807 176.306 175.510 -0.018 0.000 1.112 466 N CA 1.430 54.363 53.050 -0.194 0.000 0.750 466 N CB -1.165 37.170 38.487 -0.254 0.000 1.119 466 N HN 0.818 nan 8.380 nan 0.000 0.561 467 I N -3.369 117.189 120.570 -0.020 0.000 2.361 467 I HA -0.155 4.014 4.170 -0.002 0.000 0.251 467 I C 1.962 178.215 176.117 0.227 0.000 1.133 467 I CA 1.044 62.325 61.300 -0.032 0.000 1.413 467 I CB -0.345 37.498 38.000 -0.261 0.000 1.073 467 I HN 0.120 nan 8.210 nan 0.000 0.424 468 I N 1.926 122.655 120.570 0.264 0.000 2.252 468 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 468 I C 2.225 178.470 176.117 0.213 0.000 1.102 468 I CA 1.472 62.951 61.300 0.299 0.000 1.385 468 I CB -0.610 37.562 38.000 0.287 0.000 1.064 468 I HN 0.356 nan 8.210 nan 0.000 0.414 469 N N -0.249 118.535 118.700 0.140 0.000 2.376 469 N HA -0.071 4.668 4.740 -0.002 0.000 0.177 469 N C 1.517 177.149 175.510 0.203 0.000 1.024 469 N CA 1.273 54.396 53.050 0.122 0.000 0.893 469 N CB 0.328 38.824 38.487 0.015 0.000 0.980 469 N HN 0.322 nan 8.380 nan 0.000 0.439 470 F N 0.906 120.876 119.950 0.034 0.000 2.421 470 F HA 0.207 4.733 4.527 -0.002 0.000 0.270 470 F C 1.186 177.034 175.800 0.079 0.000 0.894 470 F CA 0.042 58.075 58.000 0.056 0.000 1.128 470 F CB 0.007 39.005 39.000 -0.003 0.000 1.011 470 F HN -0.281 nan 8.300 nan 0.000 0.788 471 D N 0.322 120.743 120.400 0.035 0.000 2.077 471 D HA -0.198 4.441 4.640 -0.002 0.000 0.193 471 D C 1.896 178.200 176.300 0.006 0.000 0.989 471 D CA 2.308 56.227 54.000 -0.136 0.000 0.831 471 D CB -0.590 40.031 40.800 -0.298 0.000 0.979 471 D HN 0.412 nan 8.370 nan 0.000 0.449 472 W N 0.645 122.043 121.300 0.164 0.000 2.355 472 W HA -0.062 4.596 4.660 -0.002 0.000 0.309 472 W C -0.639 175.922 176.519 0.070 0.000 1.206 472 W CA 0.393 57.855 57.345 0.196 0.000 1.284 472 W CB -1.162 28.433 29.460 0.224 0.000 1.145 472 W HN 0.144 nan 8.180 nan 0.000 0.502 473 P HA -0.262 nan 4.420 nan 0.000 0.216 473 P C 1.363 178.680 177.300 0.029 0.000 1.153 473 P CA 1.660 64.823 63.100 0.106 0.000 0.858 473 P CB -0.449 31.296 31.700 0.074 0.000 0.789 474 F N -0.298 119.508 119.950 -0.240 0.000 2.102 474 F HA -0.164 4.362 4.527 -0.002 0.000 0.298 474 F C 2.122 177.815 175.800 -0.180 0.000 1.105 474 F CA 1.417 59.221 58.000 -0.326 0.000 1.239 474 F CB -0.651 37.942 39.000 -0.677 0.000 0.991 474 F HN -0.252 nan 8.300 nan 0.000 0.474 475 L N -0.414 120.898 121.223 0.149 0.000 2.093 475 L HA -0.216 4.123 4.340 -0.002 0.000 0.208 475 L C 2.247 179.159 176.870 0.071 0.000 1.085 475 L CA 0.799 55.704 54.840 0.107 0.000 0.755 475 L CB -0.514 41.600 42.059 0.092 0.000 0.904 475 L HN 0.208 nan 8.230 nan 0.000 0.435 476 L N -0.916 120.369 121.223 0.104 0.000 2.131 476 L HA -0.091 4.248 4.340 -0.002 0.000 0.206 476 L C 2.867 179.710 176.870 -0.044 0.000 1.087 476 L CA 0.893 55.755 54.840 0.036 0.000 0.767 476 L CB -0.865 41.235 42.059 0.069 0.000 0.917 476 L HN 0.221 nan 8.230 nan 0.000 0.441 477 A N 0.598 123.365 122.820 -0.089 0.000 1.908 477 A HA -0.272 4.047 4.320 -0.002 0.000 0.218 477 A C 2.332 179.816 177.584 -0.165 0.000 1.181 477 A CA 2.065 54.010 52.037 -0.154 0.000 0.627 477 A CB -0.369 18.487 19.000 -0.240 0.000 0.818 477 A HN 0.209 nan 8.150 nan 0.000 0.445 478 K N -0.500 119.799 120.400 -0.169 0.000 2.025 478 K HA 0.061 4.380 4.320 -0.002 0.000 0.207 478 K C 1.861 178.470 176.600 0.016 0.000 1.049 478 K CA 1.170 57.384 56.287 -0.123 0.000 0.933 478 K CB -0.407 32.069 32.500 -0.040 0.000 0.714 478 K HN 0.468 nan 8.250 nan 0.000 0.438 479 L N 0.175 121.436 121.223 0.063 0.000 2.017 479 L HA -0.236 4.103 4.340 -0.002 0.000 0.208 479 L C 2.495 179.399 176.870 0.056 0.000 1.073 479 L CA 1.993 56.893 54.840 0.099 0.000 0.745 479 L CB -0.851 41.178 42.059 -0.050 0.000 0.894 479 L HN 0.454 nan 8.230 nan 0.000 0.432 480 T N -4.241 110.301 114.554 -0.020 0.000 2.814 480 T HA -0.155 4.194 4.350 -0.002 0.000 0.254 480 T C 1.643 176.325 174.700 -0.031 0.000 1.037 480 T CA 1.052 63.136 62.100 -0.026 0.000 1.143 480 T CB -0.310 68.525 68.868 -0.055 0.000 0.866 480 T HN 0.176 nan 8.240 nan 0.000 0.431 481 D N 1.147 121.504 120.400 -0.072 0.000 2.091 481 D HA 0.065 4.704 4.640 -0.002 0.000 0.199 481 D C 2.008 178.231 176.300 -0.128 0.000 0.980 481 D CA 0.813 54.758 54.000 -0.091 0.000 0.831 481 D CB -0.388 40.344 40.800 -0.112 0.000 0.987 481 D HN 0.467 nan 8.370 nan 0.000 0.460 482 I N -1.036 119.397 120.570 -0.229 0.000 2.480 482 I HA -0.146 4.023 4.170 -0.002 0.000 0.251 482 I C 1.189 177.054 176.117 -0.420 0.000 1.124 482 I CA 0.652 61.711 61.300 -0.402 0.000 1.444 482 I CB 0.081 37.689 38.000 -0.653 0.000 1.098 482 I HN 0.047 nan 8.210 nan 0.000 0.428 483 Y N 0.039 120.362 120.300 0.038 0.000 2.467 483 Y HA 0.198 4.747 4.550 -0.002 0.000 0.250 483 Y C 0.679 176.626 175.900 0.078 0.000 1.155 483 Y CA -0.504 57.636 58.100 0.067 0.000 1.249 483 Y CB 0.205 38.779 38.460 0.191 0.000 1.146 483 Y HN -0.107 nan 8.280 nan 0.000 0.524 484 K N -0.099 120.387 120.400 0.144 0.000 2.960 484 K HA -0.181 4.138 4.320 -0.002 0.000 0.259 484 K C -0.549 176.151 176.600 0.166 0.000 1.025 484 K CA 0.445 56.804 56.287 0.120 0.000 0.756 484 K CB -1.865 30.702 32.500 0.112 0.000 1.221 484 K HN 0.067 nan 8.250 nan 0.000 0.483 485 V N 1.806 121.815 119.914 0.158 0.000 2.508 485 V HA 0.179 4.298 4.120 -0.002 0.000 0.281 485 V C -1.214 174.899 176.094 0.031 0.000 1.041 485 V CA -1.224 61.129 62.300 0.088 0.000 1.016 485 V CB 0.597 32.380 31.823 -0.067 0.000 0.984 485 V HN 0.091 nan 8.190 nan 0.000 0.478 486 P HA 0.340 nan 4.420 nan 0.000 0.281 486 P C -0.046 177.276 177.300 0.037 0.000 1.249 486 P CA -0.328 62.807 63.100 0.058 0.000 0.810 486 P CB 1.496 33.263 31.700 0.111 0.000 1.008 487 L N 0.704 121.909 121.223 -0.030 0.000 2.858 487 L HA 0.109 4.447 4.340 -0.002 0.000 0.251 487 L C 1.770 178.640 176.870 -0.001 0.000 1.149 487 L CA 0.068 54.836 54.840 -0.119 0.000 0.955 487 L CB -0.277 41.484 42.059 -0.495 0.000 1.289 487 L HN 0.360 nan 8.230 nan 0.000 0.542 488 D N 0.669 121.099 120.400 0.051 0.000 2.311 488 D HA -0.146 4.493 4.640 -0.002 0.000 0.212 488 D C 1.564 177.917 176.300 0.088 0.000 0.972 488 D CA 1.335 55.385 54.000 0.084 0.000 0.887 488 D CB 0.137 40.971 40.800 0.056 0.000 0.915 488 D HN 0.345 nan 8.370 nan 0.000 0.497 489 G N -1.120 107.717 108.800 0.061 0.000 3.126 489 G HA2 0.018 3.977 3.960 -0.002 0.000 0.224 489 G HA3 0.018 3.977 3.960 -0.002 0.000 0.224 489 G C 0.706 175.556 174.900 -0.083 0.000 1.142 489 G CA -0.306 44.809 45.100 0.025 0.000 0.759 489 G HN 0.191 nan 8.290 nan 0.000 0.550 490 Y N 0.947 121.271 120.300 0.041 0.000 2.510 490 Y HA 0.236 4.785 4.550 -0.002 0.000 0.273 490 Y C 2.359 178.344 175.900 0.141 0.000 1.119 490 Y CA -0.017 58.082 58.100 -0.002 0.000 1.286 490 Y CB 0.362 38.698 38.460 -0.207 0.000 1.061 490 Y HN 0.205 nan 8.280 nan 0.000 0.542 491 G N -0.121 108.903 108.800 0.374 0.000 2.529 491 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.234 491 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.234 491 G C 0.961 175.903 174.900 0.069 0.000 1.527 491 G CA -0.067 45.149 45.100 0.193 0.000 1.062 491 G HN 0.102 nan 8.290 nan 0.000 0.558 492 R N -0.952 119.564 120.500 0.027 0.000 2.093 492 R HA 0.158 4.497 4.340 -0.002 0.000 0.224 492 R C 1.726 178.026 176.300 0.000 0.000 1.101 492 R CA 0.524 56.632 56.100 0.013 0.000 0.979 492 R CB -0.510 29.791 30.300 0.003 0.000 0.877 492 R HN 0.470 nan 8.270 nan 0.000 0.441 493 M N 0.891 120.489 119.600 -0.004 0.000 2.248 493 M HA 0.006 4.485 4.480 -0.002 0.000 0.337 493 M C 0.716 177.001 176.300 -0.026 0.000 1.121 493 M CA 0.636 55.930 55.300 -0.010 0.000 1.155 493 M CB 0.539 33.136 32.600 -0.004 0.000 1.514 493 M HN 0.218 nan 8.290 nan 0.000 0.452 494 N N 0.086 118.741 118.700 -0.074 0.000 2.457 494 N HA 0.114 4.853 4.740 -0.002 0.000 0.180 494 N C 0.397 175.869 175.510 -0.063 0.000 1.050 494 N CA -0.015 52.946 53.050 -0.149 0.000 0.906 494 N CB 0.311 38.449 38.487 -0.582 0.000 0.968 494 N HN 0.785 nan 8.380 nan 0.000 0.445 495 G N -0.922 107.855 108.800 -0.038 0.000 2.601 495 G HA2 0.395 4.354 3.960 -0.002 0.000 0.291 495 G HA3 0.395 4.354 3.960 -0.002 0.000 0.291 495 G C -0.610 174.295 174.900 0.008 0.000 1.456 495 G CA -0.921 44.175 45.100 -0.007 0.000 0.804 495 G HN 0.078 nan 8.290 nan 0.000 0.499 496 R N -1.932 118.582 120.500 0.023 0.000 3.989 496 R HA -0.163 4.176 4.340 -0.002 0.000 0.377 496 R C 1.029 177.348 176.300 0.031 0.000 1.158 496 R CA 1.198 57.315 56.100 0.029 0.000 1.035 496 R CB -1.636 28.679 30.300 0.024 0.000 1.557 496 R HN 1.282 nan 8.270 nan 0.000 0.551 497 G N 0.068 108.892 108.800 0.041 0.000 2.528 497 G HA2 0.503 4.462 3.960 -0.002 0.000 0.289 497 G HA3 0.503 4.462 3.960 -0.002 0.000 0.289 497 G C -0.100 174.836 174.900 0.059 0.000 1.192 497 G CA -0.061 45.063 45.100 0.040 0.000 0.921 497 G HN 0.266 nan 8.290 nan 0.000 0.512 498 V N -0.850 119.084 119.914 0.034 0.000 2.546 498 V HA 0.768 4.887 4.120 -0.002 0.000 0.284 498 V C -0.848 175.262 176.094 0.026 0.000 1.050 498 V CA -0.595 61.724 62.300 0.031 0.000 0.981 498 V CB 0.880 32.721 31.823 0.031 0.000 0.990 498 V HN 0.627 nan 8.190 nan 0.000 0.474 499 F N 6.178 126.049 119.950 -0.131 0.000 3.159 499 F HA 0.592 5.118 4.527 -0.002 0.000 0.394 499 F C -0.246 175.390 175.800 -0.272 0.000 1.214 499 F CA -0.549 57.334 58.000 -0.196 0.000 1.241 499 F CB 0.316 39.232 39.000 -0.141 0.000 2.238 499 F HN 0.566 nan 8.300 nan 0.000 0.658 500 R N 2.362 122.755 120.500 -0.178 0.000 2.668 500 R HA 0.723 5.062 4.340 -0.002 0.000 0.272 500 R C -1.658 174.317 176.300 -0.542 0.000 1.019 500 R CA -0.896 54.959 56.100 -0.408 0.000 0.894 500 R CB 2.862 32.716 30.300 -0.744 0.000 1.228 500 R HN 0.189 nan 8.270 nan 0.000 0.460 501 V N 1.721 121.315 119.914 -0.534 0.000 2.667 501 V HA 0.629 4.748 4.120 -0.002 0.000 0.308 501 V C -0.947 174.819 176.094 -0.548 0.000 1.048 501 V CA -0.668 61.394 62.300 -0.396 0.000 0.928 501 V CB 1.624 33.374 31.823 -0.122 0.000 1.004 501 V HN 0.702 nan 8.190 nan 0.000 0.444 502 W N 0.133 121.409 121.300 -0.040 0.000 3.060 502 W HA 0.746 5.406 4.660 -0.002 0.000 0.346 502 W C -0.686 175.832 176.519 -0.001 0.000 1.194 502 W CA -0.822 56.511 57.345 -0.021 0.000 1.105 502 W CB 0.498 29.940 29.460 -0.030 0.000 1.487 502 W HN 0.347 nan 8.180 nan 0.000 0.592 515 I N -1.891 118.455 120.570 -0.373 0.000 2.865 515 I HA 0.701 4.869 4.170 -0.002 0.000 0.302 515 I C -1.968 173.786 176.117 -0.606 0.000 1.140 515 I CA -0.741 60.345 61.300 -0.357 0.000 1.021 515 I CB 2.555 40.379 38.000 -0.292 0.000 1.233 515 I HN 0.049 nan 8.210 nan 0.000 0.427 516 K N 4.240 124.421 120.400 -0.365 0.000 2.578 516 K HA 0.720 5.039 4.320 -0.002 0.000 0.250 516 K C -1.925 174.428 176.600 -0.411 0.000 0.955 516 K CA -0.444 55.664 56.287 -0.298 0.000 0.825 516 K CB 2.268 34.746 32.500 -0.037 0.000 1.151 516 K HN 0.538 nan 8.250 nan 0.000 0.432 517 V N 4.143 123.769 119.914 -0.481 0.000 2.447 517 V HA 0.236 4.355 4.120 -0.002 0.000 0.292 517 V C -0.795 175.092 176.094 -0.344 0.000 1.021 517 V CA -1.299 60.602 62.300 -0.666 0.000 0.850 517 V CB 1.378 32.556 31.823 -1.075 0.000 1.005 517 V HN 0.915 nan 8.190 nan 0.000 0.426 518 N N 3.360 121.930 118.700 -0.217 0.000 2.357 518 N HA 0.308 5.047 4.740 -0.002 0.000 0.257 518 N C 1.099 176.545 175.510 -0.107 0.000 1.250 518 N CA 0.779 53.753 53.050 -0.126 0.000 0.862 518 N CB 0.624 39.065 38.487 -0.077 0.000 1.066 518 N HN 1.170 nan 8.380 nan 0.000 0.468 519 G N 1.064 109.805 108.800 -0.099 0.000 2.203 519 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.263 519 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.263 519 G C -0.226 174.689 174.900 0.024 0.000 1.012 519 G CA 0.551 45.628 45.100 -0.039 0.000 0.749 519 G HN 0.759 nan 8.290 nan 0.000 0.512 520 M N 0.577 120.137 119.600 -0.066 0.000 2.204 520 M HA 0.494 4.973 4.480 -0.002 0.000 0.293 520 M C -0.560 175.682 176.300 -0.097 0.000 0.994 520 M CA -0.701 54.539 55.300 -0.101 0.000 0.925 520 M CB 2.088 34.599 32.600 -0.148 0.000 1.577 520 M HN -0.010 nan 8.290 nan 0.000 0.439 521 V N 5.055 124.868 119.914 -0.169 0.000 2.320 521 V HA 0.322 4.441 4.120 -0.002 0.000 0.265 521 V C 0.103 176.252 176.094 0.092 0.000 1.048 521 V CA -0.795 61.461 62.300 -0.073 0.000 0.865 521 V CB 0.316 31.990 31.823 -0.249 0.000 1.043 521 V HN 0.740 nan 8.190 nan 0.000 0.474 522 N N 5.503 124.324 118.700 0.202 0.000 2.411 522 N HA 0.464 5.203 4.740 -0.002 0.000 0.259 522 N C -0.681 175.014 175.510 0.308 0.000 1.103 522 N CA -0.043 53.194 53.050 0.311 0.000 0.954 522 N CB 1.905 40.611 38.487 0.365 0.000 1.085 522 N HN 0.574 nan 8.380 nan 0.000 0.485 523 I N 1.284 122.040 120.570 0.310 0.000 2.389 523 I HA 0.135 4.304 4.170 -0.002 0.000 0.288 523 I C -0.101 176.171 176.117 0.258 0.000 0.999 523 I CA -0.771 60.685 61.300 0.261 0.000 1.129 523 I CB 1.752 39.958 38.000 0.343 0.000 1.288 523 I HN 0.223 nan 8.210 nan 0.000 0.444 524 D N 6.721 127.230 120.400 0.181 0.000 2.280 524 D HA 0.232 4.871 4.640 -0.002 0.000 0.236 524 D C 0.732 177.090 176.300 0.097 0.000 1.082 524 D CA -0.448 53.645 54.000 0.156 0.000 0.834 524 D CB 1.450 42.339 40.800 0.148 0.000 1.100 524 D HN 0.333 nan 8.370 nan 0.000 0.486 525 M N 3.467 123.145 119.600 0.130 0.000 2.229 525 M HA -0.140 4.339 4.480 -0.002 0.000 0.264 525 M C 1.577 177.869 176.300 -0.013 0.000 1.063 525 M CA 0.837 56.220 55.300 0.138 0.000 1.114 525 M CB -1.142 31.662 32.600 0.339 0.000 1.387 525 M HN 0.606 nan 8.290 nan 0.000 0.420 526 Y N 0.963 120.992 120.300 -0.452 0.000 2.069 526 Y HA -0.225 4.324 4.550 -0.002 0.000 0.278 526 Y C 2.227 177.920 175.900 -0.345 0.000 1.175 526 Y CA 2.228 59.912 58.100 -0.694 0.000 1.134 526 Y CB -0.840 37.112 38.460 -0.848 0.000 0.965 526 Y HN 0.236 nan 8.280 nan 0.000 0.498 527 G N 0.531 109.171 108.800 -0.268 0.000 2.402 527 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.216 527 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.216 527 G C 1.552 176.263 174.900 -0.314 0.000 1.162 527 G CA 1.031 45.937 45.100 -0.323 0.000 0.777 527 G HN 0.389 nan 8.290 nan 0.000 0.539 528 I N 1.352 121.782 120.570 -0.234 0.000 2.118 528 I HA -0.171 3.998 4.170 -0.002 0.000 0.241 528 I C 2.825 178.715 176.117 -0.379 0.000 1.070 528 I CA 0.992 62.133 61.300 -0.265 0.000 1.327 528 I CB -1.173 36.695 38.000 -0.220 0.000 1.034 528 I HN 0.166 nan 8.210 nan 0.000 0.405 529 I N 0.468 120.814 120.570 -0.373 0.000 2.226 529 I HA -0.229 3.940 4.170 -0.002 0.000 0.245 529 I C 0.832 176.730 176.117 -0.365 0.000 1.100 529 I CA 1.125 62.207 61.300 -0.363 0.000 1.374 529 I CB -0.492 37.442 38.000 -0.110 0.000 1.057 529 I HN 0.168 nan 8.210 nan 0.000 0.413 530 T N 1.693 115.896 114.554 -0.586 0.000 4.280 530 T HA 0.057 4.406 4.350 -0.002 0.000 0.245 530 T C -0.102 174.356 174.700 -0.404 0.000 1.100 530 T CA 0.478 62.164 62.100 -0.691 0.000 1.137 530 T CB -0.168 68.111 68.868 -0.981 0.000 1.296 530 T HN 0.308 nan 8.240 nan 0.000 0.998 531 D N -0.149 120.083 120.400 -0.280 0.000 3.432 531 D HA -0.003 4.636 4.640 -0.002 0.000 0.545 531 D C 1.244 177.448 176.300 -0.160 0.000 0.501 531 D CA 0.016 53.894 54.000 -0.204 0.000 1.001 531 D CB 0.177 40.845 40.800 -0.219 0.000 1.479 531 D HN 0.311 nan 8.370 nan 0.000 0.251 532 K N -0.158 120.138 120.400 -0.174 0.000 2.509 532 K HA 0.352 4.671 4.320 -0.002 0.000 0.205 532 K C 0.858 177.442 176.600 -0.027 0.000 1.336 532 K CA 0.029 56.254 56.287 -0.103 0.000 0.912 532 K CB 1.463 33.861 32.500 -0.171 0.000 1.568 532 K HN 0.140 nan 8.250 nan 0.000 0.475 533 I N 0.131 120.690 120.570 -0.018 0.000 2.498 533 I HA 0.379 4.548 4.170 -0.002 0.000 0.301 533 I C -0.680 175.516 176.117 0.131 0.000 0.984 533 I CA -0.724 60.618 61.300 0.070 0.000 1.204 533 I CB 1.308 39.372 38.000 0.107 0.000 1.362 533 I HN -0.222 nan 8.210 nan 0.000 0.471 534 K N 6.655 127.121 120.400 0.110 0.000 2.206 534 K HA 0.700 5.019 4.320 -0.002 0.000 0.264 534 K C -1.220 175.399 176.600 0.033 0.000 0.967 534 K CA -0.579 55.787 56.287 0.131 0.000 0.844 534 K CB 1.701 34.245 32.500 0.073 0.000 1.099 534 K HN 0.709 nan 8.250 nan 0.000 0.441 535 L N 0.900 122.080 121.223 -0.071 0.000 2.518 535 L HA 0.212 4.551 4.340 -0.002 0.000 0.257 535 L C 1.172 177.841 176.870 -0.335 0.000 0.980 535 L CA -0.512 54.131 54.840 -0.328 0.000 0.837 535 L CB 2.208 43.897 42.059 -0.616 0.000 1.410 535 L HN 0.535 nan 8.230 nan 0.000 0.410 536 S N -0.473 115.088 115.700 -0.232 0.000 2.419 536 S HA -0.072 4.397 4.470 -0.002 0.000 0.233 536 S C 0.593 175.071 174.600 -0.203 0.000 1.016 536 S CA 1.010 59.111 58.200 -0.163 0.000 0.974 536 S CB -0.022 63.111 63.200 -0.112 0.000 0.786 536 S HN 0.565 nan 8.310 nan 0.000 0.492 537 S N -1.367 114.129 115.700 -0.340 0.000 2.569 537 S HA 0.625 5.094 4.470 -0.002 0.000 0.280 537 S C -1.144 173.145 174.600 -0.518 0.000 1.111 537 S CA -0.693 57.346 58.200 -0.268 0.000 0.887 537 S CB 0.984 64.108 63.200 -0.126 0.000 1.095 537 S HN 0.260 nan 8.310 nan 0.000 0.476 538 Y N 0.991 121.350 120.300 0.100 0.000 2.641 538 Y HA 0.407 4.956 4.550 -0.002 0.000 0.248 538 Y C 0.714 176.780 175.900 0.277 0.000 1.170 538 Y CA -0.501 57.703 58.100 0.174 0.000 1.201 538 Y CB 0.654 39.217 38.460 0.171 0.000 1.232 538 Y HN 0.468 nan 8.280 nan 0.000 0.537 539 K N 0.734 121.276 120.400 0.237 0.000 2.319 539 K HA 0.038 4.357 4.320 -0.002 0.000 0.265 539 K C 0.991 177.606 176.600 0.025 0.000 1.000 539 K CA -0.156 56.228 56.287 0.162 0.000 0.943 539 K CB 0.711 33.247 32.500 0.060 0.000 0.950 539 K HN 0.133 nan 8.250 nan 0.000 0.485 540 L N 4.088 125.231 121.223 -0.134 0.000 1.976 540 L HA -0.223 4.116 4.340 -0.002 0.000 0.209 540 L C 1.467 178.235 176.870 -0.170 0.000 1.071 540 L CA 2.344 56.965 54.840 -0.364 0.000 0.746 540 L CB -1.068 40.713 42.059 -0.463 0.000 0.890 540 L HN 0.956 nan 8.230 nan 0.000 0.432 541 N N -0.329 118.301 118.700 -0.118 0.000 2.137 541 N HA -0.232 4.507 4.740 -0.002 0.000 0.190 541 N C 1.769 177.243 175.510 -0.060 0.000 1.017 541 N CA 1.542 54.543 53.050 -0.082 0.000 0.859 541 N CB -0.662 37.772 38.487 -0.090 0.000 1.002 541 N HN 0.437 nan 8.380 nan 0.000 0.428 542 A N 1.208 123.995 122.820 -0.054 0.000 1.845 542 A HA -0.084 4.235 4.320 -0.002 0.000 0.215 542 A C 2.506 180.068 177.584 -0.035 0.000 1.195 542 A CA 1.771 53.780 52.037 -0.047 0.000 0.616 542 A CB -1.116 17.855 19.000 -0.049 0.000 0.832 542 A HN 0.181 nan 8.150 nan 0.000 0.443 543 V N 0.099 120.001 119.914 -0.019 0.000 2.392 543 V HA -0.286 3.833 4.120 -0.002 0.000 0.249 543 V C 2.989 179.097 176.094 0.022 0.000 1.059 543 V CA 2.031 64.345 62.300 0.023 0.000 1.051 543 V CB -1.354 30.513 31.823 0.072 0.000 0.658 543 V HN 0.628 nan 8.190 nan 0.000 0.455 544 A N 0.304 123.116 122.820 -0.013 0.000 2.070 544 A HA -0.228 4.091 4.320 -0.002 0.000 0.220 544 A C 2.281 179.874 177.584 0.014 0.000 1.159 544 A CA 1.712 53.753 52.037 0.006 0.000 0.656 544 A CB -0.404 18.586 19.000 -0.016 0.000 0.800 544 A HN 0.787 nan 8.150 nan 0.000 0.453 545 E N -0.541 119.659 120.200 -0.001 0.000 2.318 545 E HA 0.173 4.522 4.350 -0.002 0.000 0.193 545 E C 1.744 178.347 176.600 0.005 0.000 0.998 545 E CA 0.755 57.154 56.400 -0.002 0.000 0.859 545 E CB -0.187 29.503 29.700 -0.017 0.000 0.812 545 E HN 0.424 nan 8.360 nan 0.000 0.492 546 A N 0.925 123.752 122.820 0.011 0.000 1.943 546 A HA 0.104 4.423 4.320 -0.002 0.000 0.213 546 A C 2.168 179.780 177.584 0.047 0.000 1.181 546 A CA 0.791 52.839 52.037 0.018 0.000 0.653 546 A CB 0.071 19.074 19.000 0.005 0.000 0.833 546 A HN 0.171 nan 8.150 nan 0.000 0.451 547 V N -0.715 119.244 119.914 0.075 0.000 2.922 547 V HA 0.124 4.243 4.120 -0.002 0.000 0.242 547 V C 1.724 177.866 176.094 0.080 0.000 1.094 547 V CA 0.669 63.040 62.300 0.118 0.000 1.106 547 V CB -0.198 31.755 31.823 0.217 0.000 0.799 547 V HN 0.406 nan 8.190 nan 0.000 0.474 548 L N -0.258 121.005 121.223 0.068 0.000 2.667 548 L HA 0.287 4.626 4.340 -0.002 0.000 0.232 548 L C 0.724 177.614 176.870 0.033 0.000 1.138 548 L CA 0.200 55.069 54.840 0.049 0.000 0.921 548 L CB -0.534 41.561 42.059 0.060 0.000 1.180 548 L HN 0.400 nan 8.230 nan 0.000 0.487 549 K N 0.925 121.342 120.400 0.028 0.000 3.003 549 K HA -0.235 4.084 4.320 -0.002 0.000 0.257 549 K C -0.303 176.307 176.600 0.015 0.000 0.958 549 K CA 0.658 56.956 56.287 0.017 0.000 0.707 549 K CB -0.816 31.692 32.500 0.014 0.000 1.279 549 K HN 0.273 nan 8.250 nan 0.000 0.479 550 D N 0.338 120.748 120.400 0.017 0.000 2.457 550 D HA 0.308 4.947 4.640 -0.002 0.000 0.240 550 D C -1.025 175.279 176.300 0.007 0.000 1.041 550 D CA -0.803 53.207 54.000 0.017 0.000 0.861 550 D CB 0.941 41.758 40.800 0.028 0.000 1.394 550 D HN 0.142 nan 8.370 nan 0.000 0.473 551 K N 1.746 122.150 120.400 0.007 0.000 2.559 551 K HA 0.535 4.854 4.320 -0.002 0.000 0.249 551 K C -0.814 175.785 176.600 -0.002 0.000 0.958 551 K CA -1.096 55.189 56.287 -0.003 0.000 0.901 551 K CB 1.964 34.462 32.500 -0.003 0.000 1.124 551 K HN 0.037 nan 8.250 nan 0.000 0.437 552 K N 3.540 123.927 120.400 -0.021 0.000 2.535 552 K HA 0.240 4.559 4.320 -0.002 0.000 0.251 552 K C -1.686 174.850 176.600 -0.105 0.000 0.942 552 K CA -0.505 55.760 56.287 -0.038 0.000 0.798 552 K CB 1.637 34.136 32.500 -0.002 0.000 1.267 552 K HN 0.868 nan 8.250 nan 0.000 0.434 553 K N 3.419 123.732 120.400 -0.145 0.000 2.987 553 K HA 0.292 4.611 4.320 -0.002 0.000 0.224 553 K C -1.305 175.172 176.600 -0.206 0.000 1.209 553 K CA -0.563 55.624 56.287 -0.166 0.000 0.971 553 K CB 0.541 32.983 32.500 -0.098 0.000 1.252 553 K HN 0.458 nan 8.250 nan 0.000 0.580 554 D N 2.116 122.291 120.400 -0.375 0.000 2.672 554 D HA 0.162 4.801 4.640 -0.002 0.000 0.287 554 D C -0.769 175.313 176.300 -0.364 0.000 1.559 554 D CA -0.210 53.578 54.000 -0.353 0.000 0.796 554 D CB 0.740 41.303 40.800 -0.396 0.000 1.181 554 D HN 0.256 nan 8.370 nan 0.000 0.458 555 L N 0.858 121.889 121.223 -0.321 0.000 2.469 555 L HA 0.551 4.890 4.340 -0.002 0.000 0.256 555 L C -1.304 175.464 176.870 -0.170 0.000 1.006 555 L CA -0.405 54.304 54.840 -0.218 0.000 0.832 555 L CB 2.272 44.203 42.059 -0.213 0.000 1.421 555 L HN -0.028 nan 8.230 nan 0.000 0.410 556 S N 0.135 115.737 115.700 -0.163 0.000 2.584 556 S HA 0.228 4.697 4.470 -0.002 0.000 0.280 556 S C 0.152 174.648 174.600 -0.173 0.000 1.162 556 S CA -0.421 57.667 58.200 -0.186 0.000 0.951 556 S CB 0.340 63.403 63.200 -0.228 0.000 1.108 556 S HN 0.736 nan 8.310 nan 0.000 0.464 557 Y N 1.897 122.139 120.300 -0.097 0.000 2.365 557 Y HA -0.075 4.474 4.550 -0.002 0.000 0.287 557 Y C 1.844 177.686 175.900 -0.098 0.000 1.162 557 Y CA 0.982 59.024 58.100 -0.097 0.000 1.260 557 Y CB -0.367 38.050 38.460 -0.071 0.000 0.976 557 Y HN 0.570 nan 8.280 nan 0.000 0.548 558 R N 0.480 120.749 120.500 -0.386 0.000 2.148 558 R HA -0.097 4.242 4.340 -0.002 0.000 0.223 558 R C 1.037 177.235 176.300 -0.169 0.000 1.088 558 R CA 1.433 57.388 56.100 -0.243 0.000 0.985 558 R CB -0.220 29.883 30.300 -0.328 0.000 0.880 558 R HN 0.454 nan 8.270 nan 0.000 0.451 559 D N 0.548 120.798 120.400 -0.250 0.000 2.234 559 D HA -0.034 4.605 4.640 -0.002 0.000 0.205 559 D C 1.697 177.765 176.300 -0.386 0.000 0.962 559 D CA 0.577 54.346 54.000 -0.387 0.000 0.855 559 D CB -0.018 40.395 40.800 -0.646 0.000 0.951 559 D HN 0.127 nan 8.370 nan 0.000 0.500 560 I N 1.294 121.732 120.570 -0.221 0.000 2.087 560 I HA -0.276 3.893 4.170 -0.002 0.000 0.240 560 I C -0.624 175.521 176.117 0.046 0.000 1.054 560 I CA 1.486 62.743 61.300 -0.071 0.000 1.311 560 I CB -1.228 36.765 38.000 -0.012 0.000 1.024 560 I HN 0.060 nan 8.210 nan 0.000 0.402 561 P HA -0.231 nan 4.420 nan 0.000 0.214 561 P C 1.500 178.890 177.300 0.150 0.000 1.163 561 P CA 2.175 65.323 63.100 0.080 0.000 0.889 561 P CB -0.103 31.619 31.700 0.036 0.000 0.790 562 A N -1.077 121.810 122.820 0.112 0.000 1.859 562 A HA -0.273 4.046 4.320 -0.002 0.000 0.217 562 A C 2.198 179.959 177.584 0.294 0.000 1.198 562 A CA 1.933 54.074 52.037 0.173 0.000 0.629 562 A CB -2.105 16.990 19.000 0.157 0.000 0.830 562 A HN 0.100 nan 8.150 nan 0.000 0.446 563 Y N -1.840 118.506 120.300 0.077 0.000 2.128 563 Y HA -0.233 4.316 4.550 -0.002 0.000 0.284 563 Y C 2.336 178.282 175.900 0.077 0.000 1.154 563 Y CA 0.767 58.906 58.100 0.066 0.000 1.149 563 Y CB -1.573 36.928 38.460 0.069 0.000 0.976 563 Y HN 0.511 nan 8.280 nan 0.000 0.505 564 Y N 0.255 120.665 120.300 0.184 0.000 2.102 564 Y HA -0.301 4.248 4.550 -0.002 0.000 0.280 564 Y C 2.506 178.451 175.900 0.074 0.000 1.178 564 Y CA 2.028 60.188 58.100 0.101 0.000 1.146 564 Y CB -0.494 38.005 38.460 0.065 0.000 0.968 564 Y HN 0.052 nan 8.280 nan 0.000 0.504 565 A N -1.097 121.854 122.820 0.218 0.000 2.066 565 A HA -0.083 4.236 4.320 -0.002 0.000 0.218 565 A C 2.300 179.907 177.584 0.039 0.000 1.157 565 A CA 1.834 53.949 52.037 0.130 0.000 0.670 565 A CB -1.657 17.428 19.000 0.142 0.000 0.804 565 A HN 0.613 nan 8.150 nan 0.000 0.453 566 T N -1.602 112.971 114.554 0.032 0.000 2.708 566 T HA 0.385 4.734 4.350 -0.002 0.000 0.266 566 T C 1.341 176.012 174.700 -0.048 0.000 1.037 566 T CA 2.237 64.332 62.100 -0.008 0.000 1.146 566 T CB -0.241 68.612 68.868 -0.025 0.000 0.865 566 T HN 1.612 nan 8.240 nan 0.000 0.435 567 G N -0.718 108.028 108.800 -0.090 0.000 2.356 567 G HA2 0.360 4.319 3.960 -0.002 0.000 0.288 567 G HA3 0.360 4.319 3.960 -0.002 0.000 0.288 567 G C -2.578 172.241 174.900 -0.134 0.000 1.302 567 G CA 0.048 45.084 45.100 -0.107 0.000 0.887 567 G HN -0.059 nan 8.290 nan 0.000 0.521 568 P HA 0.107 nan 4.420 nan 0.000 0.221 568 P C 1.939 179.185 177.300 -0.090 0.000 1.150 568 P CA 2.194 65.228 63.100 -0.109 0.000 0.800 568 P CB 0.120 31.767 31.700 -0.089 0.000 0.787 569 A N -0.182 122.587 122.820 -0.084 0.000 1.897 569 A HA -0.184 4.135 4.320 -0.002 0.000 0.215 569 A C 2.312 179.841 177.584 -0.092 0.000 1.181 569 A CA 1.214 53.203 52.037 -0.081 0.000 0.620 569 A CB -1.201 17.752 19.000 -0.078 0.000 0.821 569 A HN 0.077 nan 8.150 nan 0.000 0.443 570 Q N -0.492 119.245 119.800 -0.106 0.000 2.224 570 Q HA -0.090 4.249 4.340 -0.002 0.000 0.203 570 Q C 2.191 178.173 176.000 -0.030 0.000 0.970 570 Q CA 0.967 56.700 55.803 -0.116 0.000 0.865 570 Q CB -0.156 28.496 28.738 -0.143 0.000 0.922 570 Q HN 0.654 nan 8.270 nan 0.000 0.445 571 R N -0.534 119.934 120.500 -0.053 0.000 2.115 571 R HA -0.088 4.251 4.340 -0.002 0.000 0.230 571 R C 2.292 178.589 176.300 -0.006 0.000 1.111 571 R CA 1.030 57.114 56.100 -0.026 0.000 0.976 571 R CB -0.401 29.829 30.300 -0.116 0.000 0.870 571 R HN 0.256 nan 8.270 nan 0.000 0.445 572 G N 0.510 109.287 108.800 -0.039 0.000 2.418 572 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.217 572 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.217 572 G C 1.434 176.291 174.900 -0.073 0.000 1.158 572 G CA 0.693 45.768 45.100 -0.042 0.000 0.771 572 G HN 0.131 nan 8.290 nan 0.000 0.545 573 V N 1.170 121.035 119.914 -0.082 0.000 2.358 573 V HA -0.141 3.978 4.120 -0.002 0.000 0.246 573 V C 2.789 178.834 176.094 -0.080 0.000 1.047 573 V CA 1.484 63.699 62.300 -0.142 0.000 1.035 573 V CB -0.366 31.411 31.823 -0.076 0.000 0.658 573 V HN 0.407 nan 8.190 nan 0.000 0.452 574 I N 0.876 121.487 120.570 0.068 0.000 2.179 574 I HA -0.178 3.991 4.170 -0.002 0.000 0.242 574 I C 2.641 178.789 176.117 0.051 0.000 1.088 574 I CA 1.824 63.200 61.300 0.127 0.000 1.357 574 I CB -1.044 37.056 38.000 0.166 0.000 1.051 574 I HN 0.403 nan 8.210 nan 0.000 0.409 575 G N 0.258 109.067 108.800 0.016 0.000 2.450 575 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.220 575 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.220 575 G C 1.525 176.384 174.900 -0.068 0.000 1.130 575 G CA 0.945 46.050 45.100 0.008 0.000 0.760 575 G HN 0.510 nan 8.290 nan 0.000 0.557 576 E N -0.367 119.694 120.200 -0.231 0.000 2.038 576 E HA -0.185 4.164 4.350 -0.002 0.000 0.195 576 E C 2.065 178.428 176.600 -0.396 0.000 1.000 576 E CA 0.932 56.987 56.400 -0.574 0.000 0.803 576 E CB -0.364 28.833 29.700 -0.839 0.000 0.750 576 E HN 0.658 nan 8.360 nan 0.000 0.448 577 Y N -0.439 119.781 120.300 -0.133 0.000 2.421 577 Y HA -0.196 4.353 4.550 -0.002 0.000 0.292 577 Y C 2.698 178.570 175.900 -0.047 0.000 1.136 577 Y CA 0.296 58.348 58.100 -0.081 0.000 1.255 577 Y CB -0.071 38.366 38.460 -0.039 0.000 0.991 577 Y HN 0.320 nan 8.280 nan 0.000 0.552 578 C N 0.111 119.465 119.300 0.091 0.000 2.466 578 C HA -0.123 4.336 4.460 -0.002 0.000 0.278 578 C C 2.538 177.574 174.990 0.076 0.000 1.288 578 C CA 0.916 59.976 59.018 0.070 0.000 1.722 578 C CB -1.123 26.653 27.740 0.060 0.000 2.017 578 C HN 0.505 nan 8.230 nan 0.000 0.488 579 I N 0.008 120.623 120.570 0.075 0.000 2.233 579 I HA -0.210 3.959 4.170 -0.002 0.000 0.243 579 I C 2.676 178.874 176.117 0.135 0.000 1.093 579 I CA 1.401 62.778 61.300 0.128 0.000 1.380 579 I CB -0.667 37.460 38.000 0.212 0.000 1.067 579 I HN 0.407 nan 8.210 nan 0.000 0.413 580 Q N 0.484 120.345 119.800 0.103 0.000 2.181 580 Q HA -0.256 4.083 4.340 -0.002 0.000 0.205 580 Q C 1.643 177.711 176.000 0.112 0.000 0.980 580 Q CA 1.750 57.628 55.803 0.125 0.000 0.862 580 Q CB -0.040 28.769 28.738 0.118 0.000 0.905 580 Q HN 0.452 nan 8.270 nan 0.000 0.429 581 D N -0.745 119.711 120.400 0.093 0.000 2.097 581 D HA -0.109 4.530 4.640 -0.002 0.000 0.195 581 D C 1.876 178.222 176.300 0.078 0.000 0.989 581 D CA 1.225 55.260 54.000 0.058 0.000 0.827 581 D CB -0.001 40.821 40.800 0.035 0.000 0.966 581 D HN 0.010 nan 8.370 nan 0.000 0.456 582 S N -0.495 115.270 115.700 0.109 0.000 2.387 582 S HA -0.015 4.454 4.470 -0.002 0.000 0.226 582 S C 2.038 176.763 174.600 0.208 0.000 1.026 582 S CA 0.263 58.555 58.200 0.154 0.000 0.972 582 S CB -0.135 63.169 63.200 0.173 0.000 0.814 582 S HN 0.219 nan 8.310 nan 0.000 0.477 583 L N 1.342 122.681 121.223 0.194 0.000 2.013 583 L HA -0.176 4.163 4.340 -0.002 0.000 0.212 583 L C 2.201 179.196 176.870 0.209 0.000 1.073 583 L CA 1.258 56.227 54.840 0.215 0.000 0.753 583 L CB -0.655 41.507 42.059 0.171 0.000 0.890 583 L HN 0.330 nan 8.230 nan 0.000 0.432 584 L N -1.197 120.117 121.223 0.152 0.000 2.093 584 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 584 L C 2.504 179.464 176.870 0.150 0.000 1.085 584 L CA 0.833 55.749 54.840 0.126 0.000 0.755 584 L CB -0.682 41.415 42.059 0.064 0.000 0.904 584 L HN 0.133 nan 8.230 nan 0.000 0.435 585 V N 0.412 120.418 119.914 0.153 0.000 2.427 585 V HA -0.146 3.973 4.120 -0.002 0.000 0.248 585 V C 2.706 178.937 176.094 0.228 0.000 1.051 585 V CA 1.777 64.190 62.300 0.189 0.000 1.048 585 V CB -1.282 30.653 31.823 0.188 0.000 0.666 585 V HN 0.531 nan 8.190 nan 0.000 0.456 586 G N -0.424 108.522 108.800 0.243 0.000 2.545 586 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.217 586 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.217 586 G C 1.445 176.569 174.900 0.374 0.000 1.218 586 G CA 1.064 46.315 45.100 0.251 0.000 0.787 586 G HN 0.538 nan 8.290 nan 0.000 0.571 587 Q N -0.218 119.781 119.800 0.332 0.000 2.217 587 Q HA -0.067 4.272 4.340 -0.002 0.000 0.209 587 Q C 2.652 178.812 176.000 0.267 0.000 0.988 587 Q CA 1.007 56.983 55.803 0.289 0.000 0.878 587 Q CB -0.261 28.595 28.738 0.195 0.000 0.909 587 Q HN 0.474 nan 8.270 nan 0.000 0.424 588 L N -0.947 120.440 121.223 0.274 0.000 2.095 588 L HA -0.111 4.228 4.340 -0.002 0.000 0.204 588 L C 2.199 179.275 176.870 0.344 0.000 1.080 588 L CA 0.703 55.739 54.840 0.325 0.000 0.759 588 L CB -0.321 41.952 42.059 0.355 0.000 0.914 588 L HN 0.214 nan 8.230 nan 0.000 0.439 589 F N 0.215 120.213 119.950 0.080 0.000 2.171 589 F HA -0.248 4.278 4.527 -0.002 0.000 0.300 589 F C 1.920 177.563 175.800 -0.261 0.000 1.090 589 F CA 1.616 59.537 58.000 -0.132 0.000 1.293 589 F CB -0.078 38.685 39.000 -0.396 0.000 1.013 589 F HN -0.086 nan 8.300 nan 0.000 0.486 590 F N -0.226 119.863 119.950 0.231 0.000 2.743 590 F HA 0.072 4.598 4.527 -0.002 0.000 0.297 590 F C 2.082 177.883 175.800 0.002 0.000 1.131 590 F CA 0.377 58.452 58.000 0.125 0.000 1.426 590 F CB -0.322 38.750 39.000 0.120 0.000 1.116 590 F HN -0.163 nan 8.300 nan 0.000 0.583 591 K N 0.631 121.075 120.400 0.074 0.000 2.007 591 K HA -0.051 4.268 4.320 -0.002 0.000 0.206 591 K C 1.347 177.735 176.600 -0.352 0.000 1.047 591 K CA 1.823 57.984 56.287 -0.211 0.000 0.937 591 K CB -0.456 31.800 32.500 -0.405 0.000 0.718 591 K HN 0.185 nan 8.250 nan 0.000 0.438 592 F N 0.526 120.431 119.950 -0.075 0.000 2.749 592 F HA 0.301 4.827 4.527 -0.002 0.000 0.300 592 F C -0.033 175.618 175.800 -0.248 0.000 1.103 592 F CA -0.195 57.724 58.000 -0.135 0.000 1.342 592 F CB 0.056 38.984 39.000 -0.119 0.000 1.098 592 F HN -0.123 nan 8.300 nan 0.000 0.586 593 L N 0.941 122.031 121.223 -0.222 0.000 3.854 593 L HA -0.255 4.084 4.340 -0.002 0.000 0.460 593 L C -1.622 174.978 176.870 -0.450 0.000 1.228 593 L CA -0.615 54.014 54.840 -0.351 0.000 0.760 593 L CB -1.361 40.578 42.059 -0.201 0.000 1.597 593 L HN 0.066 nan 8.230 nan 0.000 0.852 594 P HA -0.199 nan 4.420 nan 0.000 0.215 594 P C 1.458 178.619 177.300 -0.232 0.000 1.157 594 P CA 2.189 65.111 63.100 -0.298 0.000 0.863 594 P CB -0.148 31.398 31.700 -0.256 0.000 0.787 595 H N -0.769 118.141 119.070 -0.267 0.000 2.431 595 H HA -0.101 4.454 4.556 -0.002 0.000 0.297 595 H C 1.984 177.233 175.328 -0.132 0.000 1.115 595 H CA 0.980 56.996 56.048 -0.053 0.000 1.277 595 H CB -1.402 28.375 29.762 0.025 0.000 1.372 595 H HN 0.091 nan 8.280 nan 0.000 0.516 596 L N 0.437 121.178 121.223 -0.803 0.000 2.131 596 L HA -0.064 4.275 4.340 -0.002 0.000 0.206 596 L C 2.493 179.172 176.870 -0.318 0.000 1.087 596 L CA 1.148 55.654 54.840 -0.557 0.000 0.767 596 L CB -0.351 41.369 42.059 -0.566 0.000 0.917 596 L HN 0.408 nan 8.230 nan 0.000 0.441 597 E N 0.525 120.565 120.200 -0.267 0.000 2.097 597 E HA -0.241 4.108 4.350 -0.002 0.000 0.196 597 E C 2.280 178.779 176.600 -0.168 0.000 1.000 597 E CA 1.264 57.555 56.400 -0.182 0.000 0.804 597 E CB -0.161 29.448 29.700 -0.152 0.000 0.740 597 E HN 0.451 nan 8.360 nan 0.000 0.454 598 L N 0.855 121.979 121.223 -0.165 0.000 2.044 598 L HA -0.146 4.193 4.340 -0.002 0.000 0.205 598 L C 2.625 179.387 176.870 -0.179 0.000 1.075 598 L CA 1.087 55.851 54.840 -0.126 0.000 0.747 598 L CB -0.560 41.467 42.059 -0.055 0.000 0.903 598 L HN 0.099 nan 8.230 nan 0.000 0.435 599 S N 0.855 116.362 115.700 -0.320 0.000 2.372 599 S HA -0.297 4.172 4.470 -0.002 0.000 0.227 599 S C 2.204 176.623 174.600 -0.302 0.000 1.044 599 S CA 1.382 59.219 58.200 -0.606 0.000 1.050 599 S CB -0.735 61.804 63.200 -1.102 0.000 0.901 599 S HN 0.480 nan 8.310 nan 0.000 0.447 600 A N 1.447 124.139 122.820 -0.212 0.000 1.877 600 A HA -0.010 4.309 4.320 -0.002 0.000 0.216 600 A C 2.441 179.976 177.584 -0.082 0.000 1.186 600 A CA 1.649 53.619 52.037 -0.111 0.000 0.620 600 A CB -1.121 17.816 19.000 -0.106 0.000 0.822 600 A HN 0.359 nan 8.150 nan 0.000 0.443 601 V N -0.099 119.754 119.914 -0.102 0.000 2.287 601 V HA -0.287 3.832 4.120 -0.002 0.000 0.248 601 V C 3.054 179.124 176.094 -0.040 0.000 1.053 601 V CA 2.058 64.305 62.300 -0.088 0.000 1.027 601 V CB -1.257 30.507 31.823 -0.098 0.000 0.646 601 V HN 0.651 nan 8.190 nan 0.000 0.447 602 A N 0.343 123.145 122.820 -0.029 0.000 1.841 602 A HA -0.313 4.006 4.320 -0.002 0.000 0.216 602 A C 2.294 179.925 177.584 0.077 0.000 1.199 602 A CA 2.425 54.483 52.037 0.035 0.000 0.621 602 A CB -0.715 18.319 19.000 0.056 0.000 0.835 602 A HN 0.497 nan 8.150 nan 0.000 0.445 603 R N -0.683 119.868 120.500 0.085 0.000 2.140 603 R HA -0.186 4.153 4.340 -0.002 0.000 0.250 603 R C 1.909 178.266 176.300 0.095 0.000 1.150 603 R CA 2.115 58.287 56.100 0.119 0.000 0.966 603 R CB -0.623 29.747 30.300 0.116 0.000 0.869 603 R HN 0.487 nan 8.270 nan 0.000 0.445 604 L N -0.922 120.335 121.223 0.057 0.000 2.162 604 L HA 0.215 4.554 4.340 -0.002 0.000 0.205 604 L C 1.983 178.917 176.870 0.106 0.000 1.086 604 L CA 1.662 56.545 54.840 0.072 0.000 0.778 604 L CB -0.181 41.877 42.059 -0.003 0.000 0.928 604 L HN 0.267 nan 8.230 nan 0.000 0.446 605 A N -1.032 121.830 122.820 0.069 0.000 2.178 605 A HA 0.364 4.683 4.320 -0.002 0.000 0.211 605 A C 1.573 179.221 177.584 0.107 0.000 1.157 605 A CA 0.520 52.607 52.037 0.084 0.000 0.780 605 A CB -0.594 18.424 19.000 0.031 0.000 0.828 605 A HN 0.677 nan 8.150 nan 0.000 0.476 606 G N -0.055 108.812 108.800 0.112 0.000 2.225 606 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.264 606 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.264 606 G C 0.043 175.020 174.900 0.128 0.000 1.060 606 G CA 0.506 45.682 45.100 0.127 0.000 0.833 606 G HN 1.466 nan 8.290 nan 0.000 0.498 607 I N -3.522 117.116 120.570 0.113 0.000 2.934 607 I HA 0.587 4.756 4.170 -0.002 0.000 0.306 607 I C 0.148 176.328 176.117 0.104 0.000 1.110 607 I CA -1.572 59.789 61.300 0.102 0.000 1.019 607 I CB 1.859 39.904 38.000 0.076 0.000 1.227 607 I HN 0.074 nan 8.210 nan 0.000 0.434 608 N N 2.746 121.500 118.700 0.090 0.000 2.454 608 N HA 0.009 4.748 4.740 -0.002 0.000 0.254 608 N C 0.904 176.465 175.510 0.085 0.000 1.228 608 N CA 0.015 53.114 53.050 0.082 0.000 0.900 608 N CB 1.320 39.832 38.487 0.042 0.000 1.089 608 N HN 0.917 nan 8.380 nan 0.000 0.449 609 I N 2.959 123.600 120.570 0.118 0.000 2.315 609 I HA -0.272 3.897 4.170 -0.002 0.000 0.251 609 I C 1.542 177.707 176.117 0.079 0.000 1.125 609 I CA 1.351 62.717 61.300 0.110 0.000 1.392 609 I CB -0.068 38.051 38.000 0.199 0.000 1.065 609 I HN 0.630 nan 8.210 nan 0.000 0.424 610 T N 0.516 115.121 114.554 0.085 0.000 3.072 610 T HA -0.061 4.288 4.350 -0.002 0.000 0.266 610 T C 1.645 176.439 174.700 0.156 0.000 1.127 610 T CA 0.844 63.022 62.100 0.129 0.000 1.107 610 T CB -0.206 68.722 68.868 0.099 0.000 0.910 610 T HN 0.405 nan 8.240 nan 0.000 0.513 611 R N -0.033 120.517 120.500 0.085 0.000 2.362 611 R HA 0.174 4.513 4.340 -0.002 0.000 0.227 611 R C 1.753 178.064 176.300 0.019 0.000 0.905 611 R CA 0.238 56.377 56.100 0.065 0.000 1.067 611 R CB 0.294 30.620 30.300 0.043 0.000 1.078 611 R HN 0.106 nan 8.270 nan 0.000 0.516 612 T N 0.796 115.347 114.554 -0.005 0.000 3.113 612 T HA 0.093 4.442 4.350 -0.002 0.000 0.256 612 T C 1.571 176.210 174.700 -0.101 0.000 1.131 612 T CA 0.701 62.776 62.100 -0.042 0.000 1.074 612 T CB 0.154 69.001 68.868 -0.034 0.000 0.944 612 T HN 0.273 nan 8.240 nan 0.000 0.516 613 I N -3.075 117.393 120.570 -0.171 0.000 3.518 613 I HA 0.224 4.393 4.170 -0.002 0.000 0.260 613 I C 1.713 177.599 176.117 -0.385 0.000 1.148 613 I CA 0.009 61.094 61.300 -0.358 0.000 1.440 613 I CB -0.413 37.238 38.000 -0.582 0.000 1.485 613 I HN 0.022 nan 8.210 nan 0.000 0.456 614 Y N 2.409 122.708 120.300 -0.002 0.000 2.243 614 Y HA -0.072 4.477 4.550 -0.002 0.000 0.293 614 Y C 1.556 177.432 175.900 -0.040 0.000 1.124 614 Y CA 1.188 59.280 58.100 -0.014 0.000 1.159 614 Y CB -0.317 38.137 38.460 -0.011 0.000 1.008 614 Y HN 0.180 nan 8.280 nan 0.000 0.527 615 D N -0.357 120.086 120.400 0.071 0.000 2.336 615 D HA 0.231 4.870 4.640 -0.002 0.000 0.229 615 D C 1.287 177.584 176.300 -0.006 0.000 1.061 615 D CA 0.913 54.924 54.000 0.018 0.000 0.875 615 D CB -0.079 40.726 40.800 0.009 0.000 0.904 615 D HN 0.435 nan 8.370 nan 0.000 0.525 616 G N 0.866 109.661 108.800 -0.007 0.000 2.498 616 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.251 616 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.251 616 G C 0.629 175.529 174.900 -0.000 0.000 1.170 616 G CA 0.432 45.528 45.100 -0.006 0.000 0.944 616 G HN 0.290 nan 8.290 nan 0.000 0.567 617 Q N -0.839 118.974 119.800 0.022 0.000 2.389 617 Q HA 0.330 4.669 4.340 -0.002 0.000 0.198 617 Q C 2.597 178.642 176.000 0.074 0.000 0.967 617 Q CA 1.652 57.482 55.803 0.044 0.000 0.863 617 Q CB -0.438 28.339 28.738 0.065 0.000 0.987 617 Q HN 0.715 nan 8.270 nan 0.000 0.557 618 Q N 0.022 119.903 119.800 0.136 0.000 2.364 618 Q HA -0.012 4.327 4.340 -0.002 0.000 0.207 618 Q C 1.704 177.772 176.000 0.112 0.000 0.970 618 Q CA 0.640 56.596 55.803 0.255 0.000 0.888 618 Q CB -0.036 28.932 28.738 0.384 0.000 0.951 618 Q HN 0.245 nan 8.270 nan 0.000 0.469 619 I N 1.096 121.700 120.570 0.057 0.000 2.252 619 I HA -0.233 3.936 4.170 -0.002 0.000 0.245 619 I C 1.890 178.037 176.117 0.049 0.000 1.102 619 I CA 1.316 62.640 61.300 0.039 0.000 1.385 619 I CB 0.022 38.026 38.000 0.006 0.000 1.064 619 I HN 0.031 nan 8.210 nan 0.000 0.414 620 R N -0.651 119.855 120.500 0.011 0.000 2.328 620 R HA -0.034 4.305 4.340 -0.002 0.000 0.207 620 R C 1.515 177.806 176.300 -0.015 0.000 1.056 620 R CA 1.024 57.119 56.100 -0.008 0.000 1.016 620 R CB -0.180 30.091 30.300 -0.048 0.000 0.872 620 R HN 0.318 nan 8.270 nan 0.000 0.471 621 V N -1.113 118.758 119.914 -0.071 0.000 3.250 621 V HA -0.043 4.076 4.120 -0.002 0.000 0.240 621 V C 1.448 177.372 176.094 -0.282 0.000 1.275 621 V CA -0.005 62.197 62.300 -0.163 0.000 1.206 621 V CB -0.368 31.243 31.823 -0.353 0.000 0.976 621 V HN 0.073 nan 8.190 nan 0.000 0.467 622 F N 2.259 121.920 119.950 -0.481 0.000 2.063 622 F HA -0.306 4.220 4.527 -0.002 0.000 0.298 622 F C 2.350 178.098 175.800 -0.087 0.000 1.109 622 F CA 2.744 60.592 58.000 -0.253 0.000 1.212 622 F CB -0.428 38.548 39.000 -0.041 0.000 0.973 622 F HN 0.148 nan 8.300 nan 0.000 0.480 623 T N -0.323 114.331 114.554 0.167 0.000 2.720 623 T HA -0.250 4.099 4.350 -0.002 0.000 0.268 623 T C 2.081 176.771 174.700 -0.016 0.000 1.037 623 T CA 1.644 63.815 62.100 0.118 0.000 1.144 623 T CB -1.054 67.912 68.868 0.163 0.000 0.864 623 T HN 0.445 nan 8.240 nan 0.000 0.444 624 C N 0.868 120.171 119.300 0.005 0.000 2.466 624 C HA 0.134 4.593 4.460 -0.002 0.000 0.278 624 C C 2.610 177.539 174.990 -0.102 0.000 1.288 624 C CA -0.099 58.920 59.018 0.001 0.000 1.722 624 C CB -1.359 26.457 27.740 0.127 0.000 2.017 624 C HN 0.494 nan 8.230 nan 0.000 0.488 625 L N 1.248 122.375 121.223 -0.159 0.000 2.081 625 L HA -0.137 4.202 4.340 -0.002 0.000 0.212 625 L C 2.223 178.953 176.870 -0.234 0.000 1.080 625 L CA 1.815 56.542 54.840 -0.189 0.000 0.754 625 L CB -0.871 41.070 42.059 -0.197 0.000 0.893 625 L HN 0.334 nan 8.230 nan 0.000 0.433 626 L N -0.436 120.583 121.223 -0.341 0.000 2.093 626 L HA -0.154 4.185 4.340 -0.002 0.000 0.208 626 L C 2.718 179.514 176.870 -0.122 0.000 1.085 626 L CA 1.902 56.558 54.840 -0.308 0.000 0.755 626 L CB -0.715 41.128 42.059 -0.361 0.000 0.904 626 L HN 0.399 nan 8.230 nan 0.000 0.435 627 R N -0.590 119.860 120.500 -0.083 0.000 2.061 627 R HA -0.166 4.173 4.340 -0.002 0.000 0.230 627 R C 2.317 178.598 176.300 -0.032 0.000 1.140 627 R CA 1.898 57.979 56.100 -0.033 0.000 0.940 627 R CB -0.698 29.591 30.300 -0.018 0.000 0.839 627 R HN 0.404 nan 8.270 nan 0.000 0.429 628 L N 1.356 122.547 121.223 -0.055 0.000 1.971 628 L HA -0.187 4.152 4.340 -0.002 0.000 0.215 628 L C 2.491 179.364 176.870 0.006 0.000 1.072 628 L CA 2.451 57.266 54.840 -0.041 0.000 0.758 628 L CB -0.928 41.084 42.059 -0.078 0.000 0.889 628 L HN 0.358 nan 8.230 nan 0.000 0.433 629 A N -0.887 121.930 122.820 -0.006 0.000 1.903 629 A HA -0.348 3.971 4.320 -0.002 0.000 0.219 629 A C 2.013 179.664 177.584 0.112 0.000 1.191 629 A CA 2.517 54.596 52.037 0.070 0.000 0.638 629 A CB -1.250 17.733 19.000 -0.029 0.000 0.823 629 A HN 0.624 nan 8.150 nan 0.000 0.451 630 D N -1.614 118.805 120.400 0.031 0.000 2.144 630 D HA -0.057 4.582 4.640 -0.002 0.000 0.200 630 D C 2.160 178.463 176.300 0.005 0.000 0.978 630 D CA 1.245 55.254 54.000 0.014 0.000 0.833 630 D CB -0.154 40.666 40.800 0.033 0.000 0.961 630 D HN 0.413 nan 8.370 nan 0.000 0.470 631 Q N 0.564 120.370 119.800 0.011 0.000 2.047 631 Q HA -0.186 4.153 4.340 -0.002 0.000 0.211 631 Q C 1.679 177.673 176.000 -0.010 0.000 1.005 631 Q CA 1.466 57.269 55.803 0.000 0.000 0.866 631 Q CB -0.041 28.697 28.738 -0.000 0.000 0.938 631 Q HN 0.019 nan 8.270 nan 0.000 0.414 632 K N -1.037 119.378 120.400 0.025 0.000 2.442 632 K HA 0.030 4.349 4.320 -0.002 0.000 0.198 632 K C 0.888 177.372 176.600 -0.195 0.000 1.044 632 K CA 0.951 57.238 56.287 -0.001 0.000 0.948 632 K CB -0.481 32.150 32.500 0.219 0.000 0.762 632 K HN 0.455 nan 8.250 nan 0.000 0.472 633 G N 0.674 109.373 108.800 -0.168 0.000 2.165 633 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.226 633 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.226 633 G C -0.186 174.469 174.900 -0.408 0.000 1.035 633 G CA -0.316 44.624 45.100 -0.266 0.000 0.744 633 G HN 0.201 nan 8.290 nan 0.000 0.501 634 F N -0.691 119.184 119.950 -0.125 0.000 2.450 634 F HA 0.807 5.333 4.527 -0.002 0.000 0.328 634 F C 1.007 176.662 175.800 -0.243 0.000 1.068 634 F CA -1.037 56.872 58.000 -0.152 0.000 1.007 634 F CB 1.329 40.276 39.000 -0.089 0.000 1.251 634 F HN -0.012 nan 8.300 nan 0.000 0.492 635 I N 2.472 123.022 120.570 -0.033 0.000 2.740 635 I HA 0.292 4.461 4.170 -0.002 0.000 0.303 635 I C -1.320 174.864 176.117 0.112 0.000 1.044 635 I CA -1.080 60.139 61.300 -0.136 0.000 1.064 635 I CB 1.904 39.599 38.000 -0.509 0.000 1.249 635 I HN 0.097 nan 8.210 nan 0.000 0.433 636 L N 6.210 127.504 121.223 0.119 0.000 2.262 636 L HA 0.460 4.799 4.340 -0.002 0.000 0.288 636 L C -2.125 174.801 176.870 0.094 0.000 1.035 636 L CA -2.193 52.691 54.840 0.073 0.000 0.820 636 L CB -0.005 42.048 42.059 -0.011 0.000 1.204 636 L HN 0.210 nan 8.230 nan 0.000 0.424 637 P HA 0.108 nan 4.420 nan 0.000 0.272 637 P C -0.527 176.663 177.300 -0.184 0.000 1.248 637 P CA -0.192 62.631 63.100 -0.462 0.000 0.799 637 P CB 1.330 32.740 31.700 -0.482 0.000 0.997 638 D N -1.421 118.859 120.400 -0.200 0.000 2.525 638 D HA 0.160 4.799 4.640 -0.002 0.000 0.249 638 D C -0.126 176.104 176.300 -0.117 0.000 1.072 638 D CA -0.169 53.773 54.000 -0.098 0.000 1.067 638 D CB 0.396 41.159 40.800 -0.063 0.000 1.282 638 D HN 0.268 nan 8.370 nan 0.000 0.587 639 T N -0.185 114.311 114.554 -0.096 0.000 2.528 639 T HA 0.088 4.437 4.350 -0.002 0.000 0.221 639 T C 0.213 174.849 174.700 -0.107 0.000 1.164 639 T CA 0.484 62.524 62.100 -0.100 0.000 3.024 639 T CB -0.288 68.539 68.868 -0.068 0.000 0.957 639 T HN 0.338 nan 8.240 nan 0.000 0.370 702 L N 3.112 124.358 121.223 0.038 0.000 2.489 702 L HA 0.643 4.982 4.340 -0.002 0.000 0.257 702 L C -0.834 176.054 176.870 0.031 0.000 1.215 702 L CA -0.141 54.728 54.840 0.050 0.000 0.915 702 L CB 1.310 43.403 42.059 0.057 0.000 1.146 702 L HN 0.571 nan 8.230 nan 0.000 0.494 703 D N 0.472 120.906 120.400 0.057 0.000 2.798 703 D HA 0.587 5.226 4.640 -0.002 0.000 0.308 703 D C -2.905 173.497 176.300 0.170 0.000 1.187 703 D CA -1.683 52.369 54.000 0.086 0.000 1.033 703 D CB 0.406 41.233 40.800 0.045 0.000 1.445 703 D HN -0.087 nan 8.370 nan 0.000 0.550 704 P HA 0.216 nan 4.420 nan 0.000 0.275 704 P C -0.447 176.941 177.300 0.147 0.000 1.228 704 P CA -0.060 63.174 63.100 0.224 0.000 0.786 704 P CB 0.350 32.157 31.700 0.178 0.000 0.927 705 T N 1.623 116.261 114.554 0.141 0.000 2.753 705 T HA 0.260 4.609 4.350 -0.002 0.000 0.297 705 T C 0.505 175.268 174.700 0.105 0.000 0.981 705 T CA -0.306 61.862 62.100 0.113 0.000 0.956 705 T CB -0.005 68.929 68.868 0.111 0.000 0.936 705 T HN 0.497 nan 8.240 nan 0.000 0.463 706 S N 2.956 118.702 115.700 0.078 0.000 2.558 706 S HA 0.603 5.072 4.470 -0.002 0.000 0.288 706 S C 0.534 175.146 174.600 0.020 0.000 1.318 706 S CA -0.132 58.101 58.200 0.055 0.000 1.056 706 S CB 0.536 63.765 63.200 0.048 0.000 0.853 706 S HN 1.161 nan 8.310 nan 0.000 0.505 707 G N 1.269 110.058 108.800 -0.019 0.000 2.328 707 G HA2 0.368 4.326 3.960 -0.002 0.000 0.299 707 G HA3 0.368 4.326 3.960 -0.002 0.000 0.299 707 G C -1.631 173.159 174.900 -0.184 0.000 1.435 707 G CA -1.064 43.965 45.100 -0.119 0.000 0.865 707 G HN 0.835 nan 8.290 nan 0.000 0.601 708 F N 0.966 120.665 119.950 -0.418 0.000 2.425 708 F HA 0.782 5.308 4.527 -0.001 0.000 0.331 708 F C -0.105 175.358 175.800 -0.563 0.000 1.085 708 F CA -0.661 57.100 58.000 -0.398 0.000 1.028 708 F CB 1.513 40.318 39.000 -0.325 0.000 1.177 708 F HN 0.438 nan 8.300 nan 0.000 0.487 709 H N 4.989 123.422 119.070 -1.062 0.000 2.744 709 H HA 0.278 4.833 4.556 -0.002 0.000 0.339 709 H C 0.370 175.223 175.328 -0.792 0.000 1.004 709 H CA -0.329 55.326 56.048 -0.655 0.000 1.257 709 H CB 1.988 31.533 29.762 -0.362 0.000 1.552 709 H HN 0.606 nan 8.280 nan 0.000 0.522 710 V N 0.498 120.221 119.914 -0.318 0.000 3.590 710 V HA 0.201 4.320 4.120 -0.002 0.000 0.265 710 V C 0.518 176.548 176.094 -0.107 0.000 1.239 710 V CA 0.148 62.330 62.300 -0.197 0.000 1.117 710 V CB -0.263 31.518 31.823 -0.070 0.000 0.818 710 V HN 0.332 nan 8.190 nan 0.000 0.451 711 N N 1.471 120.119 118.700 -0.086 0.000 2.495 711 N HA 0.511 5.250 4.740 -0.002 0.000 0.280 711 N C -2.947 172.503 175.510 -0.101 0.000 1.168 711 N CA -1.479 51.521 53.050 -0.083 0.000 0.978 711 N CB 0.811 39.251 38.487 -0.079 0.000 1.191 711 N HN 0.172 nan 8.380 nan 0.000 0.497 712 P HA 0.114 nan 4.420 nan 0.000 0.271 712 P C -1.041 176.173 177.300 -0.143 0.000 1.218 712 P CA -0.168 62.865 63.100 -0.112 0.000 0.780 712 P CB 0.726 32.341 31.700 -0.141 0.000 0.901 713 V N 3.959 123.791 119.914 -0.136 0.000 2.409 713 V HA 0.267 4.386 4.120 -0.002 0.000 0.291 713 V C 0.003 175.901 176.094 -0.327 0.000 1.020 713 V CA -0.625 61.561 62.300 -0.190 0.000 0.848 713 V CB 2.010 33.763 31.823 -0.116 0.000 0.990 713 V HN 0.235 nan 8.190 nan 0.000 0.430 714 V N 5.236 124.916 119.914 -0.390 0.000 2.532 714 V HA 0.544 4.663 4.120 -0.002 0.000 0.295 714 V C -0.168 175.528 176.094 -0.664 0.000 1.041 714 V CA -0.740 61.224 62.300 -0.561 0.000 0.926 714 V CB 1.784 33.218 31.823 -0.647 0.000 0.992 714 V HN 0.540 nan 8.190 nan 0.000 0.457 715 V N 4.646 124.165 119.914 -0.659 0.000 2.304 715 V HA 0.437 4.556 4.120 -0.002 0.000 0.278 715 V C -0.493 175.440 176.094 -0.268 0.000 1.018 715 V CA -0.271 61.787 62.300 -0.403 0.000 0.814 715 V CB 0.615 32.187 31.823 -0.418 0.000 1.021 715 V HN 0.681 nan 8.190 nan 0.000 0.440 716 F N 3.478 123.432 119.950 0.005 0.000 2.411 716 F HA 0.495 5.020 4.527 -0.002 0.000 0.350 716 F C 0.473 176.235 175.800 -0.063 0.000 1.114 716 F CA -0.643 57.318 58.000 -0.065 0.000 1.135 716 F CB 1.334 40.278 39.000 -0.094 0.000 1.120 716 F HN 0.642 nan 8.300 nan 0.000 0.495 717 D N 1.948 122.410 120.400 0.103 0.000 2.481 717 D HA 0.409 5.048 4.640 -0.002 0.000 0.244 717 D C -1.149 175.093 176.300 -0.098 0.000 1.057 717 D CA -0.555 53.465 54.000 0.033 0.000 0.848 717 D CB 1.143 41.984 40.800 0.068 0.000 1.388 717 D HN 0.163 nan 8.370 nan 0.000 0.475 718 F N 1.158 121.101 119.950 -0.012 0.000 2.443 718 F HA 0.457 4.982 4.527 -0.002 0.000 0.353 718 F C 1.022 176.777 175.800 -0.076 0.000 1.101 718 F CA -0.589 57.373 58.000 -0.064 0.000 1.226 718 F CB 1.245 40.166 39.000 -0.132 0.000 1.140 718 F HN 0.507 nan 8.300 nan 0.000 0.557 719 A N 2.386 125.275 122.820 0.115 0.000 2.320 719 A HA 0.457 4.776 4.320 -0.002 0.000 0.287 719 A C 0.427 178.024 177.584 0.021 0.000 1.181 719 A CA -0.254 51.809 52.037 0.044 0.000 0.831 719 A CB -0.354 18.663 19.000 0.028 0.000 1.102 719 A HN 1.247 nan 8.150 nan 0.000 0.513 720 S N 1.364 117.052 115.700 -0.020 0.000 3.378 720 S HA -0.225 4.244 4.470 -0.002 0.000 0.365 720 S C 0.632 175.185 174.600 -0.078 0.000 0.951 720 S CA 0.771 58.943 58.200 -0.047 0.000 1.274 720 S CB -2.180 61.014 63.200 -0.010 0.000 0.915 720 S HN 1.638 nan 8.310 nan 0.000 0.513 721 L N 1.214 122.338 121.223 -0.165 0.000 1.956 721 L HA -0.120 4.219 4.340 -0.002 0.000 0.216 721 L C 2.270 179.034 176.870 -0.176 0.000 1.073 721 L CA 2.185 56.871 54.840 -0.257 0.000 0.762 721 L CB -0.898 40.889 42.059 -0.453 0.000 0.889 721 L HN 0.650 nan 8.230 nan 0.000 0.433 722 Y N -0.244 119.932 120.300 -0.207 0.000 2.097 722 Y HA -0.212 4.336 4.550 -0.002 0.000 0.282 722 Y C -0.014 175.826 175.900 -0.099 0.000 1.152 722 Y CA 1.018 58.977 58.100 -0.236 0.000 1.136 722 Y CB -1.907 36.276 38.460 -0.461 0.000 0.975 722 Y HN 0.341 nan 8.280 nan 0.000 0.498 723 P HA -0.168 nan 4.420 nan 0.000 0.218 723 P C 1.557 178.880 177.300 0.038 0.000 1.148 723 P CA 2.258 65.418 63.100 0.100 0.000 0.822 723 P CB -0.187 31.575 31.700 0.103 0.000 0.784 724 S N -1.088 114.609 115.700 -0.004 0.000 2.406 724 S HA -0.065 4.404 4.470 -0.002 0.000 0.228 724 S C 2.014 176.558 174.600 -0.092 0.000 1.020 724 S CA 0.665 58.838 58.200 -0.045 0.000 0.965 724 S CB -1.491 61.674 63.200 -0.058 0.000 0.798 724 S HN 0.045 nan 8.310 nan 0.000 0.488 725 I N 2.027 122.544 120.570 -0.088 0.000 2.142 725 I HA -0.177 3.992 4.170 -0.002 0.000 0.240 725 I C 2.471 178.561 176.117 -0.044 0.000 1.078 725 I CA 1.508 62.763 61.300 -0.074 0.000 1.343 725 I CB -0.578 37.407 38.000 -0.026 0.000 1.046 725 I HN 0.286 nan 8.210 nan 0.000 0.405 726 I N 0.423 120.976 120.570 -0.029 0.000 2.113 726 I HA -0.401 3.768 4.170 -0.002 0.000 0.242 726 I C 2.713 178.801 176.117 -0.048 0.000 1.064 726 I CA 1.846 63.120 61.300 -0.044 0.000 1.320 726 I CB -0.669 37.326 38.000 -0.008 0.000 1.028 726 I HN 0.427 nan 8.210 nan 0.000 0.406 727 Q N 1.034 120.812 119.800 -0.038 0.000 1.990 727 Q HA -0.195 4.144 4.340 -0.002 0.000 0.200 727 Q C 2.407 178.368 176.000 -0.065 0.000 0.980 727 Q CA 1.949 57.727 55.803 -0.040 0.000 0.832 727 Q CB -0.151 28.574 28.738 -0.021 0.000 0.897 727 Q HN 0.493 nan 8.270 nan 0.000 0.427 728 A N 0.505 123.254 122.820 -0.119 0.000 1.884 728 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 728 A C 1.180 178.634 177.584 -0.217 0.000 1.197 728 A CA 1.973 53.887 52.037 -0.204 0.000 0.637 728 A CB -1.091 17.703 19.000 -0.343 0.000 0.827 728 A HN 0.659 nan 8.150 nan 0.000 0.450 729 H N -1.279 117.752 119.070 -0.066 0.000 2.660 729 H HA 0.175 4.730 4.556 -0.002 0.000 0.310 729 H C 0.311 175.582 175.328 -0.096 0.000 1.080 729 H CA -0.068 55.930 56.048 -0.082 0.000 1.145 729 H CB -0.334 29.342 29.762 -0.144 0.000 1.432 729 H HN 0.536 nan 8.280 nan 0.000 0.542 730 N N 1.339 120.055 118.700 0.027 0.000 2.701 730 N HA -0.194 4.545 4.740 -0.002 0.000 0.257 730 N C -1.076 174.430 175.510 -0.007 0.000 0.969 730 N CA 0.310 53.366 53.050 0.009 0.000 0.786 730 N CB -0.811 37.697 38.487 0.036 0.000 0.917 730 N HN 0.474 nan 8.380 nan 0.000 0.541 731 L N -0.170 120.999 121.223 -0.091 0.000 2.275 731 L HA 0.509 4.848 4.340 -0.002 0.000 0.288 731 L C 0.628 177.411 176.870 -0.145 0.000 1.046 731 L CA -0.586 54.153 54.840 -0.167 0.000 0.805 731 L CB 1.233 43.049 42.059 -0.405 0.000 1.193 731 L HN 0.399 nan 8.230 nan 0.000 0.426 732 C N 2.028 121.280 119.300 -0.081 0.000 3.320 732 C HA 0.411 4.870 4.460 -0.002 0.000 0.335 732 C C 1.274 176.024 174.990 -0.400 0.000 1.430 732 C CA -0.574 58.225 59.018 -0.365 0.000 1.271 732 C CB 0.934 28.521 27.740 -0.255 0.000 1.609 732 C HN 0.813 nan 8.230 nan 0.000 0.457 733 F N 2.021 121.829 119.950 -0.236 0.000 2.171 733 F HA -0.057 4.469 4.527 -0.001 0.000 0.300 733 F C 2.677 178.262 175.800 -0.359 0.000 1.090 733 F CA 1.788 59.512 58.000 -0.460 0.000 1.293 733 F CB -0.575 37.945 39.000 -0.800 0.000 1.013 733 F HN 0.718 nan 8.300 nan 0.000 0.486 734 S N -0.806 114.789 115.700 -0.175 0.000 2.461 734 S HA -0.107 4.362 4.470 -0.002 0.000 0.228 734 S C 1.728 176.355 174.600 0.045 0.000 1.005 734 S CA 1.084 59.189 58.200 -0.159 0.000 0.942 734 S CB -1.072 61.908 63.200 -0.366 0.000 0.776 734 S HN 0.488 nan 8.310 nan 0.000 0.514 735 T N -0.337 114.232 114.554 0.026 0.000 3.040 735 T HA 0.413 4.762 4.350 -0.002 0.000 0.250 735 T C 0.500 175.185 174.700 -0.025 0.000 1.058 735 T CA -0.327 61.803 62.100 0.050 0.000 0.988 735 T CB -0.546 68.357 68.868 0.057 0.000 0.993 735 T HN 0.529 nan 8.240 nan 0.000 0.519 736 L N 0.162 121.326 121.223 -0.098 0.000 2.454 736 L HA 0.841 5.180 4.340 -0.002 0.000 0.256 736 L C -0.383 176.447 176.870 -0.066 0.000 1.136 736 L CA -0.587 53.970 54.840 -0.471 0.000 0.804 736 L CB 1.717 43.333 42.059 -0.739 0.000 1.181 736 L HN 0.088 nan 8.230 nan 0.000 0.469 737 S N 0.303 115.923 115.700 -0.132 0.000 2.543 737 S HA 0.447 4.916 4.470 -0.002 0.000 0.274 737 S C -0.036 174.578 174.600 0.023 0.000 1.149 737 S CA -0.747 57.493 58.200 0.067 0.000 0.866 737 S CB 1.202 64.470 63.200 0.112 0.000 1.111 737 S HN 0.763 nan 8.310 nan 0.000 0.457 738 L N 2.672 123.869 121.223 -0.043 0.000 2.585 738 L HA 0.376 4.715 4.340 -0.002 0.000 0.226 738 L C 0.615 177.536 176.870 0.084 0.000 1.113 738 L CA -0.030 54.791 54.840 -0.031 0.000 0.876 738 L CB -0.045 41.950 42.059 -0.107 0.000 1.072 738 L HN 0.328 nan 8.230 nan 0.000 0.468 739 R N 0.322 120.883 120.500 0.103 0.000 2.407 739 R HA 0.486 4.825 4.340 -0.002 0.000 0.303 739 R C 0.693 177.062 176.300 0.114 0.000 0.981 739 R CA 0.077 56.241 56.100 0.107 0.000 0.905 739 R CB 1.581 31.889 30.300 0.014 0.000 1.099 739 R HN -0.105 nan 8.270 nan 0.000 0.459 740 A N 2.653 125.518 122.820 0.075 0.000 1.930 740 A HA -0.074 4.245 4.320 -0.002 0.000 0.215 740 A C 0.687 178.288 177.584 0.028 0.000 1.176 740 A CA 0.897 52.839 52.037 -0.160 0.000 0.632 740 A CB -0.300 18.686 19.000 -0.024 0.000 0.819 740 A HN 0.829 nan 8.150 nan 0.000 0.445 741 D N -1.457 118.970 120.400 0.044 0.000 2.372 741 D HA 0.297 4.936 4.640 -0.002 0.000 0.243 741 D C 0.790 177.128 176.300 0.063 0.000 1.297 741 D CA 0.316 54.330 54.000 0.024 0.000 0.958 741 D CB 0.362 41.139 40.800 -0.038 0.000 1.114 741 D HN 0.944 nan 8.370 nan 0.000 0.496 742 A N -0.895 121.951 122.820 0.043 0.000 2.750 742 A HA -0.160 4.159 4.320 -0.002 0.000 0.298 742 A C 0.794 178.425 177.584 0.079 0.000 1.500 742 A CA 1.089 53.149 52.037 0.038 0.000 0.891 742 A CB -2.136 16.861 19.000 -0.004 0.000 0.972 742 A HN 0.480 nan 8.150 nan 0.000 0.531 743 V N -1.835 118.201 119.914 0.203 0.000 3.023 743 V HA 0.487 4.606 4.120 -0.002 0.000 0.384 743 V C 1.584 177.973 176.094 0.491 0.000 1.289 743 V CA 0.641 63.160 62.300 0.365 0.000 1.383 743 V CB -1.111 30.829 31.823 0.195 0.000 1.388 743 V HN 2.141 nan 8.190 nan 0.000 0.551 744 A N 0.080 123.091 122.820 0.318 0.000 2.829 744 A HA -0.327 3.992 4.320 -0.002 0.000 0.267 744 A C 0.797 178.519 177.584 0.231 0.000 1.370 744 A CA 1.193 53.380 52.037 0.251 0.000 0.900 744 A CB -2.583 16.630 19.000 0.355 0.000 1.044 744 A HN 1.048 nan 8.150 nan 0.000 0.691 745 H N -0.875 118.262 119.070 0.112 0.000 1.478 745 H HA -0.045 4.510 4.556 -0.002 0.000 0.331 745 H C 0.715 176.062 175.328 0.032 0.000 0.763 745 H CA 1.604 57.698 56.048 0.077 0.000 1.113 745 H CB -0.928 28.850 29.762 0.026 0.000 1.461 745 H HN 0.645 nan 8.280 nan 0.000 0.248 746 L N 1.107 122.315 121.223 -0.026 0.000 2.642 746 L HA 0.306 4.645 4.340 -0.002 0.000 0.229 746 L C 0.968 177.491 176.870 -0.580 0.000 1.179 746 L CA -0.571 54.163 54.840 -0.176 0.000 0.834 746 L CB 0.464 42.491 42.059 -0.053 0.000 1.515 746 L HN 0.431 nan 8.230 nan 0.000 0.512 747 E N -0.272 119.528 120.200 -0.666 0.000 2.207 747 E HA 0.515 4.864 4.350 -0.002 0.000 0.270 747 E C -0.769 175.286 176.600 -0.909 0.000 0.927 747 E CA -0.900 55.091 56.400 -0.683 0.000 0.799 747 E CB 1.915 31.419 29.700 -0.328 0.000 1.172 747 E HN 0.594 nan 8.360 nan 0.000 0.404 748 A N 1.338 123.788 122.820 -0.616 0.000 2.433 748 A HA 0.418 4.737 4.320 -0.002 0.000 0.250 748 A C 1.258 178.761 177.584 -0.135 0.000 1.113 748 A CA 0.791 52.654 52.037 -0.289 0.000 0.794 748 A CB -0.657 18.304 19.000 -0.065 0.000 1.067 748 A HN 0.858 nan 8.150 nan 0.000 0.510 749 G N 0.070 108.882 108.800 0.021 0.000 4.430 749 G HA2 -0.422 3.537 3.960 -0.002 0.000 0.332 749 G HA3 -0.422 3.537 3.960 -0.002 0.000 0.332 749 G C 1.343 176.279 174.900 0.060 0.000 1.338 749 G CA 1.182 46.309 45.100 0.044 0.000 1.024 749 G HN 0.861 nan 8.290 nan 0.000 0.750 750 K N 0.424 120.835 120.400 0.017 0.000 2.020 750 K HA -0.084 4.235 4.320 -0.002 0.000 0.212 750 K C 1.951 178.667 176.600 0.192 0.000 1.050 750 K CA 1.954 58.281 56.287 0.065 0.000 0.929 750 K CB -0.237 32.276 32.500 0.021 0.000 0.714 750 K HN 0.528 nan 8.250 nan 0.000 0.443 751 D N -1.656 118.813 120.400 0.115 0.000 2.366 751 D HA 0.000 4.639 4.640 -0.002 0.000 0.205 751 D C -0.205 176.230 176.300 0.225 0.000 1.022 751 D CA 0.553 54.625 54.000 0.120 0.000 0.868 751 D CB 0.260 41.049 40.800 -0.017 0.000 0.953 751 D HN 0.043 nan 8.370 nan 0.000 0.514 752 Y N 0.770 121.064 120.300 -0.010 0.000 2.364 752 Y HA 0.337 4.887 4.550 -0.002 0.000 0.340 752 Y C 0.324 176.272 175.900 0.080 0.000 0.975 752 Y CA -1.633 56.474 58.100 0.011 0.000 1.089 752 Y CB 1.120 39.585 38.460 0.010 0.000 1.192 752 Y HN -0.204 nan 8.280 nan 0.000 0.454 753 L N 3.081 124.448 121.223 0.241 0.000 2.475 753 L HA 0.318 4.657 4.340 -0.002 0.000 0.253 753 L C -0.408 176.609 176.870 0.245 0.000 1.198 753 L CA -0.423 54.535 54.840 0.197 0.000 0.814 753 L CB 0.870 43.018 42.059 0.148 0.000 1.134 753 L HN 0.872 nan 8.230 nan 0.000 0.478 754 E N 2.491 122.797 120.200 0.176 0.000 2.565 754 E HA 0.525 4.874 4.350 -0.002 0.000 0.343 754 E C -1.371 175.262 176.600 0.055 0.000 0.968 754 E CA -0.200 56.308 56.400 0.180 0.000 0.773 754 E CB 0.212 30.046 29.700 0.224 0.000 1.513 754 E HN 0.389 nan 8.360 nan 0.000 0.384 755 I N 0.770 121.324 120.570 -0.026 0.000 2.722 755 I HA 0.315 4.484 4.170 -0.002 0.000 0.295 755 I C -0.406 175.653 176.117 -0.096 0.000 1.161 755 I CA -1.311 59.961 61.300 -0.048 0.000 1.032 755 I CB 2.506 40.483 38.000 -0.038 0.000 1.244 755 I HN 0.369 nan 8.210 nan 0.000 0.421 756 E N 3.968 124.129 120.200 -0.065 0.000 1.852 756 E HA 0.209 4.557 4.350 -0.002 0.000 0.276 756 E C 0.369 176.934 176.600 -0.059 0.000 1.163 756 E CA -0.268 56.093 56.400 -0.066 0.000 1.117 756 E CB 0.495 30.173 29.700 -0.037 0.000 1.124 756 E HN 0.395 nan 8.360 nan 0.000 0.458 757 V N 1.801 121.673 119.914 -0.070 0.000 2.283 757 V HA -0.092 4.027 4.120 -0.002 0.000 0.222 757 V C 1.581 177.647 176.094 -0.048 0.000 1.035 757 V CA 1.908 64.180 62.300 -0.047 0.000 1.028 757 V CB -0.564 31.248 31.823 -0.017 0.000 0.659 757 V HN 0.710 nan 8.190 nan 0.000 0.468 758 G N -1.343 107.420 108.800 -0.062 0.000 2.992 758 G HA2 0.338 4.297 3.960 -0.002 0.000 0.201 758 G HA3 0.338 4.297 3.960 -0.002 0.000 0.201 758 G C 1.381 176.242 174.900 -0.064 0.000 2.057 758 G CA 0.615 45.679 45.100 -0.060 0.000 0.800 758 G HN 0.620 nan 8.290 nan 0.000 0.700 759 G N 0.097 108.849 108.800 -0.080 0.000 2.587 759 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.217 759 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.217 759 G C 1.217 176.075 174.900 -0.070 0.000 1.240 759 G CA 1.132 46.190 45.100 -0.069 0.000 0.794 759 G HN 0.484 nan 8.290 nan 0.000 0.580 760 R N -1.632 118.812 120.500 -0.094 0.000 3.067 760 R HA 0.607 4.946 4.340 -0.002 0.000 0.222 760 R C 0.059 176.277 176.300 -0.137 0.000 1.551 760 R CA -0.888 55.154 56.100 -0.097 0.000 1.034 760 R CB 0.743 30.987 30.300 -0.093 0.000 1.889 760 R HN 0.055 nan 8.270 nan 0.000 0.526 761 R N 0.684 121.075 120.500 -0.181 0.000 2.410 761 R HA 0.407 4.746 4.340 -0.002 0.000 0.288 761 R C -0.685 175.289 176.300 -0.544 0.000 1.051 761 R CA -0.138 55.763 56.100 -0.332 0.000 1.021 761 R CB 0.565 30.668 30.300 -0.328 0.000 1.032 761 R HN 0.318 nan 8.270 nan 0.000 0.481 762 L N 2.771 123.603 121.223 -0.652 0.000 2.309 762 L HA 0.634 4.973 4.340 -0.002 0.000 0.261 762 L C -1.026 175.285 176.870 -0.933 0.000 1.021 762 L CA -0.946 53.483 54.840 -0.685 0.000 0.823 762 L CB 1.642 43.569 42.059 -0.221 0.000 1.366 762 L HN 0.497 nan 8.230 nan 0.000 0.423 763 F N 0.240 120.047 119.950 -0.239 0.000 2.569 763 F HA 0.561 5.087 4.527 -0.002 0.000 0.312 763 F C -0.838 174.657 175.800 -0.508 0.000 1.109 763 F CA -0.500 57.334 58.000 -0.277 0.000 0.919 763 F CB 1.874 40.625 39.000 -0.415 0.000 1.211 763 F HN 0.042 nan 8.300 nan 0.000 0.446 764 F N 2.001 121.931 119.950 -0.033 0.000 2.499 764 F HA 0.524 5.050 4.527 -0.002 0.000 0.333 764 F C -0.050 175.667 175.800 -0.138 0.000 1.138 764 F CA -1.126 56.824 58.000 -0.083 0.000 0.945 764 F CB 1.470 40.434 39.000 -0.061 0.000 1.181 764 F HN 0.117 nan 8.300 nan 0.000 0.435 765 V N 3.857 123.698 119.914 -0.122 0.000 3.032 765 V HA 0.015 4.134 4.120 -0.002 0.000 0.307 765 V C 0.381 176.439 176.094 -0.061 0.000 1.097 765 V CA -0.111 62.077 62.300 -0.187 0.000 1.191 765 V CB 0.708 32.279 31.823 -0.421 0.000 0.964 765 V HN 0.677 nan 8.190 nan 0.000 0.494 766 K N 2.111 122.436 120.400 -0.126 0.000 2.245 766 K HA 0.651 4.970 4.320 -0.002 0.000 0.234 766 K C 0.899 177.428 176.600 -0.118 0.000 1.021 766 K CA -0.253 55.993 56.287 -0.068 0.000 0.898 766 K CB 0.878 33.401 32.500 0.039 0.000 1.163 766 K HN 0.623 nan 8.250 nan 0.000 0.459 767 A N 0.708 123.554 122.820 0.042 0.000 2.264 767 A HA -0.109 4.210 4.320 -0.002 0.000 0.207 767 A C 1.256 178.914 177.584 0.123 0.000 1.196 767 A CA 1.170 53.249 52.037 0.069 0.000 0.778 767 A CB -1.198 17.850 19.000 0.081 0.000 0.779 767 A HN 0.851 nan 8.150 nan 0.000 0.483 768 H N -3.878 115.210 119.070 0.031 0.000 2.406 768 H HA 0.197 4.752 4.556 -0.002 0.000 0.304 768 H C 1.630 176.984 175.328 0.044 0.000 1.042 768 H CA 0.582 56.649 56.048 0.032 0.000 1.360 768 H CB -0.265 29.512 29.762 0.025 0.000 1.448 768 H HN 0.082 nan 8.280 nan 0.000 0.553 769 V N -0.147 119.630 119.914 -0.228 0.000 2.283 769 V HA -0.023 4.096 4.120 -0.002 0.000 0.243 769 V C 0.877 176.983 176.094 0.020 0.000 1.039 769 V CA 1.433 63.672 62.300 -0.101 0.000 1.016 769 V CB -0.386 31.305 31.823 -0.221 0.000 0.650 769 V HN 0.225 nan 8.190 nan 0.000 0.449 770 R N -0.117 120.373 120.500 -0.017 0.000 2.535 770 R HA 0.355 4.694 4.340 -0.002 0.000 0.274 770 R C -1.191 175.127 176.300 0.031 0.000 1.090 770 R CA -0.379 55.764 56.100 0.072 0.000 0.930 770 R CB 1.832 32.218 30.300 0.144 0.000 1.223 770 R HN 0.576 nan 8.270 nan 0.000 0.441 771 E N 1.964 122.196 120.200 0.053 0.000 2.175 771 E HA 0.345 4.694 4.350 -0.002 0.000 0.278 771 E C -0.754 175.860 176.600 0.023 0.000 0.969 771 E CA -0.873 55.545 56.400 0.031 0.000 0.796 771 E CB 1.896 31.614 29.700 0.029 0.000 1.104 771 E HN 0.335 nan 8.360 nan 0.000 0.395 772 S N 4.097 119.795 115.700 -0.004 0.000 2.546 772 S HA -0.029 4.440 4.470 -0.002 0.000 0.290 772 S C 1.140 175.702 174.600 -0.063 0.000 1.290 772 S CA -0.496 57.679 58.200 -0.042 0.000 1.069 772 S CB 0.116 63.281 63.200 -0.057 0.000 0.846 772 S HN 0.678 nan 8.310 nan 0.000 0.495 773 L N 4.800 125.972 121.223 -0.085 0.000 2.079 773 L HA -0.155 4.184 4.340 -0.002 0.000 0.210 773 L C 2.167 178.975 176.870 -0.103 0.000 1.081 773 L CA 1.244 56.036 54.840 -0.079 0.000 0.752 773 L CB -0.651 41.367 42.059 -0.068 0.000 0.896 773 L HN 0.720 nan 8.230 nan 0.000 0.433 774 L N -1.225 119.929 121.223 -0.115 0.000 2.023 774 L HA -0.142 4.197 4.340 -0.002 0.000 0.205 774 L C 2.762 179.577 176.870 -0.093 0.000 1.073 774 L CA 0.858 55.642 54.840 -0.094 0.000 0.745 774 L CB -0.749 41.248 42.059 -0.102 0.000 0.900 774 L HN 0.130 nan 8.230 nan 0.000 0.435 775 S N 0.566 116.217 115.700 -0.082 0.000 2.393 775 S HA -0.276 4.193 4.470 -0.002 0.000 0.235 775 S C 1.930 176.480 174.600 -0.085 0.000 1.061 775 S CA 2.046 60.208 58.200 -0.064 0.000 1.129 775 S CB -0.490 62.680 63.200 -0.050 0.000 1.011 775 S HN 0.271 nan 8.310 nan 0.000 0.436 776 I N 1.073 121.579 120.570 -0.106 0.000 2.113 776 I HA -0.211 3.958 4.170 -0.002 0.000 0.238 776 I C 2.245 178.208 176.117 -0.256 0.000 1.070 776 I CA 1.153 62.370 61.300 -0.138 0.000 1.332 776 I CB -0.523 37.409 38.000 -0.114 0.000 1.044 776 I HN 0.247 nan 8.210 nan 0.000 0.402 777 L N 0.281 121.293 121.223 -0.353 0.000 2.010 777 L HA -0.309 4.030 4.340 -0.002 0.000 0.219 777 L C 2.622 179.053 176.870 -0.731 0.000 1.077 777 L CA 1.796 56.190 54.840 -0.744 0.000 0.773 777 L CB -0.651 40.977 42.059 -0.718 0.000 0.892 777 L HN 0.314 nan 8.230 nan 0.000 0.436 778 L N -1.033 120.058 121.223 -0.220 0.000 2.044 778 L HA -0.191 4.147 4.340 -0.002 0.000 0.205 778 L C 2.860 179.772 176.870 0.070 0.000 1.075 778 L CA 1.059 55.962 54.840 0.105 0.000 0.747 778 L CB -0.490 41.645 42.059 0.127 0.000 0.903 778 L HN 0.250 nan 8.230 nan 0.000 0.435 779 R N 0.360 120.847 120.500 -0.021 0.000 2.094 779 R HA -0.222 4.117 4.340 -0.002 0.000 0.239 779 R C 1.822 178.118 176.300 -0.006 0.000 1.137 779 R CA 2.309 58.404 56.100 -0.008 0.000 0.943 779 R CB -0.326 29.955 30.300 -0.032 0.000 0.850 779 R HN 0.304 nan 8.270 nan 0.000 0.433 780 D N -0.449 119.896 120.400 -0.093 0.000 2.123 780 D HA -0.203 4.436 4.640 -0.002 0.000 0.196 780 D C 1.657 177.976 176.300 0.032 0.000 0.992 780 D CA 1.020 54.960 54.000 -0.100 0.000 0.833 780 D CB -0.350 40.302 40.800 -0.248 0.000 0.954 780 D HN 0.389 nan 8.370 nan 0.000 0.455 781 W N 0.700 121.998 121.300 -0.004 0.000 2.436 781 W HA 0.122 4.781 4.660 -0.002 0.000 0.284 781 W C 2.144 178.661 176.519 -0.003 0.000 1.225 781 W CA 0.135 57.477 57.345 -0.004 0.000 1.271 781 W CB -0.792 28.664 29.460 -0.006 0.000 1.114 781 W HN 0.063 nan 8.180 nan 0.000 0.559 782 L N -0.185 121.176 121.223 0.230 0.000 2.131 782 L HA -0.074 4.265 4.340 -0.002 0.000 0.206 782 L C 2.613 179.535 176.870 0.088 0.000 1.087 782 L CA 1.219 56.135 54.840 0.127 0.000 0.767 782 L CB -1.197 40.916 42.059 0.090 0.000 0.917 782 L HN -0.188 nan 8.230 nan 0.000 0.441 783 A N -0.310 122.555 122.820 0.075 0.000 1.972 783 A HA -0.213 4.106 4.320 -0.002 0.000 0.219 783 A C 2.313 179.934 177.584 0.061 0.000 1.169 783 A CA 1.572 53.640 52.037 0.051 0.000 0.635 783 A CB -0.393 18.626 19.000 0.032 0.000 0.810 783 A HN 0.322 nan 8.150 nan 0.000 0.446 784 M N -1.724 117.932 119.600 0.093 0.000 2.156 784 M HA -0.095 4.384 4.480 -0.002 0.000 0.264 784 M C 2.441 178.785 176.300 0.074 0.000 1.067 784 M CA 1.633 56.991 55.300 0.096 0.000 1.131 784 M CB -0.230 32.463 32.600 0.154 0.000 1.368 784 M HN 0.483 nan 8.290 nan 0.000 0.416 785 R N 0.730 121.275 120.500 0.076 0.000 2.070 785 R HA -0.204 4.135 4.340 -0.002 0.000 0.233 785 R C 2.183 178.502 176.300 0.032 0.000 1.137 785 R CA 1.892 58.018 56.100 0.043 0.000 0.945 785 R CB -0.187 30.134 30.300 0.035 0.000 0.845 785 R HN 0.202 nan 8.270 nan 0.000 0.430 786 K N -0.019 120.402 120.400 0.035 0.000 2.209 786 K HA -0.189 4.130 4.320 -0.002 0.000 0.204 786 K C 2.120 178.733 176.600 0.023 0.000 1.048 786 K CA 1.445 57.748 56.287 0.026 0.000 0.940 786 K CB 0.031 32.547 32.500 0.026 0.000 0.729 786 K HN 0.204 nan 8.250 nan 0.000 0.451 787 Q N 0.671 120.488 119.800 0.028 0.000 2.137 787 Q HA -0.064 4.275 4.340 -0.002 0.000 0.198 787 Q C 1.999 178.013 176.000 0.022 0.000 0.960 787 Q CA 0.928 56.745 55.803 0.024 0.000 0.847 787 Q CB 0.061 28.815 28.738 0.027 0.000 0.915 787 Q HN 0.423 nan 8.270 nan 0.000 0.448 788 I N 0.465 121.050 120.570 0.025 0.000 2.286 788 I HA -0.281 3.888 4.170 -0.002 0.000 0.248 788 I C 2.467 178.592 176.117 0.014 0.000 1.115 788 I CA 1.118 62.430 61.300 0.020 0.000 1.392 788 I CB -0.083 37.928 38.000 0.020 0.000 1.065 788 I HN 0.110 nan 8.210 nan 0.000 0.418 789 R N 0.184 120.692 120.500 0.013 0.000 2.119 789 R HA -0.074 4.265 4.340 -0.002 0.000 0.222 789 R C 2.462 178.767 176.300 0.009 0.000 1.088 789 R CA 1.492 57.597 56.100 0.009 0.000 0.984 789 R CB -0.412 29.893 30.300 0.008 0.000 0.884 789 R HN 0.434 nan 8.270 nan 0.000 0.447 790 S N 0.783 116.490 115.700 0.011 0.000 2.442 790 S HA -0.097 4.372 4.470 -0.002 0.000 0.236 790 S C 1.852 176.457 174.600 0.009 0.000 1.007 790 S CA 0.748 58.954 58.200 0.010 0.000 0.965 790 S CB -0.112 63.095 63.200 0.011 0.000 0.773 790 S HN 0.283 nan 8.310 nan 0.000 0.504 791 R N 0.147 120.653 120.500 0.010 0.000 2.189 791 R HA 0.271 4.610 4.340 -0.002 0.000 0.203 791 R C 2.003 178.308 176.300 0.008 0.000 1.012 791 R CA 0.555 56.661 56.100 0.010 0.000 1.015 791 R CB -0.292 30.016 30.300 0.012 0.000 0.938 791 R HN 0.376 nan 8.270 nan 0.000 0.472 792 I N 2.340 122.914 120.570 0.007 0.000 2.113 792 I HA -0.245 3.924 4.170 -0.002 0.000 0.242 792 I C -0.548 175.572 176.117 0.004 0.000 1.057 792 I CA 1.884 63.187 61.300 0.005 0.000 1.314 792 I CB -2.048 35.954 38.000 0.002 0.000 1.022 792 I HN 0.088 nan 8.210 nan 0.000 0.408 793 P HA -0.155 nan 4.420 nan 0.000 0.221 793 P C 1.209 178.512 177.300 0.004 0.000 1.150 793 P CA 1.282 64.384 63.100 0.004 0.000 0.800 793 P CB -0.200 31.502 31.700 0.003 0.000 0.787 794 Q N -0.175 119.628 119.800 0.005 0.000 2.246 794 Q HA 0.180 4.519 4.340 -0.002 0.000 0.202 794 Q C 0.302 176.306 176.000 0.006 0.000 0.883 794 Q CA -0.315 55.491 55.803 0.006 0.000 0.952 794 Q CB -0.119 28.622 28.738 0.006 0.000 1.078 794 Q HN 0.110 nan 8.270 nan 0.000 0.493 795 S N -0.164 115.540 115.700 0.007 0.000 2.745 795 S HA 0.603 5.072 4.470 -0.002 0.000 0.292 795 S C 0.039 174.644 174.600 0.008 0.000 1.133 795 S CA -0.694 57.511 58.200 0.008 0.000 0.998 795 S CB 1.371 64.577 63.200 0.010 0.000 1.087 795 S HN 0.291 nan 8.310 nan 0.000 0.551 796 S N 2.123 117.828 115.700 0.009 0.000 2.589 796 S HA 0.217 4.686 4.470 -0.002 0.000 0.265 796 S C -1.590 173.015 174.600 0.009 0.000 1.342 796 S CA -0.960 57.245 58.200 0.009 0.000 1.005 796 S CB -0.411 62.795 63.200 0.011 0.000 0.909 796 S HN 0.651 nan 8.310 nan 0.000 0.555 797 P HA -0.239 nan 4.420 nan 0.000 0.216 797 P C 1.539 178.845 177.300 0.010 0.000 1.157 797 P CA 1.531 64.635 63.100 0.007 0.000 0.880 797 P CB -0.098 31.606 31.700 0.007 0.000 0.791 798 E N 0.783 120.992 120.200 0.015 0.000 2.150 798 E HA -0.200 4.149 4.350 -0.002 0.000 0.193 798 E C 1.778 178.391 176.600 0.022 0.000 0.985 798 E CA 1.198 57.611 56.400 0.022 0.000 0.814 798 E CB -0.886 28.830 29.700 0.028 0.000 0.752 798 E HN 0.368 nan 8.360 nan 0.000 0.466 799 E N 0.917 121.129 120.200 0.019 0.000 2.152 799 E HA -0.036 4.313 4.350 -0.002 0.000 0.192 799 E C 2.074 178.682 176.600 0.014 0.000 0.983 799 E CA 0.946 57.358 56.400 0.020 0.000 0.818 799 E CB -0.055 29.655 29.700 0.017 0.000 0.758 799 E HN 0.412 nan 8.360 nan 0.000 0.467 800 A N 1.104 123.929 122.820 0.009 0.000 1.968 800 A HA -0.109 4.210 4.320 -0.002 0.000 0.217 800 A C 2.470 180.053 177.584 -0.001 0.000 1.169 800 A CA 1.202 53.242 52.037 0.004 0.000 0.638 800 A CB -0.613 18.389 19.000 0.002 0.000 0.812 800 A HN 0.238 nan 8.150 nan 0.000 0.446 801 V N -2.074 117.840 119.914 -0.000 0.000 2.515 801 V HA -0.126 3.993 4.120 -0.002 0.000 0.250 801 V C 2.090 178.174 176.094 -0.017 0.000 1.058 801 V CA 1.889 64.184 62.300 -0.009 0.000 1.064 801 V CB -0.814 31.006 31.823 -0.005 0.000 0.675 801 V HN 0.429 nan 8.190 nan 0.000 0.461 802 L N -0.707 120.513 121.223 -0.005 0.000 2.270 802 L HA 0.140 4.479 4.340 -0.002 0.000 0.210 802 L C 2.568 179.434 176.870 -0.008 0.000 1.104 802 L CA 0.800 55.636 54.840 -0.006 0.000 0.804 802 L CB -0.364 41.707 42.059 0.020 0.000 0.937 802 L HN 0.268 nan 8.230 nan 0.000 0.450 803 L N -0.159 121.063 121.223 -0.001 0.000 2.217 803 L HA -0.162 4.177 4.340 -0.002 0.000 0.211 803 L C 2.161 179.024 176.870 -0.012 0.000 1.107 803 L CA 0.843 55.683 54.840 -0.001 0.000 0.783 803 L CB -0.417 41.645 42.059 0.005 0.000 0.919 803 L HN 0.301 nan 8.230 nan 0.000 0.442 804 D N 0.348 120.737 120.400 -0.018 0.000 2.123 804 D HA -0.164 4.475 4.640 -0.002 0.000 0.200 804 D C 2.107 178.384 176.300 -0.038 0.000 0.976 804 D CA 1.184 55.170 54.000 -0.024 0.000 0.831 804 D CB 0.259 41.045 40.800 -0.022 0.000 0.974 804 D HN -0.025 nan 8.370 nan 0.000 0.469 805 K N 0.268 120.638 120.400 -0.049 0.000 2.057 805 K HA -0.100 4.219 4.320 -0.002 0.000 0.206 805 K C 2.331 178.887 176.600 -0.072 0.000 1.050 805 K CA 0.847 57.090 56.287 -0.073 0.000 0.935 805 K CB -0.399 32.042 32.500 -0.099 0.000 0.715 805 K HN 0.417 nan 8.250 nan 0.000 0.439 806 Q N 0.656 120.424 119.800 -0.054 0.000 2.020 806 Q HA -0.182 4.157 4.340 -0.002 0.000 0.202 806 Q C 2.254 178.223 176.000 -0.052 0.000 0.982 806 Q CA 1.297 57.071 55.803 -0.047 0.000 0.838 806 Q CB -0.160 28.568 28.738 -0.018 0.000 0.899 806 Q HN 0.260 nan 8.270 nan 0.000 0.423 807 Q N 0.794 120.573 119.800 -0.036 0.000 2.173 807 Q HA -0.223 4.116 4.340 -0.002 0.000 0.208 807 Q C 1.760 177.729 176.000 -0.052 0.000 0.989 807 Q CA 2.101 57.884 55.803 -0.033 0.000 0.872 807 Q CB -0.206 28.521 28.738 -0.018 0.000 0.909 807 Q HN 0.364 nan 8.270 nan 0.000 0.420 808 A N 0.558 123.343 122.820 -0.059 0.000 1.930 808 A HA 0.151 4.470 4.320 -0.002 0.000 0.215 808 A C 2.394 179.918 177.584 -0.100 0.000 1.176 808 A CA 1.622 53.617 52.037 -0.069 0.000 0.632 808 A CB -0.840 18.123 19.000 -0.060 0.000 0.819 808 A HN 0.527 nan 8.150 nan 0.000 0.445 809 A N 0.396 123.149 122.820 -0.111 0.000 1.917 809 A HA -0.166 4.153 4.320 -0.002 0.000 0.219 809 A C 2.075 179.534 177.584 -0.209 0.000 1.182 809 A CA 1.686 53.636 52.037 -0.144 0.000 0.633 809 A CB -0.700 18.223 19.000 -0.130 0.000 0.819 809 A HN 0.511 nan 8.150 nan 0.000 0.448 810 I N -0.841 119.606 120.570 -0.205 0.000 2.286 810 I HA -0.245 3.924 4.170 -0.002 0.000 0.248 810 I C 2.585 178.532 176.117 -0.283 0.000 1.115 810 I CA 1.573 62.686 61.300 -0.312 0.000 1.392 810 I CB -0.286 37.604 38.000 -0.184 0.000 1.065 810 I HN 0.345 nan 8.210 nan 0.000 0.418 811 K N 0.975 121.275 120.400 -0.167 0.000 2.062 811 K HA -0.111 4.208 4.320 -0.002 0.000 0.205 811 K C 2.128 178.648 176.600 -0.134 0.000 1.051 811 K CA 1.125 57.340 56.287 -0.121 0.000 0.941 811 K CB 0.053 32.509 32.500 -0.074 0.000 0.719 811 K HN 0.130 nan 8.250 nan 0.000 0.440 812 V N 1.065 120.892 119.914 -0.146 0.000 2.392 812 V HA -0.229 3.890 4.120 -0.002 0.000 0.249 812 V C 2.363 178.355 176.094 -0.170 0.000 1.059 812 V CA 1.465 63.685 62.300 -0.134 0.000 1.051 812 V CB -0.208 31.536 31.823 -0.131 0.000 0.658 812 V HN 0.099 nan 8.190 nan 0.000 0.455 813 V N -1.665 118.077 119.914 -0.287 0.000 2.488 813 V HA -0.206 3.913 4.120 -0.002 0.000 0.246 813 V C 2.438 178.312 176.094 -0.368 0.000 1.046 813 V CA 1.859 63.915 62.300 -0.407 0.000 1.053 813 V CB -0.424 30.967 31.823 -0.720 0.000 0.679 813 V HN 0.619 nan 8.190 nan 0.000 0.458 814 C N 0.507 119.618 119.300 -0.315 0.000 2.453 814 C HA -0.083 4.376 4.460 -0.002 0.000 0.277 814 C C 2.506 177.508 174.990 0.020 0.000 1.262 814 C CA 0.676 59.646 59.018 -0.080 0.000 1.718 814 C CB -1.290 26.443 27.740 -0.013 0.000 2.031 814 C HN 0.601 nan 8.230 nan 0.000 0.480 815 N N 1.252 119.946 118.700 -0.009 0.000 2.635 815 N HA -0.064 4.675 4.740 -0.002 0.000 0.191 815 N C 1.528 177.087 175.510 0.083 0.000 1.155 815 N CA 0.752 53.828 53.050 0.043 0.000 0.927 815 N CB -0.218 38.276 38.487 0.012 0.000 0.976 815 N HN 0.504 nan 8.380 nan 0.000 0.448 816 S N -0.386 115.347 115.700 0.054 0.000 2.470 816 S HA -0.006 4.463 4.470 -0.002 0.000 0.222 816 S C 2.187 176.884 174.600 0.163 0.000 1.024 816 S CA 0.190 58.440 58.200 0.084 0.000 0.931 816 S CB 0.168 63.377 63.200 0.015 0.000 0.791 816 S HN 0.343 nan 8.310 nan 0.000 0.513 817 V N 0.196 120.222 119.914 0.187 0.000 2.515 817 V HA -0.147 3.972 4.120 -0.002 0.000 0.250 817 V C 1.914 178.175 176.094 0.277 0.000 1.058 817 V CA 1.512 63.962 62.300 0.250 0.000 1.064 817 V CB -1.107 30.868 31.823 0.253 0.000 0.675 817 V HN 0.487 nan 8.190 nan 0.000 0.461 818 Y N 2.926 123.320 120.300 0.157 0.000 2.070 818 Y HA 0.022 4.571 4.550 -0.002 0.000 0.280 818 Y C 2.522 178.489 175.900 0.110 0.000 1.148 818 Y CA 2.065 60.232 58.100 0.112 0.000 1.125 818 Y CB -1.176 37.374 38.460 0.150 0.000 0.975 818 Y HN 0.260 nan 8.280 nan 0.000 0.492 819 G N -0.003 108.722 108.800 -0.125 0.000 2.513 819 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.219 819 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.219 819 G C 1.715 176.551 174.900 -0.107 0.000 1.160 819 G CA 1.044 46.027 45.100 -0.195 0.000 0.767 819 G HN 0.547 nan 8.290 nan 0.000 0.571 820 F N 1.820 121.721 119.950 -0.081 0.000 2.141 820 F HA -0.168 4.358 4.527 -0.002 0.000 0.300 820 F C 2.730 178.519 175.800 -0.018 0.000 1.079 820 F CA 2.114 60.108 58.000 -0.009 0.000 1.264 820 F CB -0.682 38.362 39.000 0.074 0.000 1.011 820 F HN 0.147 nan 8.300 nan 0.000 0.487 821 T N -0.874 113.547 114.554 -0.222 0.000 2.821 821 T HA -0.016 4.333 4.350 -0.002 0.000 0.267 821 T C 1.784 176.320 174.700 -0.274 0.000 1.046 821 T CA 1.403 63.343 62.100 -0.267 0.000 1.139 821 T CB -0.664 68.085 68.868 -0.197 0.000 0.871 821 T HN 0.381 nan 8.240 nan 0.000 0.454 822 G N 0.359 108.966 108.800 -0.322 0.000 3.337 822 G HA2 0.298 4.257 3.960 -0.002 0.000 0.246 822 G HA3 0.298 4.257 3.960 -0.002 0.000 0.246 822 G C 0.158 174.969 174.900 -0.149 0.000 1.131 822 G CA -0.197 44.763 45.100 -0.233 0.000 0.773 822 G HN 0.373 nan 8.290 nan 0.000 0.544 823 V N 3.032 122.855 119.914 -0.150 0.000 2.381 823 V HA -0.010 4.109 4.120 -0.002 0.000 0.257 823 V C 1.608 177.663 176.094 -0.066 0.000 1.057 823 V CA -0.175 62.075 62.300 -0.083 0.000 1.013 823 V CB 0.713 32.493 31.823 -0.071 0.000 1.069 823 V HN 0.597 nan 8.190 nan 0.000 0.484 824 Q N 3.661 123.456 119.800 -0.008 0.000 2.364 824 Q HA -0.169 4.170 4.340 -0.002 0.000 0.209 824 Q C 0.723 176.716 176.000 -0.013 0.000 0.977 824 Q CA 1.561 57.373 55.803 0.014 0.000 0.885 824 Q CB -0.039 28.760 28.738 0.102 0.000 0.941 824 Q HN 0.878 nan 8.270 nan 0.000 0.464 825 H N -0.522 118.510 119.070 -0.064 0.000 2.885 825 H HA 0.336 4.891 4.556 -0.002 0.000 0.254 825 H C 0.390 175.673 175.328 -0.074 0.000 1.185 825 H CA 0.086 56.095 56.048 -0.064 0.000 1.029 825 H CB 1.073 30.805 29.762 -0.050 0.000 1.743 825 H HN 0.247 nan 8.280 nan 0.000 0.632 826 G N 0.745 109.532 108.800 -0.020 0.000 2.532 826 G HA2 0.417 4.376 3.960 -0.002 0.000 0.291 826 G HA3 0.417 4.376 3.960 -0.002 0.000 0.291 826 G C -0.214 174.631 174.900 -0.093 0.000 1.349 826 G CA -0.690 44.379 45.100 -0.050 0.000 1.038 826 G HN 0.070 nan 8.290 nan 0.000 0.518 827 L N -0.083 121.094 121.223 -0.076 0.000 2.367 827 L HA 0.310 4.649 4.340 -0.002 0.000 0.275 827 L C 0.894 177.713 176.870 -0.085 0.000 1.129 827 L CA -0.268 54.540 54.840 -0.054 0.000 0.839 827 L CB 0.493 42.497 42.059 -0.091 0.000 1.133 827 L HN 0.405 nan 8.230 nan 0.000 0.453 828 L N 2.760 123.926 121.223 -0.095 0.000 3.887 828 L HA -0.169 4.170 4.340 -0.002 0.000 0.546 828 L C -1.969 174.677 176.870 -0.374 0.000 1.196 828 L CA -0.474 54.206 54.840 -0.267 0.000 0.777 828 L CB -1.148 40.676 42.059 -0.391 0.000 1.346 828 L HN 0.596 nan 8.230 nan 0.000 0.810 829 P HA 0.218 nan 4.420 nan 0.000 0.277 829 P C -0.215 177.056 177.300 -0.048 0.000 1.271 829 P CA -0.399 62.592 63.100 -0.182 0.000 0.795 829 P CB 1.762 33.368 31.700 -0.156 0.000 1.101 830 C N 2.056 121.329 119.300 -0.046 0.000 2.656 830 C HA 0.093 4.552 4.460 -0.002 0.000 0.339 830 C C 1.416 176.361 174.990 -0.075 0.000 0.788 830 C CA -0.438 58.571 59.018 -0.016 0.000 0.990 830 C CB -1.571 26.284 27.740 0.190 0.000 1.496 830 C HN 0.407 nan 8.230 nan 0.000 0.674 831 L N 2.033 123.204 121.223 -0.087 0.000 2.265 831 L HA -0.045 4.294 4.340 -0.002 0.000 0.215 831 L C 1.982 178.996 176.870 0.239 0.000 1.117 831 L CA 1.821 56.706 54.840 0.074 0.000 0.782 831 L CB -0.684 41.461 42.059 0.143 0.000 0.914 831 L HN 0.735 nan 8.230 nan 0.000 0.441 832 H N -1.903 117.212 119.070 0.075 0.000 2.547 832 H HA 0.094 4.649 4.556 -0.002 0.000 0.266 832 H C 2.053 177.472 175.328 0.152 0.000 0.988 832 H CA 0.126 56.237 56.048 0.106 0.000 1.147 832 H CB -0.299 29.541 29.762 0.131 0.000 1.365 832 H HN 0.088 nan 8.280 nan 0.000 0.589 833 V N 0.111 120.121 119.914 0.160 0.000 2.690 833 V HA 0.073 4.192 4.120 -0.002 0.000 0.240 833 V C 2.541 178.627 176.094 -0.014 0.000 1.078 833 V CA 1.058 63.389 62.300 0.052 0.000 1.102 833 V CB -0.553 31.234 31.823 -0.060 0.000 0.800 833 V HN 0.456 nan 8.190 nan 0.000 0.479 834 A N 0.578 123.395 122.820 -0.006 0.000 1.892 834 A HA -0.246 4.073 4.320 -0.002 0.000 0.218 834 A C 2.340 179.941 177.584 0.028 0.000 1.188 834 A CA 2.642 54.706 52.037 0.045 0.000 0.631 834 A CB -0.899 18.063 19.000 -0.063 0.000 0.822 834 A HN 0.610 nan 8.150 nan 0.000 0.447 835 A N -0.675 122.163 122.820 0.030 0.000 1.969 835 A HA -0.054 4.265 4.320 -0.002 0.000 0.218 835 A C 2.412 179.978 177.584 -0.030 0.000 1.169 835 A CA 2.426 54.469 52.037 0.010 0.000 0.635 835 A CB -1.287 17.739 19.000 0.044 0.000 0.810 835 A HN 0.821 nan 8.150 nan 0.000 0.445 836 T N -2.671 111.864 114.554 -0.031 0.000 2.857 836 T HA -0.078 4.271 4.350 -0.002 0.000 0.266 836 T C 1.685 176.276 174.700 -0.182 0.000 1.048 836 T CA 1.399 63.436 62.100 -0.105 0.000 1.139 836 T CB -0.753 68.015 68.868 -0.166 0.000 0.874 836 T HN 0.069 nan 8.240 nan 0.000 0.455 837 V N 1.932 121.731 119.914 -0.193 0.000 2.343 837 V HA -0.178 3.941 4.120 -0.002 0.000 0.247 837 V C 3.042 178.979 176.094 -0.261 0.000 1.051 837 V CA 2.229 64.387 62.300 -0.236 0.000 1.036 837 V CB -1.472 30.196 31.823 -0.258 0.000 0.654 837 V HN 0.553 nan 8.190 nan 0.000 0.451 838 T N 0.461 114.865 114.554 -0.250 0.000 2.635 838 T HA -0.245 4.104 4.350 -0.002 0.000 0.267 838 T C 2.052 176.699 174.700 -0.089 0.000 1.040 838 T CA 2.513 64.516 62.100 -0.161 0.000 1.156 838 T CB -0.466 68.349 68.868 -0.088 0.000 0.863 838 T HN 0.788 nan 8.240 nan 0.000 0.430 839 T N 0.109 114.610 114.554 -0.089 0.000 2.985 839 T HA 0.116 4.465 4.350 -0.002 0.000 0.266 839 T C 2.006 176.654 174.700 -0.086 0.000 1.076 839 T CA 0.549 62.607 62.100 -0.070 0.000 1.135 839 T CB -0.545 68.287 68.868 -0.061 0.000 0.890 839 T HN 0.375 nan 8.240 nan 0.000 0.480 840 I N 1.624 122.121 120.570 -0.122 0.000 2.286 840 I HA 0.114 4.283 4.170 -0.002 0.000 0.245 840 I C 3.045 179.090 176.117 -0.119 0.000 1.104 840 I CA 0.978 62.200 61.300 -0.130 0.000 1.397 840 I CB -0.833 37.060 38.000 -0.177 0.000 1.072 840 I HN 0.411 nan 8.210 nan 0.000 0.417 841 G N 1.134 109.868 108.800 -0.111 0.000 2.513 841 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.219 841 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.219 841 G C 1.805 176.635 174.900 -0.116 0.000 1.160 841 G CA 0.883 45.909 45.100 -0.123 0.000 0.767 841 G HN 0.298 nan 8.290 nan 0.000 0.571 842 R N 0.313 120.776 120.500 -0.062 0.000 2.070 842 R HA -0.005 4.334 4.340 -0.002 0.000 0.233 842 R C 2.650 178.940 176.300 -0.016 0.000 1.137 842 R CA 1.512 57.592 56.100 -0.034 0.000 0.945 842 R CB -0.413 29.874 30.300 -0.023 0.000 0.845 842 R HN 0.467 nan 8.270 nan 0.000 0.430 843 E N 0.475 120.665 120.200 -0.016 0.000 2.070 843 E HA -0.259 4.090 4.350 -0.002 0.000 0.197 843 E C 2.067 178.707 176.600 0.068 0.000 1.004 843 E CA 1.755 58.168 56.400 0.022 0.000 0.805 843 E CB -0.163 29.545 29.700 0.013 0.000 0.744 843 E HN 0.316 nan 8.360 nan 0.000 0.451 844 M N 0.353 119.961 119.600 0.014 0.000 2.108 844 M HA -0.182 4.297 4.480 -0.002 0.000 0.261 844 M C 2.349 178.781 176.300 0.220 0.000 1.066 844 M CA 1.329 56.663 55.300 0.057 0.000 1.107 844 M CB -0.417 31.924 32.600 -0.431 0.000 1.356 844 M HN 0.167 nan 8.290 nan 0.000 0.406 845 L N -1.929 119.365 121.223 0.118 0.000 2.131 845 L HA -0.016 4.323 4.340 -0.002 0.000 0.206 845 L C 1.948 178.917 176.870 0.165 0.000 1.087 845 L CA 1.271 56.246 54.840 0.226 0.000 0.767 845 L CB -1.491 40.678 42.059 0.183 0.000 0.917 845 L HN 0.086 nan 8.230 nan 0.000 0.441 846 L N 1.009 122.296 121.223 0.107 0.000 2.127 846 L HA -0.122 4.217 4.340 -0.002 0.000 0.211 846 L C 2.805 179.741 176.870 0.110 0.000 1.089 846 L CA 1.818 56.709 54.840 0.085 0.000 0.757 846 L CB -1.809 40.288 42.059 0.064 0.000 0.899 846 L HN 0.473 nan 8.230 nan 0.000 0.434 847 A N -1.678 121.240 122.820 0.164 0.000 1.929 847 A HA -0.144 4.175 4.320 -0.002 0.000 0.216 847 A C 2.339 180.031 177.584 0.181 0.000 1.176 847 A CA 1.921 54.062 52.037 0.173 0.000 0.628 847 A CB -0.768 18.366 19.000 0.223 0.000 0.816 847 A HN 0.412 nan 8.150 nan 0.000 0.444 848 T N -0.651 114.053 114.554 0.250 0.000 2.821 848 T HA -0.125 4.224 4.350 -0.002 0.000 0.267 848 T C 2.038 176.834 174.700 0.159 0.000 1.046 848 T CA 1.401 63.637 62.100 0.226 0.000 1.139 848 T CB -0.223 68.834 68.868 0.314 0.000 0.871 848 T HN 0.567 nan 8.240 nan 0.000 0.454 849 R N 1.201 121.753 120.500 0.086 0.000 2.082 849 R HA -0.156 4.183 4.340 -0.002 0.000 0.234 849 R C 2.309 178.514 176.300 -0.159 0.000 1.136 849 R CA 1.947 57.991 56.100 -0.093 0.000 0.935 849 R CB -0.199 30.056 30.300 -0.076 0.000 0.842 849 R HN 0.464 nan 8.270 nan 0.000 0.430 850 E N -0.736 119.460 120.200 -0.007 0.000 2.065 850 E HA -0.295 4.054 4.350 -0.002 0.000 0.201 850 E C 1.853 178.478 176.600 0.043 0.000 1.016 850 E CA 2.038 58.460 56.400 0.037 0.000 0.818 850 E CB -0.383 29.359 29.700 0.070 0.000 0.749 850 E HN 0.425 nan 8.360 nan 0.000 0.453 851 Y N 1.145 121.412 120.300 -0.057 0.000 2.089 851 Y HA -0.287 4.262 4.550 -0.001 0.000 0.282 851 Y C 2.300 178.123 175.900 -0.128 0.000 1.139 851 Y CA 1.559 59.595 58.100 -0.106 0.000 1.123 851 Y CB -0.400 37.983 38.460 -0.128 0.000 0.980 851 Y HN -0.168 nan 8.280 nan 0.000 0.493 852 V N 0.482 120.493 119.914 0.162 0.000 2.324 852 V HA -0.413 3.706 4.120 -0.002 0.000 0.250 852 V C 2.150 178.376 176.094 0.221 0.000 1.060 852 V CA 2.535 64.986 62.300 0.251 0.000 1.042 852 V CB -1.000 31.072 31.823 0.414 0.000 0.650 852 V HN 0.580 nan 8.190 nan 0.000 0.450 853 H N -0.319 118.808 119.070 0.094 0.000 2.321 853 H HA -0.128 4.426 4.556 -0.002 0.000 0.300 853 H C 2.343 177.654 175.328 -0.029 0.000 1.087 853 H CA 1.133 57.216 56.048 0.058 0.000 1.319 853 H CB -0.085 29.710 29.762 0.055 0.000 1.379 853 H HN 0.492 nan 8.280 nan 0.000 0.501 854 A N 1.097 123.911 122.820 -0.010 0.000 1.855 854 A HA -0.174 4.145 4.320 -0.002 0.000 0.215 854 A C 2.264 179.699 177.584 -0.249 0.000 1.191 854 A CA 1.542 53.497 52.037 -0.136 0.000 0.613 854 A CB -0.461 18.415 19.000 -0.207 0.000 0.829 854 A HN 0.288 nan 8.150 nan 0.000 0.442 855 R N -2.112 118.070 120.500 -0.529 0.000 2.090 855 R HA -0.094 4.245 4.340 -0.002 0.000 0.228 855 R C 0.551 176.573 176.300 -0.464 0.000 1.110 855 R CA 1.133 56.782 56.100 -0.752 0.000 0.973 855 R CB -0.054 29.333 30.300 -1.520 0.000 0.869 855 R HN 0.672 nan 8.270 nan 0.000 0.440 856 W N -0.363 120.955 121.300 0.030 0.000 2.771 856 W HA 0.397 5.056 4.660 -0.000 0.000 0.412 856 W C 0.977 177.646 176.519 0.251 0.000 0.965 856 W CA -0.677 56.751 57.345 0.138 0.000 2.045 856 W CB 0.091 29.674 29.460 0.204 0.000 1.176 856 W HN 0.180 nan 8.180 nan 0.000 0.634 857 A N 1.095 124.099 122.820 0.307 0.000 1.978 857 A HA 0.193 4.512 4.320 -0.002 0.000 0.220 857 A C 1.289 179.116 177.584 0.404 0.000 1.170 857 A CA 1.817 54.022 52.037 0.280 0.000 0.636 857 A CB -0.199 18.882 19.000 0.135 0.000 0.810 857 A HN 0.044 nan 8.150 nan 0.000 0.448 858 A N -2.434 120.573 122.820 0.311 0.000 2.350 858 A HA 0.615 4.934 4.320 -0.002 0.000 0.324 858 A C 0.274 177.825 177.584 -0.055 0.000 1.118 858 A CA -0.579 51.572 52.037 0.190 0.000 0.783 858 A CB 0.362 19.421 19.000 0.097 0.000 1.236 858 A HN 0.450 nan 8.150 nan 0.000 0.457 859 F N 1.643 121.229 119.950 -0.607 0.000 2.307 859 F HA -0.177 4.349 4.527 -0.002 0.000 0.301 859 F C 2.092 177.720 175.800 -0.286 0.000 1.076 859 F CA 2.454 59.997 58.000 -0.763 0.000 1.383 859 F CB 0.033 38.601 39.000 -0.720 0.000 1.055 859 F HN 0.844 nan 8.300 nan 0.000 0.526 860 E N -0.346 119.749 120.200 -0.175 0.000 2.072 860 E HA -0.250 4.099 4.350 -0.002 0.000 0.191 860 E C 2.017 178.504 176.600 -0.188 0.000 0.985 860 E CA 1.444 57.739 56.400 -0.175 0.000 0.801 860 E CB -0.826 28.841 29.700 -0.056 0.000 0.750 860 E HN 0.299 nan 8.360 nan 0.000 0.452 861 Q N -0.023 119.720 119.800 -0.094 0.000 2.123 861 Q HA 0.025 4.364 4.340 -0.002 0.000 0.199 861 Q C 2.074 178.069 176.000 -0.007 0.000 0.966 861 Q CA 0.970 56.761 55.803 -0.020 0.000 0.845 861 Q CB -0.337 28.435 28.738 0.057 0.000 0.907 861 Q HN 0.460 nan 8.270 nan 0.000 0.439 862 L N 0.071 121.260 121.223 -0.058 0.000 2.093 862 L HA -0.095 4.244 4.340 -0.002 0.000 0.208 862 L C 2.096 178.757 176.870 -0.349 0.000 1.085 862 L CA 1.211 55.930 54.840 -0.202 0.000 0.755 862 L CB -0.638 41.255 42.059 -0.278 0.000 0.904 862 L HN 0.284 nan 8.230 nan 0.000 0.435 863 L N -0.571 120.314 121.223 -0.562 0.000 2.201 863 L HA -0.018 4.321 4.340 -0.002 0.000 0.212 863 L C 2.367 179.077 176.870 -0.266 0.000 1.105 863 L CA 1.801 56.359 54.840 -0.470 0.000 0.775 863 L CB -0.760 40.953 42.059 -0.577 0.000 0.913 863 L HN 0.265 nan 8.230 nan 0.000 0.440 864 A N -1.019 121.658 122.820 -0.239 0.000 1.897 864 A HA -0.135 4.184 4.320 -0.002 0.000 0.215 864 A C 1.972 179.420 177.584 -0.228 0.000 1.181 864 A CA 1.539 53.470 52.037 -0.176 0.000 0.620 864 A CB -0.575 18.348 19.000 -0.130 0.000 0.821 864 A HN 0.490 nan 8.150 nan 0.000 0.443 865 D N -0.947 119.225 120.400 -0.380 0.000 2.144 865 D HA -0.020 4.619 4.640 -0.002 0.000 0.200 865 D C -0.322 175.489 176.300 -0.814 0.000 0.978 865 D CA 1.006 54.571 54.000 -0.724 0.000 0.833 865 D CB -0.068 39.924 40.800 -1.347 0.000 0.961 865 D HN 0.510 nan 8.370 nan 0.000 0.470 866 F N -0.343 119.541 119.950 -0.110 0.000 2.686 866 F HA 0.265 4.792 4.527 -0.001 0.000 0.365 866 F C -1.902 173.821 175.800 -0.128 0.000 1.196 866 F CA -1.929 55.997 58.000 -0.124 0.000 1.198 866 F CB 2.058 40.945 39.000 -0.189 0.000 1.454 866 F HN -0.250 nan 8.300 nan 0.000 0.539 867 P HA -0.234 nan 4.420 nan 0.000 0.218 867 P C 1.467 178.773 177.300 0.010 0.000 1.146 867 P CA 1.320 64.413 63.100 -0.011 0.000 0.813 867 P CB 0.134 31.830 31.700 -0.007 0.000 0.778 868 E N -0.085 120.136 120.200 0.036 0.000 2.478 868 E HA -0.078 4.271 4.350 -0.002 0.000 0.198 868 E C 1.554 178.171 176.600 0.029 0.000 1.046 868 E CA 0.797 57.212 56.400 0.025 0.000 0.870 868 E CB -0.667 29.042 29.700 0.016 0.000 0.818 868 E HN 0.138 nan 8.360 nan 0.000 0.527 869 A N 1.595 124.432 122.820 0.028 0.000 2.121 869 A HA 0.086 4.405 4.320 -0.002 0.000 0.218 869 A C 2.431 180.120 177.584 0.174 0.000 1.154 869 A CA 1.245 53.321 52.037 0.065 0.000 0.679 869 A CB -0.527 18.440 19.000 -0.054 0.000 0.795 869 A HN 0.430 nan 8.150 nan 0.000 0.458 870 A N 1.622 124.502 122.820 0.101 0.000 1.894 870 A HA -0.272 4.047 4.320 -0.002 0.000 0.220 870 A C 1.539 179.199 177.584 0.126 0.000 1.237 870 A CA 2.076 54.190 52.037 0.129 0.000 0.660 870 A CB -0.749 18.287 19.000 0.059 0.000 0.835 870 A HN 0.679 nan 8.150 nan 0.000 0.461 871 D N -1.765 118.678 120.400 0.073 0.000 2.538 871 D HA 0.230 4.869 4.640 -0.002 0.000 0.234 871 D C 0.630 176.946 176.300 0.028 0.000 1.191 871 D CA 0.085 54.109 54.000 0.040 0.000 0.828 871 D CB -0.032 40.779 40.800 0.020 0.000 0.981 871 D HN 0.506 nan 8.370 nan 0.000 0.490 872 M N -0.780 118.857 119.600 0.062 0.000 2.340 872 M HA 0.177 4.656 4.480 -0.002 0.000 0.345 872 M C 0.149 176.444 176.300 -0.009 0.000 1.008 872 M CA -0.584 54.734 55.300 0.030 0.000 0.987 872 M CB 0.983 33.616 32.600 0.055 0.000 1.598 872 M HN -0.207 nan 8.290 nan 0.000 0.569 873 R N 1.772 122.231 120.500 -0.068 0.000 2.216 873 R HA 0.566 4.905 4.340 -0.002 0.000 0.332 873 R C -0.561 175.643 176.300 -0.160 0.000 1.056 873 R CA -0.015 55.931 56.100 -0.257 0.000 0.901 873 R CB 0.198 30.213 30.300 -0.474 0.000 1.039 873 R HN 0.222 nan 8.270 nan 0.000 0.456 874 A N 5.996 128.736 122.820 -0.133 0.000 2.246 874 A HA 0.482 4.801 4.320 -0.002 0.000 0.291 874 A C -1.476 176.056 177.584 -0.087 0.000 1.103 874 A CA -1.283 50.701 52.037 -0.089 0.000 0.844 874 A CB 0.082 19.040 19.000 -0.069 0.000 1.136 874 A HN 0.693 nan 8.150 nan 0.000 0.500 875 P HA -0.079 nan 4.420 nan 0.000 0.216 875 P C 1.167 178.440 177.300 -0.046 0.000 1.153 875 P CA 1.603 64.673 63.100 -0.049 0.000 0.858 875 P CB -0.190 31.490 31.700 -0.033 0.000 0.789 876 G N 0.533 109.308 108.800 -0.041 0.000 2.518 876 G HA2 0.161 4.120 3.960 -0.002 0.000 0.284 876 G HA3 0.161 4.120 3.960 -0.002 0.000 0.284 876 G C -2.033 172.853 174.900 -0.022 0.000 1.362 876 G CA -0.471 44.612 45.100 -0.028 0.000 1.065 876 G HN 0.135 nan 8.290 nan 0.000 0.561 877 P HA 0.226 nan 4.420 nan 0.000 0.279 877 P C -1.446 175.875 177.300 0.035 0.000 1.252 877 P CA -0.415 62.695 63.100 0.017 0.000 0.811 877 P CB 1.019 32.728 31.700 0.015 0.000 1.035 878 Y N 0.809 121.084 120.300 -0.042 0.000 2.308 878 Y HA 0.506 5.055 4.550 -0.002 0.000 0.329 878 Y C -0.330 175.584 175.900 0.024 0.000 1.111 878 Y CA 0.034 58.120 58.100 -0.024 0.000 1.179 878 Y CB 1.134 39.585 38.460 -0.015 0.000 1.201 878 Y HN 0.430 nan 8.280 nan 0.000 0.483 879 S N 7.716 122.880 115.700 -0.894 0.000 2.605 879 S HA 0.388 4.857 4.470 -0.002 0.000 0.279 879 S C -1.602 172.638 174.600 -0.600 0.000 1.166 879 S CA -0.837 56.998 58.200 -0.607 0.000 0.975 879 S CB 0.466 63.523 63.200 -0.239 0.000 1.111 879 S HN 0.890 nan 8.310 nan 0.000 0.465 880 M N 5.703 125.049 119.600 -0.423 0.000 2.078 880 M HA 0.605 5.083 4.480 -0.002 0.000 0.320 880 M C -1.109 175.237 176.300 0.076 0.000 0.969 880 M CA -0.357 54.870 55.300 -0.121 0.000 0.929 880 M CB 0.686 33.324 32.600 0.062 0.000 1.504 880 M HN 0.564 nan 8.290 nan 0.000 0.419 881 R N 4.635 125.184 120.500 0.082 0.000 2.564 881 R HA 0.475 4.814 4.340 -0.002 0.000 0.284 881 R C -1.141 175.302 176.300 0.239 0.000 1.031 881 R CA -0.759 55.456 56.100 0.191 0.000 0.904 881 R CB 2.362 32.675 30.300 0.021 0.000 1.199 881 R HN 0.777 nan 8.270 nan 0.000 0.443 882 I N 3.743 124.559 120.570 0.410 0.000 2.428 882 I HA 0.141 4.310 4.170 -0.002 0.000 0.289 882 I C 0.015 176.246 176.117 0.189 0.000 1.019 882 I CA 0.115 61.545 61.300 0.217 0.000 1.351 882 I CB 0.827 38.901 38.000 0.122 0.000 1.412 882 I HN 0.620 nan 8.210 nan 0.000 0.513 883 I N 7.659 128.329 120.570 0.166 0.000 4.433 883 I HA 0.192 4.361 4.170 -0.002 0.000 0.322 883 I C -0.527 175.728 176.117 0.230 0.000 1.284 883 I CA 0.331 61.729 61.300 0.163 0.000 1.269 883 I CB -0.081 37.968 38.000 0.082 0.000 1.219 883 I HN 0.627 nan 8.210 nan 0.000 0.436 884 Y N 0.983 121.301 120.300 0.031 0.000 2.433 884 Y HA 0.680 5.229 4.550 -0.002 0.000 0.337 884 Y C -0.214 175.570 175.900 -0.193 0.000 1.026 884 Y CA -1.217 56.800 58.100 -0.138 0.000 1.037 884 Y CB 1.780 40.003 38.460 -0.395 0.000 1.245 884 Y HN -0.042 nan 8.280 nan 0.000 0.443 885 G N 4.434 112.891 108.800 -0.572 0.000 2.513 885 G HA2 0.521 4.479 3.960 -0.002 0.000 0.317 885 G HA3 0.521 4.479 3.960 -0.002 0.000 0.317 885 G C -1.623 172.787 174.900 -0.817 0.000 1.277 885 G CA -0.335 44.462 45.100 -0.506 0.000 0.955 885 G HN 0.591 nan 8.290 nan 0.000 0.484 886 D N 0.025 120.058 120.400 -0.611 0.000 2.989 886 D HA 0.341 4.980 4.640 -0.002 0.000 0.284 886 D C 1.779 177.975 176.300 -0.173 0.000 1.212 886 D CA -0.243 53.507 54.000 -0.417 0.000 1.055 886 D CB 1.127 41.685 40.800 -0.404 0.000 1.351 886 D HN 0.204 nan 8.370 nan 0.000 0.611 887 T N 0.095 114.592 114.554 -0.095 0.000 2.570 887 T HA -0.185 4.164 4.350 -0.002 0.000 0.266 887 T C 0.653 175.308 174.700 -0.076 0.000 1.071 887 T CA 2.349 64.412 62.100 -0.061 0.000 1.172 887 T CB -0.308 68.528 68.868 -0.052 0.000 0.864 887 T HN 0.509 nan 8.240 nan 0.000 0.421 888 D N -0.026 120.349 120.400 -0.043 0.000 2.582 888 D HA 0.186 4.825 4.640 -0.002 0.000 0.246 888 D C -0.382 176.026 176.300 0.179 0.000 1.334 888 D CA -0.399 53.632 54.000 0.052 0.000 0.805 888 D CB -0.114 40.655 40.800 -0.052 0.000 1.087 888 D HN 0.406 nan 8.370 nan 0.000 0.499 889 S N -0.662 115.095 115.700 0.095 0.000 2.546 889 S HA 0.706 5.175 4.470 -0.002 0.000 0.274 889 S C -1.106 173.515 174.600 0.035 0.000 1.121 889 S CA -0.883 57.383 58.200 0.111 0.000 0.887 889 S CB 2.004 65.292 63.200 0.147 0.000 1.094 889 S HN 0.049 nan 8.310 nan 0.000 0.474 890 I N 1.612 122.268 120.570 0.143 0.000 2.545 890 I HA 0.563 4.732 4.170 -0.002 0.000 0.292 890 I C -1.469 174.847 176.117 0.331 0.000 1.040 890 I CA -1.197 60.183 61.300 0.134 0.000 1.068 890 I CB 1.419 39.540 38.000 0.202 0.000 1.251 890 I HN 0.824 nan 8.210 nan 0.000 0.424 891 F N 6.390 126.365 119.950 0.041 0.000 2.427 891 F HA 0.545 5.071 4.527 -0.002 0.000 0.346 891 F C -0.290 175.485 175.800 -0.043 0.000 1.120 891 F CA -1.148 56.848 58.000 -0.006 0.000 1.033 891 F CB 1.645 40.706 39.000 0.102 0.000 1.126 891 F HN -0.027 nan 8.300 nan 0.000 0.462 892 V N 5.550 125.474 119.914 0.016 0.000 2.326 892 V HA 0.155 4.274 4.120 -0.002 0.000 0.281 892 V C -0.297 175.744 176.094 -0.088 0.000 1.015 892 V CA -0.719 61.572 62.300 -0.014 0.000 0.823 892 V CB 1.484 33.286 31.823 -0.035 0.000 1.009 892 V HN 0.465 nan 8.190 nan 0.000 0.436 893 L N 6.096 127.272 121.223 -0.079 0.000 2.418 893 L HA 0.317 4.656 4.340 -0.002 0.000 0.274 893 L C 0.012 176.804 176.870 -0.131 0.000 1.135 893 L CA 0.619 55.362 54.840 -0.160 0.000 0.870 893 L CB 0.354 42.273 42.059 -0.233 0.000 1.154 893 L HN 0.746 nan 8.230 nan 0.000 0.462 894 C N 6.209 125.423 119.300 -0.144 0.000 2.288 894 C HA 0.437 4.896 4.460 -0.002 0.000 0.328 894 C C 0.685 175.592 174.990 -0.138 0.000 1.071 894 C CA -0.852 58.085 59.018 -0.136 0.000 1.594 894 C CB -0.954 26.724 27.740 -0.104 0.000 1.700 894 C HN 0.781 nan 8.230 nan 0.000 0.436 895 R N 0.858 121.253 120.500 -0.174 0.000 2.537 895 R HA 0.425 4.764 4.340 -0.002 0.000 0.280 895 R C 1.411 177.643 176.300 -0.113 0.000 1.058 895 R CA 1.300 57.318 56.100 -0.137 0.000 1.057 895 R CB 0.310 30.530 30.300 -0.134 0.000 0.973 895 R HN 0.977 nan 8.270 nan 0.000 0.438 896 G N 1.846 110.614 108.800 -0.054 0.000 2.179 896 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.260 896 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.260 896 G C -0.034 174.857 174.900 -0.015 0.000 0.977 896 G CA -0.258 44.830 45.100 -0.021 0.000 0.641 896 G HN 0.403 nan 8.290 nan 0.000 0.533 897 L N 0.822 122.042 121.223 -0.005 0.000 2.334 897 L HA 0.543 4.882 4.340 -0.002 0.000 0.273 897 L C 0.752 177.583 176.870 -0.065 0.000 1.013 897 L CA -0.881 53.956 54.840 -0.005 0.000 0.816 897 L CB 1.850 43.935 42.059 0.043 0.000 1.278 897 L HN 0.082 nan 8.230 nan 0.000 0.431 898 T N 1.116 115.621 114.554 -0.081 0.000 2.918 898 T HA 0.107 4.456 4.350 -0.002 0.000 0.302 898 T C 1.098 175.673 174.700 -0.209 0.000 1.045 898 T CA 0.014 62.036 62.100 -0.131 0.000 1.114 898 T CB 1.578 70.370 68.868 -0.126 0.000 0.965 898 T HN 0.760 nan 8.240 nan 0.000 0.540 899 A N 2.325 124.977 122.820 -0.281 0.000 2.121 899 A HA 0.152 4.471 4.320 -0.002 0.000 0.218 899 A C 2.352 179.443 177.584 -0.822 0.000 1.154 899 A CA 1.382 53.141 52.037 -0.463 0.000 0.679 899 A CB -0.839 17.920 19.000 -0.402 0.000 0.795 899 A HN 0.927 nan 8.150 nan 0.000 0.458 900 A N -0.206 122.221 122.820 -0.654 0.000 1.834 900 A HA 0.141 4.460 4.320 -0.002 0.000 0.216 900 A C 2.152 179.514 177.584 -0.370 0.000 1.203 900 A CA 1.687 53.359 52.037 -0.609 0.000 0.621 900 A CB -1.239 17.624 19.000 -0.228 0.000 0.841 900 A HN 0.881 nan 8.150 nan 0.000 0.446 901 G N -1.285 107.386 108.800 -0.216 0.000 3.371 901 G HA2 0.339 4.298 3.960 -0.002 0.000 0.248 901 G HA3 0.339 4.298 3.960 -0.002 0.000 0.248 901 G C 0.958 175.768 174.900 -0.150 0.000 1.161 901 G CA -0.060 44.960 45.100 -0.135 0.000 0.796 901 G HN 0.367 nan 8.290 nan 0.000 0.539 902 L N -0.017 121.084 121.223 -0.204 0.000 2.376 902 L HA -0.001 4.338 4.340 -0.002 0.000 0.219 902 L C 2.535 179.303 176.870 -0.170 0.000 1.133 902 L CA 0.958 55.684 54.840 -0.190 0.000 0.816 902 L CB -0.033 41.897 42.059 -0.214 0.000 0.933 902 L HN 0.201 nan 8.230 nan 0.000 0.449 903 T N -0.579 113.891 114.554 -0.140 0.000 2.937 903 T HA -0.004 4.345 4.350 -0.002 0.000 0.260 903 T C 1.892 176.539 174.700 -0.088 0.000 1.051 903 T CA 0.983 63.018 62.100 -0.108 0.000 1.141 903 T CB 0.087 68.910 68.868 -0.074 0.000 0.879 903 T HN 0.442 nan 8.240 nan 0.000 0.459 904 A N 1.409 124.176 122.820 -0.088 0.000 1.897 904 A HA 0.045 4.364 4.320 -0.002 0.000 0.215 904 A C 2.268 179.768 177.584 -0.141 0.000 1.181 904 A CA 1.545 53.530 52.037 -0.086 0.000 0.620 904 A CB -0.626 18.335 19.000 -0.065 0.000 0.821 904 A HN 0.493 nan 8.150 nan 0.000 0.443 905 M N -0.034 119.454 119.600 -0.187 0.000 2.175 905 M HA -0.005 4.474 4.480 -0.002 0.000 0.264 905 M C 1.936 178.008 176.300 -0.379 0.000 1.063 905 M CA 1.819 56.921 55.300 -0.331 0.000 1.119 905 M CB -0.374 32.034 32.600 -0.320 0.000 1.377 905 M HN 0.321 nan 8.290 nan 0.000 0.415 906 G N 0.179 108.866 108.800 -0.188 0.000 2.432 906 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.219 906 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.219 906 G C 1.075 175.978 174.900 0.006 0.000 1.135 906 G CA 1.172 46.285 45.100 0.022 0.000 0.767 906 G HN 0.484 nan 8.290 nan 0.000 0.550 907 D N 1.093 121.451 120.400 -0.070 0.000 2.087 907 D HA -0.096 4.543 4.640 -0.002 0.000 0.192 907 D C 2.455 178.682 176.300 -0.123 0.000 0.993 907 D CA 1.002 54.960 54.000 -0.070 0.000 0.828 907 D CB -0.195 40.571 40.800 -0.056 0.000 0.968 907 D HN 0.271 nan 8.370 nan 0.000 0.448 908 K N 0.362 120.658 120.400 -0.173 0.000 2.074 908 K HA -0.147 4.172 4.320 -0.002 0.000 0.209 908 K C 2.336 178.840 176.600 -0.160 0.000 1.048 908 K CA 0.913 57.110 56.287 -0.150 0.000 0.926 908 K CB -0.303 32.040 32.500 -0.262 0.000 0.713 908 K HN 0.200 nan 8.250 nan 0.000 0.444 909 M N 0.497 119.820 119.600 -0.461 0.000 2.065 909 M HA -0.209 4.270 4.480 -0.002 0.000 0.259 909 M C 2.479 178.692 176.300 -0.146 0.000 1.069 909 M CA 1.913 57.011 55.300 -0.337 0.000 1.110 909 M CB -0.392 31.924 32.600 -0.473 0.000 1.328 909 M HN 0.261 nan 8.290 nan 0.000 0.405 910 A N -1.060 121.517 122.820 -0.405 0.000 1.902 910 A HA -0.180 4.139 4.320 -0.002 0.000 0.217 910 A C 2.196 179.685 177.584 -0.158 0.000 1.181 910 A CA 2.180 53.944 52.037 -0.454 0.000 0.623 910 A CB -0.996 17.704 19.000 -0.501 0.000 0.818 910 A HN 0.501 nan 8.150 nan 0.000 0.443 911 S N -1.126 114.535 115.700 -0.064 0.000 2.353 911 S HA -0.281 4.188 4.470 -0.002 0.000 0.222 911 S C 1.948 176.591 174.600 0.072 0.000 1.035 911 S CA 1.937 60.142 58.200 0.008 0.000 1.025 911 S CB -0.609 62.609 63.200 0.031 0.000 0.902 911 S HN 0.802 nan 8.310 nan 0.000 0.440 912 H N 0.717 119.834 119.070 0.078 0.000 2.265 912 H HA -0.081 4.473 4.556 -0.002 0.000 0.293 912 H C 1.993 177.327 175.328 0.010 0.000 1.089 912 H CA 2.515 58.651 56.048 0.147 0.000 1.244 912 H CB -0.425 29.597 29.762 0.433 0.000 1.355 912 H HN 0.456 nan 8.280 nan 0.000 0.485 913 I N -0.585 120.097 120.570 0.187 0.000 2.208 913 I HA -0.309 3.860 4.170 -0.002 0.000 0.245 913 I C 2.809 178.777 176.117 -0.249 0.000 1.097 913 I CA 1.427 62.624 61.300 -0.171 0.000 1.363 913 I CB -0.495 37.392 38.000 -0.188 0.000 1.051 913 I HN 0.336 nan 8.210 nan 0.000 0.413 914 S N 0.731 116.376 115.700 -0.092 0.000 2.348 914 S HA -0.191 4.278 4.470 -0.002 0.000 0.221 914 S C 2.149 176.724 174.600 -0.042 0.000 1.033 914 S CA 1.436 59.647 58.200 0.018 0.000 1.010 914 S CB -0.155 63.066 63.200 0.035 0.000 0.891 914 S HN 0.267 nan 8.310 nan 0.000 0.442 915 R N 0.627 121.080 120.500 -0.078 0.000 2.200 915 R HA 0.086 4.425 4.340 -0.002 0.000 0.234 915 R C 2.183 178.374 176.300 -0.182 0.000 1.127 915 R CA 1.227 57.264 56.100 -0.106 0.000 0.989 915 R CB -0.358 29.880 30.300 -0.104 0.000 0.869 915 R HN 0.492 nan 8.270 nan 0.000 0.459 916 A N -0.705 121.946 122.820 -0.283 0.000 1.997 916 A HA 0.125 4.444 4.320 -0.002 0.000 0.212 916 A C 1.742 179.116 177.584 -0.352 0.000 1.178 916 A CA 0.586 52.429 52.037 -0.322 0.000 0.698 916 A CB 0.199 18.959 19.000 -0.399 0.000 0.842 916 A HN 0.200 nan 8.150 nan 0.000 0.458 917 L N -2.524 118.385 121.223 -0.524 0.000 2.577 917 L HA 0.375 4.714 4.340 -0.002 0.000 0.225 917 L C -0.189 176.294 176.870 -0.645 0.000 1.053 917 L CA 0.028 54.424 54.840 -0.739 0.000 0.866 917 L CB 0.271 41.498 42.059 -1.387 0.000 1.132 917 L HN 0.259 nan 8.230 nan 0.000 0.486 918 F N -0.238 119.681 119.950 -0.052 0.000 2.561 918 F HA 0.463 4.989 4.527 -0.001 0.000 0.321 918 F C -0.113 175.655 175.800 -0.052 0.000 1.065 918 F CA -1.041 56.937 58.000 -0.036 0.000 0.934 918 F CB 1.647 40.650 39.000 0.006 0.000 1.215 918 F HN -0.308 nan 8.300 nan 0.000 0.471 919 L N 3.614 124.930 121.223 0.155 0.000 2.380 919 L HA 0.293 4.632 4.340 -0.002 0.000 0.273 919 L C -2.112 174.766 176.870 0.015 0.000 1.138 919 L CA -1.819 53.040 54.840 0.031 0.000 0.832 919 L CB 0.354 42.385 42.059 -0.045 0.000 1.124 919 L HN 0.252 nan 8.230 nan 0.000 0.454 920 P HA -0.094 nan 4.420 nan 0.000 0.267 920 P C -1.943 175.349 177.300 -0.012 0.000 1.175 920 P CA -0.195 62.909 63.100 0.006 0.000 0.763 920 P CB -0.122 31.579 31.700 0.001 0.000 0.795 921 P HA -0.252 nan 4.420 nan 0.000 0.170 921 P C 0.092 177.401 177.300 0.014 0.000 0.642 921 P CA 1.397 64.501 63.100 0.006 0.000 0.736 921 P CB -1.446 30.253 31.700 -0.002 0.000 0.412 922 I N 0.338 120.908 120.570 0.000 0.000 2.845 922 I HA -0.105 4.064 4.170 -0.002 0.000 0.290 922 I C 1.171 177.358 176.117 0.116 0.000 1.202 922 I CA 1.002 62.312 61.300 0.016 0.000 1.406 922 I CB -0.339 37.619 38.000 -0.070 0.000 1.383 922 I HN -0.042 nan 8.210 nan 0.000 0.549 923 K N 7.246 127.734 120.400 0.146 0.000 2.640 923 K HA 0.387 4.706 4.320 -0.002 0.000 0.245 923 K C -1.388 175.249 176.600 0.061 0.000 0.962 923 K CA -0.836 55.512 56.287 0.102 0.000 0.896 923 K CB 1.269 33.798 32.500 0.048 0.000 1.147 923 K HN 0.384 nan 8.250 nan 0.000 0.445 924 L N 4.528 125.707 121.223 -0.074 0.000 2.349 924 L HA 0.317 4.656 4.340 -0.002 0.000 0.275 924 L C -0.218 176.522 176.870 -0.216 0.000 1.115 924 L CA 0.666 55.276 54.840 -0.383 0.000 0.820 924 L CB 0.705 42.378 42.059 -0.643 0.000 1.135 924 L HN 0.770 nan 8.230 nan 0.000 0.445 925 E N 3.388 123.489 120.200 -0.165 0.000 2.450 925 E HA 0.407 4.756 4.350 -0.002 0.000 0.272 925 E C -1.609 175.019 176.600 0.047 0.000 0.967 925 E CA -0.941 55.418 56.400 -0.069 0.000 0.818 925 E CB 1.544 31.226 29.700 -0.030 0.000 1.401 925 E HN 0.533 nan 8.360 nan 0.000 0.450 926 C N 0.692 120.040 119.300 0.080 0.000 2.408 926 C HA 0.387 4.846 4.460 -0.002 0.000 0.321 926 C C 0.853 175.854 174.990 0.018 0.000 1.245 926 C CA -0.184 58.922 59.018 0.146 0.000 1.523 926 C CB 0.534 28.399 27.740 0.208 0.000 2.178 926 C HN 0.854 nan 8.230 nan 0.000 0.488 927 E N 1.893 122.076 120.200 -0.028 0.000 2.201 927 E HA 0.102 4.451 4.350 -0.002 0.000 0.193 927 E C -0.105 176.427 176.600 -0.113 0.000 0.957 927 E CA 0.380 56.742 56.400 -0.062 0.000 0.858 927 E CB 0.463 30.126 29.700 -0.061 0.000 0.816 927 E HN 0.604 nan 8.360 nan 0.000 0.475 928 K N 0.661 120.943 120.400 -0.198 0.000 2.584 928 K HA 0.171 4.490 4.320 -0.002 0.000 0.260 928 K C -1.793 174.530 176.600 -0.461 0.000 0.949 928 K CA -0.089 56.010 56.287 -0.313 0.000 0.888 928 K CB 2.001 34.276 32.500 -0.375 0.000 1.330 928 K HN -0.170 nan 8.250 nan 0.000 0.432 929 T N 3.902 118.225 114.554 -0.384 0.000 2.797 929 T HA 0.473 4.822 4.350 -0.002 0.000 0.279 929 T C -0.851 173.636 174.700 -0.354 0.000 0.991 929 T CA -0.357 61.511 62.100 -0.385 0.000 0.979 929 T CB 0.285 69.024 68.868 -0.214 0.000 0.943 929 T HN 0.301 nan 8.240 nan 0.000 0.444 930 F N 2.197 122.031 119.950 -0.194 0.000 2.390 930 F HA 0.211 4.737 4.527 -0.002 0.000 0.361 930 F C 2.011 177.760 175.800 -0.085 0.000 1.124 930 F CA -0.847 57.070 58.000 -0.138 0.000 1.149 930 F CB 0.997 39.866 39.000 -0.218 0.000 1.160 930 F HN 0.608 nan 8.300 nan 0.000 0.501 931 T N 1.619 116.284 114.554 0.186 0.000 2.759 931 T HA -0.144 4.205 4.350 -0.002 0.000 0.269 931 T C 0.373 175.119 174.700 0.077 0.000 1.042 931 T CA 1.370 63.545 62.100 0.124 0.000 1.140 931 T CB -0.153 68.814 68.868 0.167 0.000 0.864 931 T HN 0.418 nan 8.240 nan 0.000 0.455 932 K N -0.368 120.115 120.400 0.138 0.000 2.532 932 K HA 0.697 5.016 4.320 -0.002 0.000 0.265 932 K C -1.935 174.732 176.600 0.111 0.000 0.948 932 K CA -0.844 55.464 56.287 0.034 0.000 0.842 932 K CB 2.585 35.190 32.500 0.176 0.000 1.392 932 K HN -0.077 nan 8.250 nan 0.000 0.436 933 L N 1.960 123.092 121.223 -0.152 0.000 2.562 933 L HA 0.392 4.731 4.340 -0.002 0.000 0.266 933 L C -1.895 174.989 176.870 0.023 0.000 0.949 933 L CA -0.469 54.337 54.840 -0.057 0.000 0.879 933 L CB 1.818 43.745 42.059 -0.220 0.000 1.278 933 L HN 0.657 nan 8.230 nan 0.000 0.404 934 L N 5.323 126.752 121.223 0.344 0.000 2.261 934 L HA 0.386 4.725 4.340 -0.002 0.000 0.289 934 L C -0.953 176.016 176.870 0.164 0.000 1.059 934 L CA -0.708 54.323 54.840 0.319 0.000 0.816 934 L CB 1.229 43.504 42.059 0.361 0.000 1.191 934 L HN 0.604 nan 8.230 nan 0.000 0.431 935 L N 6.109 127.400 121.223 0.113 0.000 2.259 935 L HA 0.300 4.639 4.340 -0.002 0.000 0.288 935 L C 0.461 177.370 176.870 0.066 0.000 1.051 935 L CA 0.534 55.425 54.840 0.086 0.000 0.824 935 L CB 1.155 43.281 42.059 0.112 0.000 1.206 935 L HN 0.574 nan 8.230 nan 0.000 0.429 936 I N 3.476 124.083 120.570 0.062 0.000 2.368 936 I HA 0.348 4.517 4.170 -0.002 0.000 0.238 936 I C 0.883 177.023 176.117 0.039 0.000 1.076 936 I CA 0.831 62.153 61.300 0.037 0.000 1.397 936 I CB -0.011 37.998 38.000 0.014 0.000 1.141 936 I HN 0.711 nan 8.210 nan 0.000 0.430 937 A N -0.831 122.010 122.820 0.035 0.000 2.511 937 A HA 0.371 4.690 4.320 -0.002 0.000 0.293 937 A C 0.496 178.128 177.584 0.079 0.000 1.098 937 A CA -0.545 51.525 52.037 0.055 0.000 0.643 937 A CB 0.603 19.633 19.000 0.051 0.000 1.302 937 A HN 0.117 nan 8.150 nan 0.000 0.446 938 K N -0.427 120.054 120.400 0.135 0.000 2.582 938 K HA -0.310 4.009 4.320 -0.002 0.000 0.194 938 K C -0.039 176.709 176.600 0.247 0.000 0.771 938 K CA 2.660 59.055 56.287 0.181 0.000 1.030 938 K CB -0.544 32.020 32.500 0.108 0.000 1.289 938 K HN 0.622 nan 8.250 nan 0.000 0.598 939 K N 0.404 120.892 120.400 0.146 0.000 3.365 939 K HA 0.252 4.571 4.320 -0.002 0.000 0.187 939 K C -1.195 175.395 176.600 -0.017 0.000 1.062 939 K CA -0.164 56.211 56.287 0.147 0.000 0.882 939 K CB 1.201 33.772 32.500 0.119 0.000 0.750 939 K HN 0.043 nan 8.250 nan 0.000 0.479 940 K N 1.637 122.016 120.400 -0.034 0.000 2.637 940 K HA 0.330 4.649 4.320 -0.002 0.000 0.248 940 K C -1.473 175.097 176.600 -0.050 0.000 0.971 940 K CA -0.837 55.374 56.287 -0.126 0.000 0.858 940 K CB 1.460 33.930 32.500 -0.049 0.000 1.170 940 K HN 0.169 nan 8.250 nan 0.000 0.443 941 Y N -0.412 119.848 120.300 -0.066 0.000 2.677 941 Y HA 0.634 5.183 4.550 -0.001 0.000 0.334 941 Y C -1.353 174.493 175.900 -0.090 0.000 1.196 941 Y CA -1.416 56.633 58.100 -0.084 0.000 1.059 941 Y CB 1.077 39.465 38.460 -0.121 0.000 1.315 941 Y HN 0.334 nan 8.280 nan 0.000 0.455 942 I N 1.609 122.273 120.570 0.157 0.000 2.498 942 I HA 0.832 5.001 4.170 -0.002 0.000 0.290 942 I C -0.075 176.031 176.117 -0.019 0.000 1.032 942 I CA -0.930 60.393 61.300 0.038 0.000 1.073 942 I CB 2.306 40.319 38.000 0.021 0.000 1.251 942 I HN 0.981 nan 8.210 nan 0.000 0.426 943 G N 4.371 113.026 108.800 -0.242 0.000 2.696 943 G HA2 0.641 4.600 3.960 -0.002 0.000 0.295 943 G HA3 0.641 4.600 3.960 -0.002 0.000 0.295 943 G C -1.555 173.217 174.900 -0.214 0.000 1.398 943 G CA -0.476 44.404 45.100 -0.367 0.000 0.920 943 G HN 0.296 nan 8.290 nan 0.000 0.492 944 V N 1.533 121.419 119.914 -0.047 0.000 2.532 944 V HA 0.473 4.592 4.120 -0.002 0.000 0.295 944 V C 0.076 176.306 176.094 0.226 0.000 1.041 944 V CA -0.576 61.762 62.300 0.063 0.000 0.926 944 V CB 1.583 33.462 31.823 0.094 0.000 0.992 944 V HN 0.589 nan 8.190 nan 0.000 0.457 945 I N 3.676 124.349 120.570 0.173 0.000 2.336 945 I HA 0.277 4.446 4.170 -0.002 0.000 0.292 945 I C -0.486 175.673 176.117 0.071 0.000 0.991 945 I CA -0.719 60.668 61.300 0.145 0.000 1.227 945 I CB 1.148 39.190 38.000 0.069 0.000 1.366 945 I HN 0.611 nan 8.210 nan 0.000 0.466 946 Y N 6.031 126.315 120.300 -0.028 0.000 2.729 946 Y HA 0.213 4.762 4.550 -0.001 0.000 0.331 946 Y C 1.241 177.114 175.900 -0.044 0.000 1.208 946 Y CA 1.169 59.244 58.100 -0.042 0.000 1.521 946 Y CB 0.218 38.637 38.460 -0.067 0.000 1.233 946 Y HN 0.825 nan 8.280 nan 0.000 0.539 947 G N 2.916 111.364 108.800 -0.586 0.000 2.176 947 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.253 947 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.253 947 G C 0.292 175.091 174.900 -0.169 0.000 0.979 947 G CA 0.106 44.980 45.100 -0.376 0.000 0.641 947 G HN 1.409 nan 8.290 nan 0.000 0.530 948 G N -0.894 107.838 108.800 -0.114 0.000 3.039 948 G HA2 0.670 4.629 3.960 -0.002 0.000 0.202 948 G HA3 0.670 4.629 3.960 -0.002 0.000 0.202 948 G C -0.364 174.531 174.900 -0.007 0.000 1.151 948 G CA 0.090 45.162 45.100 -0.047 0.000 0.836 948 G HN 0.442 nan 8.290 nan 0.000 0.598 949 K N -0.704 119.707 120.400 0.019 0.000 2.393 949 K HA 0.622 4.941 4.320 -0.002 0.000 0.241 949 K C -0.178 176.447 176.600 0.042 0.000 1.055 949 K CA -0.714 55.593 56.287 0.033 0.000 0.951 949 K CB 1.635 34.144 32.500 0.015 0.000 1.285 949 K HN 0.357 nan 8.250 nan 0.000 0.500 950 M N 1.704 121.313 119.600 0.014 0.000 2.242 950 M HA 0.231 4.710 4.480 -0.002 0.000 0.344 950 M C -1.299 174.994 176.300 -0.011 0.000 1.140 950 M CA -0.549 54.727 55.300 -0.040 0.000 1.160 950 M CB 0.585 33.118 32.600 -0.113 0.000 1.491 950 M HN 0.354 nan 8.290 nan 0.000 0.459 951 L N 6.004 127.229 121.223 0.003 0.000 2.381 951 L HA 0.623 4.962 4.340 -0.002 0.000 0.274 951 L C -1.641 175.231 176.870 0.003 0.000 0.988 951 L CA -0.110 54.769 54.840 0.065 0.000 0.824 951 L CB 1.528 43.729 42.059 0.237 0.000 1.263 951 L HN 0.624 nan 8.230 nan 0.000 0.410 952 I N 5.406 125.950 120.570 -0.044 0.000 2.418 952 I HA 0.462 4.631 4.170 -0.002 0.000 0.287 952 I C -0.573 175.441 176.117 -0.172 0.000 1.008 952 I CA -0.701 60.534 61.300 -0.109 0.000 1.104 952 I CB 1.532 39.474 38.000 -0.096 0.000 1.264 952 I HN 0.433 nan 8.210 nan 0.000 0.438 953 K N 4.376 124.576 120.400 -0.333 0.000 2.463 953 K HA 0.459 4.778 4.320 -0.002 0.000 0.255 953 K C 0.368 176.781 176.600 -0.311 0.000 0.942 953 K CA -0.449 55.597 56.287 -0.402 0.000 0.814 953 K CB 2.099 34.124 32.500 -0.792 0.000 1.122 953 K HN 0.907 nan 8.250 nan 0.000 0.425 954 G N 0.941 109.636 108.800 -0.176 0.000 2.147 954 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.244 954 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.244 954 G C -0.217 174.629 174.900 -0.091 0.000 1.005 954 G CA 0.297 45.330 45.100 -0.112 0.000 0.713 954 G HN 0.370 nan 8.290 nan 0.000 0.515 955 V N -0.327 119.528 119.914 -0.097 0.000 3.178 955 V HA 0.673 4.792 4.120 -0.002 0.000 0.302 955 V C -1.210 174.840 176.094 -0.074 0.000 1.262 955 V CA -0.874 61.378 62.300 -0.081 0.000 1.030 955 V CB 2.303 34.069 31.823 -0.094 0.000 1.074 955 V HN 0.312 nan 8.190 nan 0.000 0.438 956 D N 1.615 121.978 120.400 -0.062 0.000 2.490 956 D HA 0.585 5.224 4.640 -0.002 0.000 0.232 956 D C -0.178 176.084 176.300 -0.063 0.000 1.053 956 D CA -0.470 53.495 54.000 -0.058 0.000 0.914 956 D CB 3.085 43.860 40.800 -0.042 0.000 1.431 956 D HN 0.368 nan 8.370 nan 0.000 0.483 957 L N -0.260 120.925 121.223 -0.064 0.000 2.766 957 L HA 0.225 4.564 4.340 -0.002 0.000 0.242 957 L C -0.020 176.818 176.870 -0.052 0.000 1.136 957 L CA -0.040 54.760 54.840 -0.066 0.000 0.933 957 L CB 0.593 42.608 42.059 -0.073 0.000 1.241 957 L HN 0.085 nan 8.230 nan 0.000 0.522 958 V N -0.648 119.239 119.914 -0.045 0.000 3.046 958 V HA 0.568 4.687 4.120 -0.002 0.000 0.316 958 V C -0.597 175.482 176.094 -0.025 0.000 1.104 958 V CA -0.788 61.489 62.300 -0.038 0.000 1.006 958 V CB 2.434 34.232 31.823 -0.041 0.000 1.058 958 V HN 0.098 nan 8.190 nan 0.000 0.440 959 R N 1.038 121.528 120.500 -0.016 0.000 2.510 959 R HA 0.431 4.770 4.340 -0.002 0.000 0.287 959 R C 0.583 176.880 176.300 -0.004 0.000 1.084 959 R CA -0.679 55.418 56.100 -0.004 0.000 0.934 959 R CB 1.753 32.059 30.300 0.009 0.000 1.201 959 R HN 0.562 nan 8.270 nan 0.000 0.431 960 K N 1.093 121.491 120.400 -0.003 0.000 2.113 960 K HA -0.157 4.162 4.320 -0.002 0.000 0.208 960 K C 0.902 177.504 176.600 0.003 0.000 1.047 960 K CA 1.349 57.634 56.287 -0.003 0.000 0.928 960 K CB 0.048 32.547 32.500 -0.001 0.000 0.716 960 K HN 0.453 nan 8.250 nan 0.000 0.446 961 N N 1.201 119.909 118.700 0.013 0.000 2.453 961 N HA -0.072 4.667 4.740 -0.002 0.000 0.183 961 N C 0.310 175.831 175.510 0.018 0.000 1.041 961 N CA 0.323 53.386 53.050 0.021 0.000 0.900 961 N CB -0.206 38.302 38.487 0.035 0.000 0.961 961 N HN 0.341 nan 8.380 nan 0.000 0.443 962 N N -0.481 118.228 118.700 0.015 0.000 2.508 962 N HA 0.162 4.901 4.740 -0.002 0.000 0.285 962 N C 0.044 175.567 175.510 0.021 0.000 1.144 962 N CA -0.697 52.365 53.050 0.020 0.000 0.978 962 N CB 1.544 40.046 38.487 0.026 0.000 1.180 962 N HN 0.150 nan 8.380 nan 0.000 0.484 963 C N 0.730 120.064 119.300 0.056 0.000 2.656 963 C HA 0.473 4.932 4.460 -0.002 0.000 0.391 963 C C 2.040 177.036 174.990 0.010 0.000 1.300 963 C CA -0.447 58.600 59.018 0.048 0.000 2.302 963 C CB -0.311 27.502 27.740 0.121 0.000 2.655 963 C HN 0.856 nan 8.230 nan 0.000 0.656 964 A N 1.928 124.727 122.820 -0.034 0.000 1.903 964 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 964 A C 1.863 179.398 177.584 -0.082 0.000 1.191 964 A CA 2.246 54.245 52.037 -0.063 0.000 0.638 964 A CB -1.120 17.833 19.000 -0.078 0.000 0.823 964 A HN 1.310 nan 8.150 nan 0.000 0.451 965 F N 0.208 119.975 119.950 -0.305 0.000 2.126 965 F HA -0.149 4.377 4.527 -0.002 0.000 0.299 965 F C 1.927 177.615 175.800 -0.187 0.000 1.096 965 F CA 1.876 59.653 58.000 -0.371 0.000 1.255 965 F CB -0.170 38.305 39.000 -0.875 0.000 0.997 965 F HN 0.189 nan 8.300 nan 0.000 0.479 966 I N 0.469 120.989 120.570 -0.083 0.000 2.394 966 I HA -0.279 3.890 4.170 -0.002 0.000 0.251 966 I C 1.813 177.818 176.117 -0.186 0.000 1.136 966 I CA 0.880 62.084 61.300 -0.161 0.000 1.425 966 I CB -0.497 37.560 38.000 0.094 0.000 1.079 966 I HN 0.224 nan 8.210 nan 0.000 0.425 967 N N 0.861 119.484 118.700 -0.129 0.000 2.171 967 N HA -0.104 4.635 4.740 -0.002 0.000 0.184 967 N C 1.919 177.342 175.510 -0.145 0.000 1.021 967 N CA 1.115 54.100 53.050 -0.108 0.000 0.854 967 N CB -0.181 38.262 38.487 -0.073 0.000 0.994 967 N HN 0.265 nan 8.380 nan 0.000 0.426 968 R N -0.094 120.294 120.500 -0.186 0.000 2.075 968 R HA 0.042 4.381 4.340 -0.002 0.000 0.232 968 R C 2.026 178.201 176.300 -0.209 0.000 1.126 968 R CA 1.496 57.489 56.100 -0.178 0.000 0.963 968 R CB -0.287 29.912 30.300 -0.168 0.000 0.858 968 R HN 0.196 nan 8.270 nan 0.000 0.435 969 T N -0.115 114.247 114.554 -0.320 0.000 2.770 969 T HA -0.146 4.202 4.350 -0.002 0.000 0.263 969 T C 1.917 176.494 174.700 -0.206 0.000 1.039 969 T CA 1.446 63.359 62.100 -0.313 0.000 1.142 969 T CB -0.305 68.261 68.868 -0.504 0.000 0.868 969 T HN 0.343 nan 8.240 nan 0.000 0.435 970 S N 1.959 117.553 115.700 -0.178 0.000 2.387 970 S HA -0.245 4.224 4.470 -0.002 0.000 0.230 970 S C 2.128 176.713 174.600 -0.025 0.000 1.035 970 S CA 1.642 59.798 58.200 -0.074 0.000 1.014 970 S CB -0.270 62.893 63.200 -0.061 0.000 0.836 970 S HN 0.387 nan 8.310 nan 0.000 0.466 971 R N 1.715 122.175 120.500 -0.066 0.000 2.057 971 R HA 0.245 4.584 4.340 -0.002 0.000 0.229 971 R C 2.542 178.820 176.300 -0.037 0.000 1.136 971 R CA 1.731 57.801 56.100 -0.049 0.000 0.952 971 R CB -1.429 28.821 30.300 -0.082 0.000 0.848 971 R HN 0.409 nan 8.270 nan 0.000 0.430 972 A N 1.057 123.828 122.820 -0.081 0.000 1.971 972 A HA -0.211 4.108 4.320 -0.002 0.000 0.222 972 A C 2.258 179.807 177.584 -0.057 0.000 1.182 972 A CA 1.976 53.963 52.037 -0.084 0.000 0.649 972 A CB -0.899 18.029 19.000 -0.119 0.000 0.818 972 A HN 0.400 nan 8.150 nan 0.000 0.458 973 L N -0.315 120.865 121.223 -0.072 0.000 1.970 973 L HA -0.229 4.110 4.340 -0.002 0.000 0.212 973 L C 2.654 179.690 176.870 0.277 0.000 1.071 973 L CA 1.894 56.691 54.840 -0.072 0.000 0.751 973 L CB -0.897 41.080 42.059 -0.136 0.000 0.889 973 L HN 0.418 nan 8.230 nan 0.000 0.432 974 V N -2.513 117.653 119.914 0.421 0.000 2.469 974 V HA -0.255 3.864 4.120 -0.002 0.000 0.251 974 V C 1.892 178.224 176.094 0.396 0.000 1.064 974 V CA 1.911 64.509 62.300 0.496 0.000 1.066 974 V CB -0.841 31.149 31.823 0.279 0.000 0.667 974 V HN 0.371 nan 8.190 nan 0.000 0.461 975 D N 0.317 120.833 120.400 0.193 0.000 2.117 975 D HA -0.079 4.560 4.640 -0.002 0.000 0.198 975 D C 1.985 178.407 176.300 0.204 0.000 0.982 975 D CA 1.013 55.086 54.000 0.122 0.000 0.828 975 D CB -0.352 40.386 40.800 -0.103 0.000 0.967 975 D HN 0.350 nan 8.370 nan 0.000 0.464 976 L N 0.554 121.859 121.223 0.136 0.000 2.043 976 L HA -0.148 4.191 4.340 -0.002 0.000 0.212 976 L C 2.167 179.099 176.870 0.103 0.000 1.075 976 L CA 1.170 56.080 54.840 0.116 0.000 0.752 976 L CB -0.765 41.340 42.059 0.076 0.000 0.891 976 L HN 0.078 nan 8.230 nan 0.000 0.432 977 L N -2.085 119.193 121.223 0.091 0.000 2.131 977 L HA -0.176 4.163 4.340 -0.002 0.000 0.210 977 L C 1.989 178.694 176.870 -0.276 0.000 1.092 977 L CA 1.745 56.458 54.840 -0.212 0.000 0.759 977 L CB -0.449 41.453 42.059 -0.262 0.000 0.903 977 L HN 0.175 nan 8.230 nan 0.000 0.435 978 F N -3.030 117.030 119.950 0.183 0.000 2.505 978 F HA 0.009 4.534 4.527 -0.002 0.000 0.289 978 F C 1.459 177.437 175.800 0.296 0.000 1.101 978 F CA 0.624 58.821 58.000 0.329 0.000 1.446 978 F CB -0.033 39.230 39.000 0.438 0.000 1.123 978 F HN -0.030 nan 8.300 nan 0.000 0.564 979 Y N -1.258 119.171 120.300 0.214 0.000 2.498 979 Y HA 0.123 4.672 4.550 -0.002 0.000 0.259 979 Y C 0.571 176.518 175.900 0.079 0.000 1.086 979 Y CA -0.352 57.832 58.100 0.139 0.000 1.287 979 Y CB 0.126 38.654 38.460 0.113 0.000 1.146 979 Y HN -0.241 nan 8.280 nan 0.000 0.523 980 D N 0.781 121.292 120.400 0.185 0.000 2.396 980 D HA 0.021 4.660 4.640 -0.002 0.000 0.225 980 D C 0.343 176.670 176.300 0.045 0.000 1.121 980 D CA 0.147 54.201 54.000 0.090 0.000 0.853 980 D CB 0.810 41.646 40.800 0.060 0.000 1.043 980 D HN 0.214 nan 8.370 nan 0.000 0.500 981 D N 2.276 122.698 120.400 0.037 0.000 2.178 981 D HA -0.125 4.514 4.640 -0.002 0.000 0.201 981 D C 1.421 177.725 176.300 0.006 0.000 0.980 981 D CA 1.167 55.181 54.000 0.023 0.000 0.842 981 D CB 0.382 41.194 40.800 0.019 0.000 0.948 981 D HN 0.466 nan 8.370 nan 0.000 0.472 982 T N 0.809 115.363 114.554 -0.001 0.000 2.746 982 T HA -0.090 4.259 4.350 -0.002 0.000 0.267 982 T C 2.301 176.973 174.700 -0.048 0.000 1.039 982 T CA 0.716 62.806 62.100 -0.016 0.000 1.142 982 T CB -0.225 68.635 68.868 -0.012 0.000 0.866 982 T HN 0.009 nan 8.240 nan 0.000 0.444 983 V N 1.435 121.311 119.914 -0.064 0.000 2.626 983 V HA -0.110 4.009 4.120 -0.002 0.000 0.252 983 V C 2.618 178.600 176.094 -0.186 0.000 1.067 983 V CA 1.438 63.654 62.300 -0.139 0.000 1.081 983 V CB -0.756 30.987 31.823 -0.132 0.000 0.686 983 V HN 0.408 nan 8.190 nan 0.000 0.468 984 S N 0.801 116.442 115.700 -0.098 0.000 2.387 984 S HA -0.047 4.422 4.470 -0.002 0.000 0.226 984 S C 2.075 176.712 174.600 0.061 0.000 1.026 984 S CA 1.281 59.472 58.200 -0.014 0.000 0.972 984 S CB -0.401 62.863 63.200 0.106 0.000 0.814 984 S HN 0.680 nan 8.310 nan 0.000 0.477 985 G N 1.289 110.095 108.800 0.010 0.000 2.394 985 G HA2 0.057 4.016 3.960 -0.002 0.000 0.214 985 G HA3 0.057 4.016 3.960 -0.002 0.000 0.214 985 G C 1.579 176.464 174.900 -0.024 0.000 1.176 985 G CA 0.721 45.827 45.100 0.011 0.000 0.786 985 G HN 0.537 nan 8.290 nan 0.000 0.533 986 A N 1.392 124.169 122.820 -0.071 0.000 1.883 986 A HA 0.182 4.500 4.320 -0.002 0.000 0.217 986 A C 2.818 180.287 177.584 -0.192 0.000 1.186 986 A CA 2.435 54.402 52.037 -0.117 0.000 0.624 986 A CB -0.895 18.027 19.000 -0.131 0.000 0.822 986 A HN 0.820 nan 8.150 nan 0.000 0.444 987 A N -0.246 122.422 122.820 -0.253 0.000 1.940 987 A HA 0.120 4.439 4.320 -0.002 0.000 0.219 987 A C 2.496 180.005 177.584 -0.126 0.000 1.176 987 A CA 2.213 54.047 52.037 -0.339 0.000 0.631 987 A CB -0.987 17.640 19.000 -0.623 0.000 0.814 987 A HN 1.102 nan 8.150 nan 0.000 0.446 988 A N -0.185 122.664 122.820 0.048 0.000 1.902 988 A HA 0.183 4.502 4.320 -0.002 0.000 0.217 988 A C 2.460 180.049 177.584 0.008 0.000 1.181 988 A CA 1.940 54.016 52.037 0.066 0.000 0.623 988 A CB -0.972 18.063 19.000 0.059 0.000 0.818 988 A HN 1.117 nan 8.150 nan 0.000 0.443 989 A N -0.369 122.455 122.820 0.007 0.000 2.070 989 A HA 0.032 4.351 4.320 -0.002 0.000 0.220 989 A C 2.027 179.708 177.584 0.161 0.000 1.159 989 A CA 1.242 53.322 52.037 0.071 0.000 0.656 989 A CB -0.594 18.447 19.000 0.068 0.000 0.800 989 A HN 0.490 nan 8.150 nan 0.000 0.453 990 L N -0.947 120.281 121.223 0.008 0.000 2.191 990 L HA -0.187 4.152 4.340 -0.002 0.000 0.212 990 L C 2.877 179.921 176.870 0.290 0.000 1.103 990 L CA 0.913 55.788 54.840 0.060 0.000 0.769 990 L CB -0.436 41.407 42.059 -0.359 0.000 0.908 990 L HN 0.421 nan 8.230 nan 0.000 0.438 991 A N -0.351 122.535 122.820 0.110 0.000 2.172 991 A HA -0.139 4.180 4.320 -0.002 0.000 0.216 991 A C 1.689 179.347 177.584 0.123 0.000 1.154 991 A CA 0.863 52.951 52.037 0.086 0.000 0.701 991 A CB -0.375 18.616 19.000 -0.014 0.000 0.789 991 A HN 0.419 nan 8.150 nan 0.000 0.465 992 E N -0.817 119.485 120.200 0.169 0.000 2.301 992 E HA 0.245 4.594 4.350 -0.002 0.000 0.195 992 E C -0.172 176.456 176.600 0.047 0.000 1.171 992 E CA -0.081 56.385 56.400 0.109 0.000 1.142 992 E CB -0.118 29.651 29.700 0.114 0.000 1.218 992 E HN 0.390 nan 8.360 nan 0.000 0.448 993 R N 0.438 120.968 120.500 0.050 0.000 4.264 993 R HA 0.104 4.443 4.340 -0.002 0.000 0.269 993 R C -2.979 173.295 176.300 -0.042 0.000 1.051 993 R CA -1.253 54.762 56.100 -0.141 0.000 1.332 993 R CB 0.616 30.590 30.300 -0.543 0.000 1.251 993 R HN -0.119 nan 8.270 nan 0.000 0.538 994 P HA 0.066 nan 4.420 nan 0.000 0.265 994 P C 0.413 177.772 177.300 0.098 0.000 1.193 994 P CA 0.466 63.585 63.100 0.032 0.000 0.765 994 P CB 1.040 32.738 31.700 -0.003 0.000 0.823 995 A N 4.419 127.383 122.820 0.240 0.000 1.899 995 A HA -0.356 3.963 4.320 -0.002 0.000 0.230 995 A C 1.920 179.622 177.584 0.195 0.000 1.593 995 A CA 2.635 54.869 52.037 0.329 0.000 0.728 995 A CB -1.729 17.418 19.000 0.245 0.000 0.848 995 A HN 0.645 nan 8.150 nan 0.000 0.490 996 E N -0.278 119.973 120.200 0.085 0.000 2.209 996 E HA -0.167 4.182 4.350 -0.002 0.000 0.196 996 E C 1.902 178.500 176.600 -0.004 0.000 0.993 996 E CA 1.263 57.681 56.400 0.032 0.000 0.819 996 E CB -0.098 29.608 29.700 0.011 0.000 0.745 996 E HN 0.797 nan 8.360 nan 0.000 0.477 997 E N -0.590 119.569 120.200 -0.068 0.000 2.299 997 E HA -0.114 4.235 4.350 -0.002 0.000 0.193 997 E C 1.436 177.928 176.600 -0.179 0.000 0.998 997 E CA 0.469 56.767 56.400 -0.170 0.000 0.851 997 E CB -0.182 29.347 29.700 -0.285 0.000 0.795 997 E HN 0.493 nan 8.360 nan 0.000 0.492 998 W N 1.368 122.680 121.300 0.020 0.000 2.467 998 W HA 0.060 4.719 4.660 -0.002 0.000 0.275 998 W C 2.070 178.558 176.519 -0.052 0.000 1.239 998 W CA 0.007 57.356 57.345 0.008 0.000 1.266 998 W CB -0.200 29.300 29.460 0.067 0.000 1.112 998 W HN -0.026 nan 8.180 nan 0.000 0.576 999 L N 0.076 121.374 121.223 0.124 0.000 2.191 999 L HA -0.197 4.142 4.340 -0.002 0.000 0.212 999 L C 2.567 179.451 176.870 0.024 0.000 1.103 999 L CA 1.227 56.086 54.840 0.031 0.000 0.769 999 L CB -0.892 41.165 42.059 -0.004 0.000 0.908 999 L HN 0.016 nan 8.230 nan 0.000 0.438 1000 A N 0.271 123.102 122.820 0.019 0.000 2.016 1000 A HA -0.019 4.300 4.320 -0.002 0.000 0.217 1000 A C 1.218 178.812 177.584 0.017 0.000 1.162 1000 A CA 0.499 52.536 52.037 0.000 0.000 0.662 1000 A CB -0.125 18.858 19.000 -0.027 0.000 0.812 1000 A HN 0.490 nan 8.150 nan 0.000 0.450 1001 R N -1.363 119.173 120.500 0.059 0.000 2.905 1001 R HA 0.646 4.985 4.340 -0.002 0.000 0.260 1001 R C -3.397 172.998 176.300 0.159 0.000 1.086 1001 R CA -2.057 54.095 56.100 0.087 0.000 0.978 1001 R CB 0.336 30.672 30.300 0.060 0.000 1.215 1001 R HN -0.123 nan 8.270 nan 0.000 0.480 1002 P HA 0.228 nan 4.420 nan 0.000 0.284 1002 P C -0.512 176.892 177.300 0.174 0.000 1.253 1002 P CA -0.577 62.587 63.100 0.107 0.000 0.800 1002 P CB 0.682 32.418 31.700 0.060 0.000 0.961 1003 L N 4.348 125.590 121.223 0.031 0.000 2.483 1003 L HA 0.177 4.516 4.340 -0.002 0.000 0.275 1003 L C -1.532 175.291 176.870 -0.078 0.000 1.220 1003 L CA -1.575 53.185 54.840 -0.134 0.000 0.833 1003 L CB -0.732 41.229 42.059 -0.164 0.000 1.102 1003 L HN 0.293 nan 8.230 nan 0.000 0.490 1004 P HA -0.011 nan 4.420 nan 0.000 0.265 1004 P C 0.083 177.375 177.300 -0.015 0.000 1.193 1004 P CA 0.061 63.130 63.100 -0.052 0.000 0.765 1004 P CB 0.542 32.184 31.700 -0.098 0.000 0.823 1005 E N 1.977 122.189 120.200 0.020 0.000 2.265 1005 E HA -0.128 4.221 4.350 -0.002 0.000 0.196 1005 E C 2.104 178.717 176.600 0.021 0.000 0.996 1005 E CA 1.095 57.517 56.400 0.036 0.000 0.832 1005 E CB -0.446 29.275 29.700 0.035 0.000 0.756 1005 E HN 0.701 nan 8.360 nan 0.000 0.491 1006 G N 0.747 109.540 108.800 -0.011 0.000 2.527 1006 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.219 1006 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.219 1006 G C 1.316 176.181 174.900 -0.058 0.000 1.117 1006 G CA 0.355 45.436 45.100 -0.032 0.000 0.759 1006 G HN 0.164 nan 8.290 nan 0.000 0.556 1007 L N -0.441 120.749 121.223 -0.056 0.000 2.591 1007 L HA 0.138 4.477 4.340 -0.002 0.000 0.228 1007 L C 2.547 179.352 176.870 -0.108 0.000 1.133 1007 L CA -0.002 54.767 54.840 -0.119 0.000 0.880 1007 L CB -0.183 41.808 42.059 -0.114 0.000 1.033 1007 L HN 0.228 nan 8.230 nan 0.000 0.450 1008 Q N 0.881 120.682 119.800 0.001 0.000 2.142 1008 Q HA -0.335 4.004 4.340 -0.002 0.000 0.213 1008 Q C 2.332 178.297 176.000 -0.060 0.000 1.004 1008 Q CA 2.584 58.400 55.803 0.021 0.000 0.883 1008 Q CB -0.118 28.643 28.738 0.038 0.000 0.939 1008 Q HN 0.634 nan 8.270 nan 0.000 0.413 1009 A N -0.575 122.211 122.820 -0.057 0.000 1.969 1009 A HA -0.167 4.152 4.320 -0.002 0.000 0.218 1009 A C 1.752 179.278 177.584 -0.097 0.000 1.169 1009 A CA 1.000 53.003 52.037 -0.057 0.000 0.635 1009 A CB -0.740 18.242 19.000 -0.030 0.000 0.810 1009 A HN 0.531 nan 8.150 nan 0.000 0.445 1010 F N 1.046 120.784 119.950 -0.355 0.000 2.069 1010 F HA -0.069 4.458 4.527 -0.001 0.000 0.298 1010 F C 2.430 177.916 175.800 -0.524 0.000 1.113 1010 F CA 1.625 59.343 58.000 -0.472 0.000 1.214 1010 F CB -0.729 37.887 39.000 -0.641 0.000 0.978 1010 F HN 0.235 nan 8.300 nan 0.000 0.474 1011 G N -0.680 107.756 108.800 -0.606 0.000 2.422 1011 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.218 1011 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.218 1011 G C 1.819 176.649 174.900 -0.116 0.000 1.146 1011 G CA 0.785 45.614 45.100 -0.451 0.000 0.769 1011 G HN 0.593 nan 8.290 nan 0.000 0.547 1012 A N 0.136 122.897 122.820 -0.098 0.000 1.940 1012 A HA 0.053 4.372 4.320 -0.002 0.000 0.219 1012 A C 2.593 180.161 177.584 -0.027 0.000 1.176 1012 A CA 1.808 53.833 52.037 -0.021 0.000 0.631 1012 A CB -0.539 18.451 19.000 -0.018 0.000 0.814 1012 A HN 0.265 nan 8.150 nan 0.000 0.446 1013 V N -0.028 119.815 119.914 -0.119 0.000 2.343 1013 V HA -0.250 3.869 4.120 -0.002 0.000 0.247 1013 V C 2.557 178.625 176.094 -0.044 0.000 1.051 1013 V CA 1.984 64.209 62.300 -0.125 0.000 1.036 1013 V CB -0.737 30.929 31.823 -0.261 0.000 0.654 1013 V HN 0.574 nan 8.190 nan 0.000 0.451 1014 L N -0.804 120.394 121.223 -0.041 0.000 2.005 1014 L HA -0.123 4.216 4.340 -0.002 0.000 0.207 1014 L C 2.519 179.622 176.870 0.389 0.000 1.072 1014 L CA 1.053 56.001 54.840 0.179 0.000 0.744 1014 L CB -0.828 41.333 42.059 0.170 0.000 0.895 1014 L HN 0.130 nan 8.230 nan 0.000 0.433 1015 V N 0.175 120.281 119.914 0.319 0.000 2.278 1015 V HA -0.398 3.721 4.120 -0.002 0.000 0.251 1015 V C 2.365 178.648 176.094 0.315 0.000 1.062 1015 V CA 2.316 64.842 62.300 0.377 0.000 1.038 1015 V CB -0.484 31.493 31.823 0.257 0.000 0.646 1015 V HN 0.574 nan 8.190 nan 0.000 0.447 1016 D N -0.667 119.855 120.400 0.204 0.000 2.178 1016 D HA -0.110 4.529 4.640 -0.002 0.000 0.202 1016 D C 2.141 178.550 176.300 0.183 0.000 0.974 1016 D CA 1.384 55.479 54.000 0.157 0.000 0.841 1016 D CB 0.222 41.076 40.800 0.090 0.000 0.953 1016 D HN 0.452 nan 8.370 nan 0.000 0.478 1017 A N -0.193 122.773 122.820 0.244 0.000 1.898 1017 A HA -0.193 4.126 4.320 -0.002 0.000 0.216 1017 A C 2.023 179.812 177.584 0.342 0.000 1.181 1017 A CA 1.722 53.979 52.037 0.368 0.000 0.620 1017 A CB -0.921 18.311 19.000 0.388 0.000 0.819 1017 A HN 0.370 nan 8.150 nan 0.000 0.442 1018 H N -0.097 118.996 119.070 0.038 0.000 2.353 1018 H HA -0.126 4.429 4.556 -0.002 0.000 0.298 1018 H C 2.218 177.311 175.328 -0.392 0.000 1.103 1018 H CA 2.180 57.941 56.048 -0.479 0.000 1.293 1018 H CB 0.108 29.273 29.762 -0.994 0.000 1.372 1018 H HN 0.296 nan 8.280 nan 0.000 0.501 1019 R N 0.022 120.463 120.500 -0.098 0.000 2.115 1019 R HA -0.026 4.313 4.340 -0.002 0.000 0.226 1019 R C 2.450 178.699 176.300 -0.084 0.000 1.100 1019 R CA 0.880 56.922 56.100 -0.096 0.000 0.980 1019 R CB -0.376 29.947 30.300 0.037 0.000 0.875 1019 R HN 0.277 nan 8.270 nan 0.000 0.445 1020 R N 0.868 121.381 120.500 0.021 0.000 2.105 1020 R HA -0.033 4.306 4.340 -0.002 0.000 0.239 1020 R C 2.195 178.453 176.300 -0.070 0.000 1.135 1020 R CA 1.240 57.387 56.100 0.078 0.000 0.967 1020 R CB -0.271 30.219 30.300 0.316 0.000 0.861 1020 R HN 0.204 nan 8.270 nan 0.000 0.442 1021 I N -0.901 119.520 120.570 -0.248 0.000 2.235 1021 I HA -0.194 3.975 4.170 -0.002 0.000 0.241 1021 I C 2.018 177.827 176.117 -0.512 0.000 1.085 1021 I CA 1.581 62.534 61.300 -0.579 0.000 1.378 1021 I CB -0.496 37.155 38.000 -0.582 0.000 1.076 1021 I HN 0.292 nan 8.210 nan 0.000 0.415 1022 T N -2.267 112.016 114.554 -0.450 0.000 2.951 1022 T HA -0.012 4.337 4.350 -0.002 0.000 0.268 1022 T C 0.751 175.301 174.700 -0.250 0.000 1.073 1022 T CA 0.476 62.351 62.100 -0.376 0.000 1.134 1022 T CB -0.383 68.249 68.868 -0.392 0.000 0.884 1022 T HN 0.168 nan 8.240 nan 0.000 0.479 1023 D N 2.471 122.746 120.400 -0.209 0.000 2.340 1023 D HA 0.197 4.836 4.640 -0.002 0.000 0.251 1023 D C -2.125 174.098 176.300 -0.128 0.000 1.080 1023 D CA -2.000 51.920 54.000 -0.133 0.000 0.971 1023 D CB 1.331 42.078 40.800 -0.088 0.000 1.137 1023 D HN 0.062 nan 8.370 nan 0.000 0.475 1024 P HA -0.033 nan 4.420 nan 0.000 0.272 1024 P C -0.415 176.840 177.300 -0.075 0.000 1.542 1024 P CA 0.312 63.362 63.100 -0.083 0.000 0.846 1024 P CB -0.068 31.596 31.700 -0.060 0.000 1.782 1025 E N 1.271 121.415 120.200 -0.093 0.000 2.089 1025 E HA 0.151 4.500 4.350 -0.002 0.000 0.284 1025 E C 0.535 177.111 176.600 -0.040 0.000 1.023 1025 E CA -0.406 55.958 56.400 -0.060 0.000 0.819 1025 E CB 0.507 30.172 29.700 -0.058 0.000 1.076 1025 E HN 0.229 nan 8.360 nan 0.000 0.396 1026 R N 2.608 123.095 120.500 -0.023 0.000 4.154 1026 R HA 0.064 4.403 4.340 -0.002 0.000 0.186 1026 R C -0.421 175.884 176.300 0.007 0.000 1.750 1026 R CA 0.054 56.147 56.100 -0.013 0.000 1.431 1026 R CB -0.156 30.134 30.300 -0.016 0.000 1.383 1026 R HN 0.176 nan 8.270 nan 0.000 0.788 1027 D N 1.171 121.589 120.400 0.031 0.000 2.337 1027 D HA 0.125 4.764 4.640 -0.002 0.000 0.238 1027 D C 0.320 176.680 176.300 0.100 0.000 1.331 1027 D CA -0.389 53.637 54.000 0.043 0.000 0.967 1027 D CB 0.710 41.526 40.800 0.027 0.000 1.382 1027 D HN 0.017 nan 8.370 nan 0.000 0.549 1028 I N 1.666 122.276 120.570 0.066 0.000 2.406 1028 I HA -0.108 4.061 4.170 -0.002 0.000 0.249 1028 I C 2.459 178.642 176.117 0.110 0.000 1.122 1028 I CA 0.830 62.185 61.300 0.092 0.000 1.431 1028 I CB -0.333 37.673 38.000 0.011 0.000 1.087 1028 I HN 0.455 nan 8.210 nan 0.000 0.424 1029 Q N 0.328 120.156 119.800 0.047 0.000 2.197 1029 Q HA -0.335 4.004 4.340 -0.002 0.000 0.211 1029 Q C 1.757 177.748 176.000 -0.015 0.000 0.993 1029 Q CA 2.091 57.903 55.803 0.016 0.000 0.883 1029 Q CB -0.357 28.381 28.738 0.000 0.000 0.916 1029 Q HN 0.483 nan 8.270 nan 0.000 0.418 1030 D N -0.710 119.657 120.400 -0.055 0.000 2.218 1030 D HA -0.132 4.507 4.640 -0.002 0.000 0.204 1030 D C 0.549 176.616 176.300 -0.389 0.000 0.976 1030 D CA 0.898 54.770 54.000 -0.213 0.000 0.853 1030 D CB 0.032 40.655 40.800 -0.295 0.000 0.939 1030 D HN 0.193 nan 8.370 nan 0.000 0.481 1031 F N -0.425 119.434 119.950 -0.152 0.000 2.664 1031 F HA 0.207 4.733 4.527 -0.002 0.000 0.303 1031 F C 0.468 176.240 175.800 -0.046 0.000 1.092 1031 F CA -0.359 57.508 58.000 -0.223 0.000 1.305 1031 F CB 0.288 38.909 39.000 -0.632 0.000 1.054 1031 F HN -0.302 nan 8.300 nan 0.000 0.565 1032 V N 2.983 122.931 119.914 0.057 0.000 2.572 1032 V HA 0.071 4.190 4.120 -0.002 0.000 0.291 1032 V C 0.372 176.412 176.094 -0.089 0.000 1.039 1032 V CA -0.295 61.996 62.300 -0.016 0.000 1.055 1032 V CB 0.912 32.722 31.823 -0.021 0.000 0.969 1032 V HN 0.122 nan 8.190 nan 0.000 0.482 1033 L N 4.068 125.107 121.223 -0.306 0.000 2.313 1033 L HA 0.655 4.994 4.340 -0.002 0.000 0.268 1033 L C 0.404 177.044 176.870 -0.384 0.000 1.010 1033 L CA -0.434 54.162 54.840 -0.407 0.000 0.814 1033 L CB 2.214 43.869 42.059 -0.673 0.000 1.304 1033 L HN 0.664 nan 8.230 nan 0.000 0.441 1034 T N -0.207 114.284 114.554 -0.105 0.000 3.794 1034 T HA 0.390 4.739 4.350 -0.002 0.000 0.300 1034 T C -0.071 174.737 174.700 0.179 0.000 0.961 1034 T CA -0.296 61.862 62.100 0.097 0.000 1.025 1034 T CB 0.692 69.588 68.868 0.046 0.000 1.175 1034 T HN 0.587 nan 8.240 nan 0.000 0.474 1068 I N 2.605 123.191 120.570 0.026 0.000 2.151 1068 I HA -0.184 3.985 4.170 -0.002 0.000 0.243 1068 I C 1.917 178.048 176.117 0.023 0.000 1.080 1068 I CA 1.741 63.054 61.300 0.022 0.000 1.339 1068 I CB -0.648 37.364 38.000 0.020 0.000 1.039 1068 I HN 0.419 nan 8.210 nan 0.000 0.409 1069 K N 0.907 121.323 120.400 0.026 0.000 3.017 1069 K HA -0.077 4.242 4.320 -0.002 0.000 0.359 1069 K C 1.325 177.949 176.600 0.041 0.000 1.033 1069 K CA 0.473 56.777 56.287 0.028 0.000 1.190 1069 K CB -0.481 32.035 32.500 0.028 0.000 1.083 1069 K HN -0.024 nan 8.250 nan 0.000 0.470 1070 D N 0.638 121.069 120.400 0.050 0.000 2.897 1070 D HA -0.336 4.303 4.640 -0.002 0.000 0.560 1070 D C 1.753 178.100 176.300 0.078 0.000 0.994 1070 D CA 1.775 55.819 54.000 0.073 0.000 1.576 1070 D CB -0.360 40.473 40.800 0.054 0.000 0.580 1070 D HN 0.283 nan 8.370 nan 0.000 0.491 1071 R N -0.066 120.464 120.500 0.050 0.000 2.424 1071 R HA -0.232 4.107 4.340 -0.002 0.000 0.257 1071 R C 0.896 177.230 176.300 0.057 0.000 1.058 1071 R CA 0.637 56.761 56.100 0.041 0.000 0.959 1071 R CB -1.273 29.041 30.300 0.024 0.000 0.886 1071 R HN 0.355 nan 8.270 nan 0.000 0.476 1072 I N 2.928 123.541 120.570 0.070 0.000 2.691 1072 I HA -0.007 4.162 4.170 -0.002 0.000 0.288 1072 I C -1.967 174.245 176.117 0.159 0.000 1.143 1072 I CA -1.856 59.496 61.300 0.087 0.000 1.364 1072 I CB -0.085 37.951 38.000 0.060 0.000 1.435 1072 I HN -0.051 nan 8.210 nan 0.000 0.551 1073 P HA 0.242 nan 4.420 nan 0.000 0.275 1073 P C -1.223 176.203 177.300 0.210 0.000 1.227 1073 P CA -0.013 63.159 63.100 0.121 0.000 0.781 1073 P CB 0.460 32.196 31.700 0.061 0.000 0.906 1074 Y N -0.069 120.252 120.300 0.034 0.000 2.715 1074 Y HA 0.858 5.407 4.550 -0.002 0.000 0.331 1074 Y C -1.549 174.390 175.900 0.065 0.000 1.197 1074 Y CA -1.428 56.691 58.100 0.031 0.000 1.079 1074 Y CB 0.732 39.193 38.460 0.000 0.000 1.298 1074 Y HN 0.114 nan 8.280 nan 0.000 0.477 1075 V N 2.305 122.327 119.914 0.181 0.000 3.049 1075 V HA 0.398 4.517 4.120 -0.002 0.000 0.309 1075 V C -0.942 175.260 176.094 0.180 0.000 1.148 1075 V CA -0.901 61.477 62.300 0.131 0.000 0.990 1075 V CB 2.268 34.164 31.823 0.121 0.000 1.039 1075 V HN 0.594 nan 8.190 nan 0.000 0.430 1076 I N 3.416 124.067 120.570 0.135 0.000 2.396 1076 I HA 0.521 4.690 4.170 -0.002 0.000 0.292 1076 I C 0.074 176.216 176.117 0.042 0.000 0.999 1076 I CA -0.190 61.075 61.300 -0.059 0.000 1.310 1076 I CB 1.353 39.010 38.000 -0.572 0.000 1.404 1076 I HN 0.219 nan 8.210 nan 0.000 0.496 1077 V N 4.448 124.355 119.914 -0.010 0.000 2.960 1077 V HA 0.706 4.825 4.120 -0.002 0.000 0.315 1077 V C 0.386 176.473 176.094 -0.012 0.000 1.087 1077 V CA -0.991 61.312 62.300 0.005 0.000 0.982 1077 V CB 2.063 33.898 31.823 0.020 0.000 1.039 1077 V HN 0.902 nan 8.190 nan 0.000 0.437 1078 A N 2.062 124.876 122.820 -0.010 0.000 2.386 1078 A HA 0.429 4.748 4.320 -0.002 0.000 0.248 1078 A C 0.315 177.895 177.584 -0.006 0.000 1.082 1078 A CA -0.198 51.834 52.037 -0.008 0.000 0.789 1078 A CB 0.105 19.095 19.000 -0.017 0.000 1.025 1078 A HN 0.838 nan 8.150 nan 0.000 0.490 1137 L N 3.387 124.615 121.223 0.008 0.000 2.504 1137 L HA 0.395 4.734 4.340 -0.002 0.000 0.265 1137 L C -0.472 176.404 176.870 0.011 0.000 0.975 1137 L CA -0.821 54.027 54.840 0.012 0.000 0.864 1137 L CB 1.512 43.582 42.059 0.019 0.000 1.212 1137 L HN 0.487 nan 8.230 nan 0.000 0.416 1138 L N 2.932 124.158 121.223 0.005 0.000 2.472 1138 L HA 0.460 4.799 4.340 -0.002 0.000 0.260 1138 L C -0.120 176.751 176.870 0.001 0.000 1.209 1138 L CA -0.777 54.060 54.840 -0.004 0.000 0.817 1138 L CB 0.976 43.026 42.059 -0.016 0.000 1.106 1138 L HN 0.254 nan 8.230 nan 0.000 0.479 1139 V N 0.212 120.121 119.914 -0.007 0.000 2.385 1139 V HA 0.133 4.252 4.120 -0.002 0.000 0.277 1139 V C 0.297 176.377 176.094 -0.024 0.000 1.012 1139 V CA -0.639 61.662 62.300 0.002 0.000 0.832 1139 V CB 0.821 32.653 31.823 0.014 0.000 1.028 1139 V HN 0.907 nan 8.190 nan 0.000 0.436 1140 S N 2.831 118.498 115.700 -0.055 0.000 3.425 1140 S HA -0.193 4.276 4.470 -0.002 0.000 0.377 1140 S C 1.038 175.578 174.600 -0.100 0.000 0.989 1140 S CA 1.191 59.324 58.200 -0.113 0.000 1.183 1140 S CB -0.625 62.522 63.200 -0.089 0.000 0.908 1140 S HN 0.878 nan 8.310 nan 0.000 0.472 1141 E N -0.428 119.722 120.200 -0.083 0.000 2.451 1141 E HA 0.160 4.509 4.350 -0.002 0.000 0.194 1141 E C 0.220 176.767 176.600 -0.089 0.000 1.027 1141 E CA 0.088 56.437 56.400 -0.085 0.000 0.914 1141 E CB 0.168 29.831 29.700 -0.061 0.000 1.054 1141 E HN 0.501 nan 8.360 nan 0.000 0.461 1142 L N 0.297 121.461 121.223 -0.098 0.000 3.062 1142 L HA 0.306 4.645 4.340 -0.002 0.000 0.255 1142 L C 0.572 177.402 176.870 -0.067 0.000 1.274 1142 L CA -0.264 54.527 54.840 -0.081 0.000 1.047 1142 L CB 0.563 42.576 42.059 -0.075 0.000 1.402 1142 L HN -0.116 nan 8.230 nan 0.000 0.550 1143 A N 0.255 123.027 122.820 -0.081 0.000 2.366 1143 A HA 0.614 4.933 4.320 -0.002 0.000 0.249 1143 A C 0.035 177.614 177.584 -0.007 0.000 1.084 1143 A CA 0.186 52.214 52.037 -0.016 0.000 0.794 1143 A CB 0.654 19.498 19.000 -0.260 0.000 1.034 1143 A HN 0.327 nan 8.150 nan 0.000 0.491 1144 E N -0.276 119.974 120.200 0.084 0.000 2.422 1144 E HA 0.317 4.666 4.350 -0.002 0.000 0.289 1144 E C -1.519 175.148 176.600 0.112 0.000 0.985 1144 E CA -0.439 55.987 56.400 0.043 0.000 0.812 1144 E CB 1.138 30.881 29.700 0.071 0.000 1.226 1144 E HN 0.698 nan 8.360 nan 0.000 0.419 1145 D N 4.757 125.198 120.400 0.068 0.000 2.571 1145 D HA 0.004 4.643 4.640 -0.002 0.000 0.231 1145 D C -1.385 175.006 176.300 0.151 0.000 1.133 1145 D CA -0.874 53.192 54.000 0.111 0.000 0.862 1145 D CB 1.079 41.935 40.800 0.094 0.000 1.179 1145 D HN 0.178 nan 8.370 nan 0.000 0.474 1146 P HA -0.219 nan 4.420 nan 0.000 0.214 1146 P C 1.023 178.387 177.300 0.107 0.000 1.163 1146 P CA 1.856 65.017 63.100 0.101 0.000 0.883 1146 P CB -0.160 31.582 31.700 0.070 0.000 0.788 1147 A N -0.877 122.007 122.820 0.106 0.000 1.948 1147 A HA -0.251 4.068 4.320 -0.002 0.000 0.220 1147 A C 2.407 180.069 177.584 0.130 0.000 1.177 1147 A CA 1.851 53.943 52.037 0.093 0.000 0.636 1147 A CB -2.003 17.049 19.000 0.087 0.000 0.815 1147 A HN 0.191 nan 8.150 nan 0.000 0.449 1148 Y N 0.430 120.775 120.300 0.075 0.000 2.145 1148 Y HA -0.075 4.474 4.550 -0.002 0.000 0.286 1148 Y C 2.660 178.653 175.900 0.154 0.000 1.145 1148 Y CA 1.313 59.494 58.100 0.134 0.000 1.148 1148 Y CB -0.516 37.981 38.460 0.063 0.000 0.981 1148 Y HN 0.337 nan 8.280 nan 0.000 0.507 1149 A N 0.657 123.596 122.820 0.198 0.000 1.859 1149 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 1149 A C 2.218 179.799 177.584 -0.006 0.000 1.198 1149 A CA 2.366 54.452 52.037 0.081 0.000 0.629 1149 A CB -1.313 17.732 19.000 0.076 0.000 0.830 1149 A HN 0.555 nan 8.150 nan 0.000 0.446 1150 I N -0.094 120.474 120.570 -0.004 0.000 2.052 1150 I HA -0.354 3.815 4.170 -0.002 0.000 0.235 1150 I C 2.977 179.045 176.117 -0.082 0.000 1.046 1150 I CA 1.581 62.858 61.300 -0.038 0.000 1.308 1150 I CB -0.630 37.357 38.000 -0.022 0.000 1.031 1150 I HN 0.356 nan 8.210 nan 0.000 0.395 1151 A N -0.228 122.534 122.820 -0.096 0.000 2.009 1151 A HA -0.289 4.030 4.320 -0.002 0.000 0.222 1151 A C 1.827 179.170 177.584 -0.402 0.000 1.175 1151 A CA 2.298 54.207 52.037 -0.213 0.000 0.651 1151 A CB -1.154 17.729 19.000 -0.194 0.000 0.815 1151 A HN 0.640 nan 8.150 nan 0.000 0.459 1152 H N -1.707 117.180 119.070 -0.304 0.000 2.542 1152 H HA 0.406 4.960 4.556 -0.002 0.000 0.283 1152 H C 1.295 176.516 175.328 -0.180 0.000 1.059 1152 H CA 0.197 56.067 56.048 -0.296 0.000 1.162 1152 H CB 0.003 29.463 29.762 -0.504 0.000 1.539 1152 H HN 0.568 nan 8.280 nan 0.000 0.543 1153 G N 1.359 110.116 108.800 -0.072 0.000 2.393 1153 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.299 1153 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.299 1153 G C -0.120 174.755 174.900 -0.041 0.000 0.990 1153 G CA 0.463 45.528 45.100 -0.059 0.000 1.118 1153 G HN 0.259 nan 8.290 nan 0.000 0.513 1154 V N 0.388 120.283 119.914 -0.032 0.000 2.546 1154 V HA 0.700 4.819 4.120 -0.002 0.000 0.284 1154 V C 1.072 177.132 176.094 -0.057 0.000 1.050 1154 V CA -0.468 61.819 62.300 -0.022 0.000 0.981 1154 V CB 1.328 33.163 31.823 0.020 0.000 0.990 1154 V HN 1.108 nan 8.190 nan 0.000 0.474 1155 A N 5.239 128.019 122.820 -0.065 0.000 2.445 1155 A HA 0.570 4.889 4.320 -0.002 0.000 0.242 1155 A C -0.058 177.459 177.584 -0.113 0.000 1.075 1155 A CA -0.274 51.699 52.037 -0.108 0.000 0.777 1155 A CB 0.027 18.968 19.000 -0.097 0.000 1.013 1155 A HN 0.799 nan 8.150 nan 0.000 0.493 1156 L N 1.189 122.295 121.223 -0.195 0.000 2.475 1156 L HA 0.177 4.516 4.340 -0.002 0.000 0.253 1156 L C 1.177 178.008 176.870 -0.064 0.000 1.198 1156 L CA -0.535 54.206 54.840 -0.166 0.000 0.814 1156 L CB 0.289 42.071 42.059 -0.461 0.000 1.134 1156 L HN 0.767 nan 8.230 nan 0.000 0.478 1157 N N 0.338 119.096 118.700 0.098 0.000 2.807 1157 N HA 0.021 4.760 4.740 -0.002 0.000 0.259 1157 N C 0.694 176.309 175.510 0.175 0.000 1.149 1157 N CA 0.014 53.129 53.050 0.109 0.000 1.042 1157 N CB 0.629 39.164 38.487 0.080 0.000 1.367 1157 N HN 0.604 nan 8.380 nan 0.000 0.516 1158 T N 1.121 115.687 114.554 0.020 0.000 2.564 1158 T HA -0.248 4.101 4.350 -0.002 0.000 0.264 1158 T C 1.305 176.106 174.700 0.168 0.000 1.100 1158 T CA 1.435 63.512 62.100 -0.038 0.000 1.171 1158 T CB -0.265 68.462 68.868 -0.234 0.000 0.863 1158 T HN 0.530 nan 8.240 nan 0.000 0.430 1159 D N -0.567 119.940 120.400 0.179 0.000 2.133 1159 D HA -0.143 4.496 4.640 -0.002 0.000 0.195 1159 D C 1.908 178.382 176.300 0.289 0.000 0.997 1159 D CA 1.339 55.485 54.000 0.244 0.000 0.840 1159 D CB -0.117 40.797 40.800 0.189 0.000 0.947 1159 D HN 0.531 nan 8.370 nan 0.000 0.452 1160 Y N 0.020 120.403 120.300 0.139 0.000 2.153 1160 Y HA -0.240 4.309 4.550 -0.002 0.000 0.289 1160 Y C 2.134 178.141 175.900 0.179 0.000 1.127 1160 Y CA 1.627 59.790 58.100 0.104 0.000 1.131 1160 Y CB -0.678 37.734 38.460 -0.080 0.000 0.995 1160 Y HN -0.020 nan 8.280 nan 0.000 0.505 1161 Y N -1.612 118.865 120.300 0.295 0.000 2.200 1161 Y HA -0.229 4.320 4.550 -0.002 0.000 0.290 1161 Y C 2.335 178.429 175.900 0.323 0.000 1.137 1161 Y CA 1.682 59.928 58.100 0.242 0.000 1.163 1161 Y CB -0.688 37.935 38.460 0.271 0.000 0.988 1161 Y HN 0.221 nan 8.280 nan 0.000 0.518 1162 F N 0.824 120.962 119.950 0.314 0.000 2.102 1162 F HA -0.253 4.273 4.527 -0.002 0.000 0.298 1162 F C 2.738 178.661 175.800 0.204 0.000 1.105 1162 F CA 1.519 59.686 58.000 0.278 0.000 1.239 1162 F CB -0.914 38.240 39.000 0.257 0.000 0.991 1162 F HN 0.053 nan 8.300 nan 0.000 0.474 1163 S N -1.161 114.638 115.700 0.166 0.000 2.419 1163 S HA -0.250 4.219 4.470 -0.002 0.000 0.235 1163 S C 2.077 176.603 174.600 -0.123 0.000 1.019 1163 S CA 1.464 59.650 58.200 -0.025 0.000 0.982 1163 S CB -1.124 62.080 63.200 0.007 0.000 0.789 1163 S HN 0.558 nan 8.310 nan 0.000 0.490 1164 H N 0.507 119.496 119.070 -0.135 0.000 2.357 1164 H HA 0.061 4.616 4.556 -0.002 0.000 0.301 1164 H C 2.201 177.485 175.328 -0.072 0.000 1.082 1164 H CA 1.579 57.545 56.048 -0.136 0.000 1.342 1164 H CB -0.246 29.392 29.762 -0.207 0.000 1.389 1164 H HN 0.398 nan 8.280 nan 0.000 0.511 1165 L N 0.681 121.947 121.223 0.072 0.000 2.017 1165 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 1165 L C 2.291 179.084 176.870 -0.130 0.000 1.073 1165 L CA 1.099 55.925 54.840 -0.025 0.000 0.745 1165 L CB -0.660 41.401 42.059 0.002 0.000 0.894 1165 L HN 0.062 nan 8.230 nan 0.000 0.432 1166 L N 0.083 121.148 121.223 -0.264 0.000 2.042 1166 L HA -0.094 4.245 4.340 -0.002 0.000 0.210 1166 L C 2.405 179.215 176.870 -0.100 0.000 1.076 1166 L CA 2.077 56.779 54.840 -0.229 0.000 0.749 1166 L CB -1.598 40.274 42.059 -0.311 0.000 0.893 1166 L HN 0.400 nan 8.230 nan 0.000 0.432 1167 G N -1.538 107.198 108.800 -0.108 0.000 2.433 1167 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.216 1167 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.216 1167 G C 1.642 176.521 174.900 -0.035 0.000 1.186 1167 G CA 0.917 45.967 45.100 -0.083 0.000 0.779 1167 G HN 0.578 nan 8.290 nan 0.000 0.543 1168 A N 1.276 124.082 122.820 -0.024 0.000 1.883 1168 A HA 0.205 4.524 4.320 -0.002 0.000 0.217 1168 A C 2.854 180.465 177.584 0.045 0.000 1.186 1168 A CA 2.512 54.550 52.037 0.002 0.000 0.624 1168 A CB -0.966 18.036 19.000 0.004 0.000 0.822 1168 A HN 0.896 nan 8.150 nan 0.000 0.444 1169 A N -0.981 121.893 122.820 0.090 0.000 1.908 1169 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 1169 A C 2.438 180.214 177.584 0.320 0.000 1.181 1169 A CA 1.897 54.100 52.037 0.277 0.000 0.627 1169 A CB -1.504 17.618 19.000 0.203 0.000 0.818 1169 A HN 0.999 nan 8.150 nan 0.000 0.445 1170 C N -0.094 119.305 119.300 0.164 0.000 2.425 1170 C HA -0.039 4.420 4.460 -0.002 0.000 0.277 1170 C C 2.728 177.786 174.990 0.113 0.000 1.280 1170 C CA 1.549 60.656 59.018 0.148 0.000 1.744 1170 C CB -1.498 26.280 27.740 0.064 0.000 1.989 1170 C HN 0.756 nan 8.230 nan 0.000 0.491 1171 V N -1.273 118.672 119.914 0.051 0.000 2.951 1171 V HA 0.045 4.164 4.120 -0.002 0.000 0.255 1171 V C 2.108 178.176 176.094 -0.045 0.000 1.088 1171 V CA 2.428 64.733 62.300 0.008 0.000 1.109 1171 V CB -1.327 30.488 31.823 -0.014 0.000 0.724 1171 V HN 0.536 nan 8.190 nan 0.000 0.471 1172 T N 0.466 114.955 114.554 -0.110 0.000 2.976 1172 T HA 0.233 4.582 4.350 -0.002 0.000 0.257 1172 T C 1.046 175.445 174.700 -0.503 0.000 1.051 1172 T CA 1.470 63.344 62.100 -0.376 0.000 1.141 1172 T CB -0.297 68.189 68.868 -0.635 0.000 0.881 1172 T HN 0.588 nan 8.240 nan 0.000 0.461 1173 F N 1.156 121.148 119.950 0.068 0.000 2.647 1173 F HA 0.382 4.908 4.527 -0.002 0.000 0.300 1173 F C 1.606 177.449 175.800 0.071 0.000 1.106 1173 F CA -0.600 57.420 58.000 0.034 0.000 1.313 1173 F CB 0.014 39.048 39.000 0.058 0.000 1.007 1173 F HN -0.021 nan 8.300 nan 0.000 0.536 1174 K N 0.871 121.385 120.400 0.190 0.000 2.113 1174 K HA -0.188 4.131 4.320 -0.002 0.000 0.208 1174 K C 2.333 179.015 176.600 0.136 0.000 1.047 1174 K CA 1.338 57.749 56.287 0.207 0.000 0.928 1174 K CB -0.475 32.102 32.500 0.128 0.000 0.716 1174 K HN 0.281 nan 8.250 nan 0.000 0.446 1175 A N 1.895 124.743 122.820 0.047 0.000 1.997 1175 A HA -0.180 4.139 4.320 -0.002 0.000 0.221 1175 A C 2.091 179.628 177.584 -0.078 0.000 1.172 1175 A CA 1.489 53.528 52.037 0.003 0.000 0.645 1175 A CB -0.837 18.160 19.000 -0.005 0.000 0.813 1175 A HN 0.249 nan 8.150 nan 0.000 0.454 1176 L N -2.446 118.638 121.223 -0.231 0.000 2.456 1176 L HA -0.009 4.330 4.340 -0.002 0.000 0.224 1176 L C 0.339 176.752 176.870 -0.763 0.000 1.148 1176 L CA 0.534 55.016 54.840 -0.597 0.000 0.825 1176 L CB -0.231 41.248 42.059 -0.966 0.000 0.937 1176 L HN 0.444 nan 8.230 nan 0.000 0.450 1177 F N -0.871 119.111 119.950 0.053 0.000 2.688 1177 F HA 0.377 4.903 4.527 -0.002 0.000 0.376 1177 F C 1.317 177.162 175.800 0.075 0.000 1.428 1177 F CA -0.543 57.506 58.000 0.082 0.000 1.156 1177 F CB 0.495 39.539 39.000 0.073 0.000 1.141 1177 F HN -0.036 nan 8.300 nan 0.000 0.521 1178 G N 1.303 110.198 108.800 0.159 0.000 2.321 1178 G HA2 -0.395 3.564 3.960 -0.002 0.000 0.287 1178 G HA3 -0.395 3.564 3.960 -0.002 0.000 0.287 1178 G C 0.637 175.606 174.900 0.114 0.000 1.018 1178 G CA 0.702 45.875 45.100 0.121 0.000 0.855 1178 G HN 0.640 nan 8.290 nan 0.000 0.507 1179 N N -1.685 117.086 118.700 0.119 0.000 2.800 1179 N HA -0.189 4.550 4.740 -0.002 0.000 0.250 1179 N C 0.138 175.707 175.510 0.098 0.000 1.078 1179 N CA 1.422 54.531 53.050 0.098 0.000 0.804 1179 N CB -1.131 37.397 38.487 0.069 0.000 1.135 1179 N HN 0.766 nan 8.380 nan 0.000 0.565 1180 N N 1.114 119.888 118.700 0.123 0.000 2.415 1180 N HA 0.383 5.122 4.740 -0.002 0.000 0.250 1180 N C 1.074 176.636 175.510 0.087 0.000 1.127 1180 N CA 0.682 53.787 53.050 0.091 0.000 0.945 1180 N CB 0.951 39.490 38.487 0.087 0.000 1.196 1180 N HN 0.263 nan 8.380 nan 0.000 0.499 1181 A N 4.634 127.491 122.820 0.062 0.000 1.908 1181 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 1181 A C 2.059 179.656 177.584 0.023 0.000 1.181 1181 A CA 1.374 53.442 52.037 0.051 0.000 0.627 1181 A CB -0.233 18.787 19.000 0.032 0.000 0.818 1181 A HN 0.619 nan 8.150 nan 0.000 0.445 1182 K N 0.042 120.447 120.400 0.009 0.000 2.001 1182 K HA -0.108 4.211 4.320 -0.002 0.000 0.214 1182 K C 1.655 178.228 176.600 -0.045 0.000 1.050 1182 K CA 1.896 58.174 56.287 -0.015 0.000 0.934 1182 K CB -0.618 31.876 32.500 -0.009 0.000 0.718 1182 K HN 0.579 nan 8.250 nan 0.000 0.443 1183 I N 0.305 120.845 120.570 -0.051 0.000 2.208 1183 I HA -0.323 3.846 4.170 -0.002 0.000 0.245 1183 I C 1.968 177.934 176.117 -0.251 0.000 1.097 1183 I CA 1.487 62.708 61.300 -0.133 0.000 1.363 1183 I CB -0.561 37.375 38.000 -0.108 0.000 1.051 1183 I HN 0.208 nan 8.210 nan 0.000 0.413 1184 T N -0.085 114.375 114.554 -0.157 0.000 2.622 1184 T HA -0.271 4.078 4.350 -0.002 0.000 0.266 1184 T C 1.773 176.426 174.700 -0.079 0.000 1.047 1184 T CA 1.814 63.846 62.100 -0.113 0.000 1.159 1184 T CB -0.362 68.611 68.868 0.176 0.000 0.863 1184 T HN 0.419 nan 8.240 nan 0.000 0.422 1185 E N 0.702 120.880 120.200 -0.038 0.000 2.068 1185 E HA -0.256 4.092 4.350 -0.002 0.000 0.207 1185 E C 2.363 178.903 176.600 -0.100 0.000 1.032 1185 E CA 1.817 58.186 56.400 -0.052 0.000 0.839 1185 E CB -0.340 29.329 29.700 -0.052 0.000 0.758 1185 E HN 0.412 nan 8.360 nan 0.000 0.457 1186 S N -0.573 115.053 115.700 -0.124 0.000 2.383 1186 S HA -0.137 4.332 4.470 -0.002 0.000 0.229 1186 S C 1.996 176.495 174.600 -0.168 0.000 1.030 1186 S CA 1.272 59.389 58.200 -0.139 0.000 1.002 1186 S CB -0.251 62.876 63.200 -0.121 0.000 0.829 1186 S HN 0.358 nan 8.310 nan 0.000 0.467 1187 L N 0.500 121.585 121.223 -0.230 0.000 2.131 1187 L HA 0.083 4.422 4.340 -0.002 0.000 0.206 1187 L C 2.295 179.060 176.870 -0.175 0.000 1.087 1187 L CA 0.771 55.446 54.840 -0.274 0.000 0.767 1187 L CB -0.400 41.365 42.059 -0.489 0.000 0.917 1187 L HN 0.327 nan 8.230 nan 0.000 0.441 1188 L N -0.519 120.710 121.223 0.010 0.000 2.275 1188 L HA -0.165 4.174 4.340 -0.002 0.000 0.215 1188 L C 2.409 179.376 176.870 0.161 0.000 1.119 1188 L CA 0.949 55.947 54.840 0.263 0.000 0.790 1188 L CB -0.515 41.698 42.059 0.257 0.000 0.919 1188 L HN 0.167 nan 8.230 nan 0.000 0.443 1189 K N 0.325 120.714 120.400 -0.019 0.000 2.147 1189 K HA -0.122 4.197 4.320 -0.002 0.000 0.205 1189 K C 2.141 178.774 176.600 0.055 0.000 1.049 1189 K CA 1.036 57.293 56.287 -0.049 0.000 0.936 1189 K CB -0.084 32.245 32.500 -0.285 0.000 0.722 1189 K HN 0.335 nan 8.250 nan 0.000 0.446 1190 R N -0.293 120.125 120.500 -0.137 0.000 2.241 1190 R HA -0.082 4.257 4.340 -0.002 0.000 0.224 1190 R C 1.545 177.705 176.300 -0.233 0.000 1.101 1190 R CA 1.001 56.956 56.100 -0.242 0.000 0.995 1190 R CB -0.141 29.889 30.300 -0.450 0.000 0.870 1190 R HN 0.203 nan 8.270 nan 0.000 0.463 1191 F N 0.483 120.477 119.950 0.073 0.000 2.797 1191 F HA 0.153 4.679 4.527 -0.002 0.000 0.302 1191 F C 0.751 176.604 175.800 0.089 0.000 1.130 1191 F CA -0.507 57.537 58.000 0.073 0.000 1.387 1191 F CB 0.352 39.411 39.000 0.098 0.000 1.107 1191 F HN -0.024 nan 8.300 nan 0.000 0.577 1192 I N -2.274 118.455 120.570 0.266 0.000 2.647 1192 I HA 0.542 4.711 4.170 -0.002 0.000 0.295 1192 I C -2.926 173.180 176.117 -0.020 0.000 1.078 1192 I CA -3.226 58.190 61.300 0.192 0.000 1.048 1192 I CB 1.442 39.727 38.000 0.475 0.000 1.239 1192 I HN -0.319 nan 8.210 nan 0.000 0.421 1193 P HA 0.013 nan 4.420 nan 0.000 0.265 1193 P C 0.341 177.282 177.300 -0.598 0.000 1.193 1193 P CA 0.212 62.993 63.100 -0.531 0.000 0.765 1193 P CB 0.845 32.013 31.700 -0.887 0.000 0.823 1194 E N 2.654 122.476 120.200 -0.630 0.000 2.187 1194 E HA -0.188 4.161 4.350 -0.002 0.000 0.199 1194 E C 1.403 177.639 176.600 -0.608 0.000 1.004 1194 E CA 0.961 56.760 56.400 -1.000 0.000 0.813 1194 E CB -0.102 29.372 29.700 -0.377 0.000 0.736 1194 E HN 0.188 nan 8.360 nan 0.000 0.468 1195 V N -0.013 119.698 119.914 -0.338 0.000 3.241 1195 V HA -0.122 3.997 4.120 -0.002 0.000 0.269 1195 V C 0.451 176.656 176.094 0.186 0.000 1.151 1195 V CA 0.947 63.200 62.300 -0.079 0.000 1.158 1195 V CB -0.454 31.339 31.823 -0.050 0.000 0.764 1195 V HN 0.474 nan 8.190 nan 0.000 0.508 1196 W N -1.039 120.155 121.300 -0.176 0.000 3.127 1196 W HA 0.363 5.022 4.660 -0.002 0.000 0.344 1196 W C 1.207 177.865 176.519 0.231 0.000 1.151 1196 W CA -1.196 56.105 57.345 -0.075 0.000 1.765 1196 W CB -0.679 28.518 29.460 -0.439 0.000 1.085 1196 W HN 0.325 nan 8.180 nan 0.000 0.596 1197 H N 0.000 119.274 119.070 0.340 0.000 2.539 1197 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 1197 H CA 0.000 56.219 56.048 0.285 0.000 1.023 1197 H CB 0.000 29.863 29.762 0.169 0.000 1.292 1197 H HN 0.000 nan 8.280 nan 0.000 0.496