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_B DATA FIRST_RESID 59 DATA SEQUENCE TGPTQRHTYY SECDEFRFIA PRVLDEDAPP EKRAGVHDGH LKRAPKVYCG DATA SEQUENCE GDERDVLRVG SGGFWPRRSR LWGGVDHAPA GFNPTVTVFH VYDILENVEH DATA SEQUENCE AYGMRAAQFH ARFMDAITPT GTVITLLGLT PEGHRVAVHV YGTRQYFYMN DATA SEQUENCE KEEVDRHLQC RAPRDLCERM AAALRESXXX XXRGISADHF EAEVVERTDV DATA SEQUENCE YYYETRPALF YRVYVRSGRV LSYLCDNFCP AIKKYEGGVD ATTRFILDNP DATA SEQUENCE GFVTFGWYRL KPGRNNTLAQ PRAPMAFGTS SDVEFNCTAD NLAIEGGMSD DATA SEQUENCE LPAYKLMCFD IECKAGGEDE LAFPVAGHPE DLVIQISCLL YDLSTTALEH DATA SEQUENCE VLLFSLGSCD LPESHLNELA ARGLPTPVVL EFDSEFEMLL AFMTLVKQYG DATA SEQUENCE PEFVTGYNII NFDWPFLLAK LTDIYKVPLD GYGRMNGRGV FRVWDIGQSH DATA SEQUENCE FQKRSKIKVN GMVNIDMYGI ITDKIKLSSY KLNAVAEAVL KDKKKDLSYR DATA SEQUENCE DIPAYYATGP AQRGVIGEYC IQDSLLVGQL FFKFLPHLEL SAVARLAGIN DATA SEQUENCE ITRTIYDGQQ IRVFTCLLRL ADQKGFILPD TXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXVLDPTSGF DATA SEQUENCE HVNPVVVFDF ASLYPSIIQA HNLCFSTLSL RADAVAHLEA GKDYLEIEVG DATA SEQUENCE GRRLFFVKAH VRESLLSILL RDWLAMRKQI RSRIPQSSPE EAVLLDKQQA DATA SEQUENCE AIKVVCNSVY GFTGVQHGLL PCLHVAATVT TIGREMLLAT REYVHARWAA DATA SEQUENCE FEQLLADFPE AADMRAPGPY SMRIIYGDTD SIFVLCRGLT AAGLTAMGDK DATA SEQUENCE MASHISRALF LPPIKLECEK TFTKLLLIAK KKYIGVIYGG KMLIKGVDLV DATA SEQUENCE RKNNCAFINR TSRALVDLLF YDDTVSGAAA ALAERPAEEW LARPLPEGLQ DATA SEQUENCE AFGAVLVDAH RRITDPERDI QDFVLTAELS RHPRAYTNKR LAHLTVYYKL DATA SEQUENCE MARRAQVPSI KDRIPYVIVA QTREVEETVA RLAALRELDX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXKLL VSELAEDPAY AIAHGVALNT DATA SEQUENCE DYYFSHLLGA ACVTFKALFG NNAKITESLL KRFIPEVWH 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 59 T HA 0.000 nan 4.350 nan 0.000 0.228 59 T C 0.000 174.661 174.700 -0.065 0.000 1.109 59 T CA 0.000 62.066 62.100 -0.057 0.000 1.349 59 T CB 0.000 68.836 68.868 -0.054 0.000 0.612 60 G N 2.571 111.323 108.800 -0.079 0.000 2.699 60 G HA2 0.180 4.137 3.960 -0.005 0.000 0.686 60 G HA3 0.180 4.137 3.960 -0.005 0.000 0.686 60 G C -3.244 171.608 174.900 -0.081 0.000 1.301 60 G CA -0.789 44.255 45.100 -0.093 0.000 0.816 60 G HN 0.437 nan 8.290 nan 0.000 0.595 61 P HA 0.323 nan 4.420 nan 0.000 0.271 61 P C 1.391 178.688 177.300 -0.005 0.000 1.216 61 P CA 0.233 63.321 63.100 -0.020 0.000 0.776 61 P CB 0.691 32.413 31.700 0.037 0.000 0.881 62 T N 0.793 115.345 114.554 -0.004 0.000 2.624 62 T HA -0.228 4.119 4.350 -0.005 0.000 0.266 62 T C 0.559 175.259 174.700 -0.001 0.000 1.050 62 T CA 1.638 63.723 62.100 -0.025 0.000 1.163 62 T CB -0.399 68.441 68.868 -0.048 0.000 0.861 62 T HN 0.555 nan 8.240 nan 0.000 0.443 63 Q N 0.436 120.261 119.800 0.041 0.000 2.333 63 Q HA 0.440 4.777 4.340 -0.005 0.000 0.267 63 Q C -0.479 175.571 176.000 0.083 0.000 1.012 63 Q CA -0.626 55.203 55.803 0.042 0.000 0.824 63 Q CB 1.991 30.750 28.738 0.035 0.000 1.290 63 Q HN 0.213 nan 8.270 nan 0.000 0.449 64 R N 1.656 122.181 120.500 0.042 0.000 2.585 64 R HA 0.007 4.345 4.340 -0.005 0.000 0.275 64 R C -0.407 175.928 176.300 0.058 0.000 1.018 64 R CA 0.236 56.360 56.100 0.039 0.000 1.072 64 R CB 0.422 30.714 30.300 -0.013 0.000 0.953 64 R HN 0.605 nan 8.270 nan 0.000 0.419 65 H N 1.740 120.687 119.070 -0.204 0.000 2.690 65 H HA 0.017 4.571 4.556 -0.005 0.000 0.314 65 H C 0.958 176.024 175.328 -0.436 0.000 1.069 65 H CA 0.192 56.020 56.048 -0.367 0.000 1.436 65 H CB 1.281 30.665 29.762 -0.630 0.000 1.462 65 H HN 0.680 nan 8.280 nan 0.000 0.511 66 T N 0.039 114.434 114.554 -0.265 0.000 3.054 66 T HA -0.008 4.339 4.350 -0.005 0.000 0.255 66 T C 0.570 175.158 174.700 -0.186 0.000 1.035 66 T CA -0.503 61.496 62.100 -0.169 0.000 0.941 66 T CB -0.246 68.582 68.868 -0.066 0.000 1.026 66 T HN 0.468 nan 8.240 nan 0.000 0.533 67 Y N 0.575 120.698 120.300 -0.295 0.000 2.330 67 Y HA 0.506 5.054 4.550 -0.004 0.000 0.341 67 Y C -0.053 175.773 175.900 -0.124 0.000 1.278 67 Y CA -2.198 55.552 58.100 -0.583 0.000 1.453 67 Y CB 0.118 37.939 38.460 -1.065 0.000 1.342 67 Y HN 0.101 nan 8.280 nan 0.000 0.590 68 Y N 1.116 121.468 120.300 0.086 0.000 2.359 68 Y HA 0.204 4.751 4.550 -0.005 0.000 0.334 68 Y C 0.772 176.718 175.900 0.076 0.000 1.058 68 Y CA -0.158 58.002 58.100 0.100 0.000 1.244 68 Y CB 1.086 39.708 38.460 0.270 0.000 1.187 68 Y HN 0.848 nan 8.280 nan 0.000 0.510 69 S N 0.425 116.139 115.700 0.022 0.000 2.701 69 S HA 0.251 4.718 4.470 -0.005 0.000 0.242 69 S C -0.346 174.319 174.600 0.108 0.000 1.025 69 S CA -0.448 57.755 58.200 0.006 0.000 1.016 69 S CB 0.454 63.348 63.200 -0.509 0.000 0.977 69 S HN 0.600 nan 8.310 nan 0.000 0.546 70 E N 0.473 120.705 120.200 0.054 0.000 2.356 70 E HA 0.689 5.036 4.350 -0.005 0.000 0.275 70 E C -1.761 174.830 176.600 -0.015 0.000 0.904 70 E CA -0.502 55.915 56.400 0.028 0.000 0.757 70 E CB 2.333 32.013 29.700 -0.034 0.000 1.232 70 E HN 0.312 nan 8.360 nan 0.000 0.442 71 C N 3.589 122.913 119.300 0.039 0.000 3.097 71 C HA 0.412 4.869 4.460 -0.005 0.000 0.422 71 C C -1.125 173.934 174.990 0.115 0.000 0.999 71 C CA -0.490 58.556 59.018 0.046 0.000 1.235 71 C CB 0.232 28.048 27.740 0.128 0.000 1.615 71 C HN 0.796 nan 8.230 nan 0.000 0.553 72 D N 3.165 123.620 120.400 0.092 0.000 2.469 72 D HA 0.180 4.818 4.640 -0.005 0.000 0.213 72 D C 0.161 176.519 176.300 0.096 0.000 1.135 72 D CA 0.572 54.632 54.000 0.100 0.000 0.834 72 D CB 0.755 41.587 40.800 0.053 0.000 1.009 72 D HN 0.911 nan 8.370 nan 0.000 0.507 73 E N 0.423 120.692 120.200 0.116 0.000 2.381 73 E HA 0.428 4.775 4.350 -0.005 0.000 0.286 73 E C -1.185 175.429 176.600 0.024 0.000 0.960 73 E CA -0.987 55.388 56.400 -0.042 0.000 0.793 73 E CB 1.402 31.016 29.700 -0.143 0.000 1.225 73 E HN -0.078 nan 8.360 nan 0.000 0.420 74 F N -0.764 119.025 119.950 -0.269 0.000 2.685 74 F HA 0.623 5.147 4.527 -0.004 0.000 0.315 74 F C -1.018 174.703 175.800 -0.131 0.000 1.126 74 F CA -1.507 56.347 58.000 -0.243 0.000 0.950 74 F CB 1.436 40.277 39.000 -0.264 0.000 1.360 74 F HN 0.481 nan 8.300 nan 0.000 0.469 75 R N 1.873 122.424 120.500 0.085 0.000 2.267 75 R HA 0.407 4.744 4.340 -0.005 0.000 0.319 75 R C -1.870 174.684 176.300 0.423 0.000 1.067 75 R CA -0.363 55.871 56.100 0.223 0.000 0.936 75 R CB 0.325 30.789 30.300 0.273 0.000 1.006 75 R HN 0.738 nan 8.270 nan 0.000 0.452 76 F N 7.216 127.250 119.950 0.140 0.000 2.361 76 F HA 0.455 4.979 4.527 -0.005 0.000 0.364 76 F C -0.982 174.986 175.800 0.280 0.000 1.117 76 F CA -0.747 57.411 58.000 0.263 0.000 1.071 76 F CB 0.671 39.683 39.000 0.019 0.000 1.188 76 F HN 0.365 nan 8.300 nan 0.000 0.464 77 I N 6.228 126.888 120.570 0.150 0.000 2.447 77 I HA 0.735 4.902 4.170 -0.005 0.000 0.287 77 I C -0.733 175.388 176.117 0.006 0.000 1.023 77 I CA -0.770 60.625 61.300 0.160 0.000 1.083 77 I CB 1.591 39.721 38.000 0.216 0.000 1.245 77 I HN 0.713 nan 8.210 nan 0.000 0.434 78 A N 6.967 129.851 122.820 0.106 0.000 2.574 78 A HA 0.815 5.132 4.320 -0.005 0.000 0.297 78 A C -2.997 174.677 177.584 0.149 0.000 1.062 78 A CA -1.557 50.545 52.037 0.109 0.000 0.686 78 A CB 1.758 20.812 19.000 0.090 0.000 1.285 78 A HN 0.366 nan 8.150 nan 0.000 0.403 79 P HA 0.164 nan 4.420 nan 0.000 0.268 79 P C 0.566 177.899 177.300 0.056 0.000 1.204 79 P CA -0.071 63.077 63.100 0.080 0.000 0.768 79 P CB 0.519 32.313 31.700 0.156 0.000 0.842 80 R N 2.358 122.804 120.500 -0.090 0.000 2.152 80 R HA -0.079 4.258 4.340 -0.005 0.000 0.232 80 R C 1.584 177.916 176.300 0.053 0.000 1.117 80 R CA 1.333 57.362 56.100 -0.118 0.000 0.981 80 R CB -0.852 29.340 30.300 -0.180 0.000 0.870 80 R HN 0.419 nan 8.270 nan 0.000 0.451 81 V N -0.958 119.012 119.914 0.094 0.000 2.982 81 V HA -0.148 3.969 4.120 -0.005 0.000 0.265 81 V C 1.867 178.028 176.094 0.112 0.000 1.122 81 V CA 1.418 63.786 62.300 0.115 0.000 1.143 81 V CB -0.770 31.149 31.823 0.159 0.000 0.726 81 V HN 0.236 nan 8.190 nan 0.000 0.507 82 L N -0.073 121.236 121.223 0.143 0.000 2.492 82 L HA 0.151 4.488 4.340 -0.005 0.000 0.223 82 L C 0.317 177.256 176.870 0.115 0.000 1.132 82 L CA 0.322 55.233 54.840 0.117 0.000 0.850 82 L CB -0.252 41.906 42.059 0.165 0.000 0.966 82 L HN 0.365 nan 8.230 nan 0.000 0.454 83 D N 0.860 121.343 120.400 0.139 0.000 2.422 83 D HA 0.037 4.674 4.640 -0.005 0.000 0.227 83 D C 0.809 177.158 176.300 0.080 0.000 1.190 83 D CA 0.064 54.141 54.000 0.128 0.000 0.905 83 D CB 1.142 42.044 40.800 0.170 0.000 1.034 83 D HN 0.218 nan 8.370 nan 0.000 0.507 84 E N 0.897 121.130 120.200 0.055 0.000 2.274 84 E HA -0.137 4.210 4.350 -0.005 0.000 0.194 84 E C 0.752 177.372 176.600 0.035 0.000 0.996 84 E CA 0.689 57.110 56.400 0.035 0.000 0.840 84 E CB 0.287 29.996 29.700 0.016 0.000 0.772 84 E HN 0.447 nan 8.360 nan 0.000 0.491 85 D N 0.398 120.823 120.400 0.041 0.000 2.340 85 D HA 0.030 4.667 4.640 -0.005 0.000 0.220 85 D C 0.299 176.626 176.300 0.046 0.000 1.039 85 D CA -0.052 53.971 54.000 0.037 0.000 0.866 85 D CB -0.158 40.662 40.800 0.033 0.000 0.913 85 D HN -0.043 nan 8.370 nan 0.000 0.523 86 A N 1.969 124.825 122.820 0.059 0.000 2.492 86 A HA 0.379 4.696 4.320 -0.005 0.000 0.254 86 A C -2.012 175.601 177.584 0.048 0.000 1.091 86 A CA -1.060 51.016 52.037 0.064 0.000 0.768 86 A CB -0.131 18.917 19.000 0.080 0.000 1.028 86 A HN 0.074 nan 8.150 nan 0.000 0.498 87 P HA 0.045 nan 4.420 nan 0.000 0.265 87 P C -1.951 175.371 177.300 0.037 0.000 1.187 87 P CA -1.039 62.082 63.100 0.036 0.000 0.766 87 P CB -0.032 31.688 31.700 0.033 0.000 0.820 88 P HA -0.219 nan 4.420 nan 0.000 0.217 88 P C 1.140 178.459 177.300 0.032 0.000 1.148 88 P CA 1.616 64.735 63.100 0.031 0.000 0.834 88 P CB 0.008 31.724 31.700 0.027 0.000 0.783 89 E N 0.848 121.067 120.200 0.030 0.000 2.021 89 E HA -0.169 4.178 4.350 -0.005 0.000 0.200 89 E C 1.047 177.667 176.600 0.033 0.000 1.015 89 E CA 1.172 57.590 56.400 0.030 0.000 0.824 89 E CB -0.711 29.006 29.700 0.029 0.000 0.762 89 E HN 0.340 nan 8.360 nan 0.000 0.454 90 K N 1.352 121.775 120.400 0.039 0.000 3.277 90 K HA 0.094 4.411 4.320 -0.005 0.000 0.280 90 K C 0.707 177.333 176.600 0.043 0.000 1.182 90 K CA 0.089 56.403 56.287 0.046 0.000 1.219 90 K CB -0.125 32.412 32.500 0.062 0.000 1.373 90 K HN 0.172 nan 8.250 nan 0.000 0.392 91 R N -1.332 119.187 120.500 0.031 0.000 2.544 91 R HA 0.240 4.577 4.340 -0.005 0.000 0.426 91 R C 0.701 177.014 176.300 0.022 0.000 0.943 91 R CA 0.030 56.147 56.100 0.028 0.000 1.162 91 R CB 0.306 30.633 30.300 0.044 0.000 1.588 91 R HN 0.112 nan 8.270 nan 0.000 0.563 92 A N 0.655 123.483 122.820 0.014 0.000 1.956 92 A HA 0.394 4.712 4.320 -0.005 0.000 0.212 92 A C 1.181 178.770 177.584 0.007 0.000 1.188 92 A CA 0.978 53.026 52.037 0.019 0.000 0.675 92 A CB -0.008 19.005 19.000 0.022 0.000 0.845 92 A HN 0.453 nan 8.150 nan 0.000 0.455 93 G N -1.287 107.503 108.800 -0.015 0.000 3.019 93 G HA2 0.474 4.431 3.960 -0.005 0.000 0.152 93 G HA3 0.474 4.431 3.960 -0.005 0.000 0.152 93 G C -0.758 174.108 174.900 -0.055 0.000 1.320 93 G CA 0.050 45.138 45.100 -0.020 0.000 1.013 93 G HN 0.245 nan 8.290 nan 0.000 0.593 94 V N 0.283 120.169 119.914 -0.047 0.000 2.628 94 V HA 0.402 4.519 4.120 -0.005 0.000 0.306 94 V C -0.826 175.248 176.094 -0.033 0.000 1.045 94 V CA -0.691 61.587 62.300 -0.038 0.000 0.905 94 V CB 1.529 33.370 31.823 0.030 0.000 0.997 94 V HN 0.663 nan 8.190 nan 0.000 0.436 95 H N 2.683 121.849 119.070 0.160 0.000 2.629 95 H HA 0.484 5.037 4.556 -0.005 0.000 0.357 95 H C -0.628 174.820 175.328 0.200 0.000 1.121 95 H CA -0.144 56.017 56.048 0.188 0.000 1.406 95 H CB 0.786 30.717 29.762 0.282 0.000 1.456 95 H HN 0.547 nan 8.280 nan 0.000 0.579 96 D N 1.439 122.020 120.400 0.301 0.000 2.478 96 D HA 0.425 5.062 4.640 -0.005 0.000 0.240 96 D C -0.631 175.783 176.300 0.189 0.000 1.364 96 D CA -0.374 53.760 54.000 0.223 0.000 0.987 96 D CB 0.762 41.641 40.800 0.132 0.000 1.328 96 D HN 0.827 nan 8.370 nan 0.000 0.584 97 G N 1.524 110.452 108.800 0.212 0.000 2.523 97 G HA2 0.367 4.324 3.960 -0.005 0.000 0.291 97 G HA3 0.367 4.324 3.960 -0.005 0.000 0.291 97 G C -1.780 173.207 174.900 0.146 0.000 1.450 97 G CA -0.922 44.267 45.100 0.148 0.000 0.790 97 G HN 0.427 nan 8.290 nan 0.000 0.496 98 H N -0.652 118.398 119.070 -0.034 0.000 2.525 98 H HA 0.742 5.295 4.556 -0.005 0.000 0.339 98 H C -0.786 174.421 175.328 -0.202 0.000 1.109 98 H CA -0.302 55.683 56.048 -0.106 0.000 1.352 98 H CB 1.576 31.291 29.762 -0.079 0.000 1.461 98 H HN 0.494 nan 8.280 nan 0.000 0.533 99 L N 4.154 124.943 121.223 -0.722 0.000 2.409 99 L HA 0.370 4.707 4.340 -0.005 0.000 0.272 99 L C -1.146 175.322 176.870 -0.671 0.000 0.980 99 L CA -0.551 53.902 54.840 -0.645 0.000 0.826 99 L CB 1.603 43.235 42.059 -0.712 0.000 1.268 99 L HN 0.666 nan 8.230 nan 0.000 0.407 100 K N 5.846 126.033 120.400 -0.354 0.000 2.184 100 K HA 0.499 4.817 4.320 -0.005 0.000 0.259 100 K C -0.743 175.813 176.600 -0.074 0.000 1.119 100 K CA -0.351 55.820 56.287 -0.193 0.000 0.991 100 K CB 0.186 32.635 32.500 -0.085 0.000 1.522 100 K HN 0.611 nan 8.250 nan 0.000 0.405 101 R N -0.711 119.802 120.500 0.021 0.000 2.716 101 R HA 0.557 4.894 4.340 -0.005 0.000 0.271 101 R C -1.366 175.113 176.300 0.297 0.000 1.028 101 R CA -1.063 55.128 56.100 0.152 0.000 0.883 101 R CB 0.665 31.058 30.300 0.154 0.000 1.250 101 R HN 0.209 nan 8.270 nan 0.000 0.465 102 A N 1.895 124.844 122.820 0.215 0.000 2.498 102 A HA 0.402 4.719 4.320 -0.005 0.000 0.239 102 A C -2.070 175.656 177.584 0.237 0.000 1.068 102 A CA -1.123 51.040 52.037 0.210 0.000 0.766 102 A CB -0.444 18.635 19.000 0.132 0.000 1.003 102 A HN 0.555 nan 8.150 nan 0.000 0.497 103 P HA 0.146 nan 4.420 nan 0.000 0.267 103 P C -0.474 176.874 177.300 0.080 0.000 1.200 103 P CA 0.273 63.345 63.100 -0.047 0.000 0.772 103 P CB 0.413 32.051 31.700 -0.104 0.000 0.855 104 K N 1.661 122.129 120.400 0.113 0.000 2.468 104 K HA 0.568 4.885 4.320 -0.005 0.000 0.252 104 K C -1.811 174.846 176.600 0.095 0.000 0.932 104 K CA -0.943 55.381 56.287 0.062 0.000 0.794 104 K CB 2.092 34.609 32.500 0.028 0.000 1.241 104 K HN 0.219 nan 8.250 nan 0.000 0.428 105 V N 4.941 124.835 119.914 -0.034 0.000 2.555 105 V HA 0.557 4.674 4.120 -0.005 0.000 0.302 105 V C -1.796 174.154 176.094 -0.240 0.000 1.038 105 V CA -0.430 61.799 62.300 -0.118 0.000 0.887 105 V CB 1.127 33.084 31.823 0.224 0.000 0.991 105 V HN 0.729 nan 8.190 nan 0.000 0.434 106 Y N 4.569 124.771 120.300 -0.163 0.000 2.377 106 Y HA 0.744 5.291 4.550 -0.005 0.000 0.339 106 Y C 0.089 175.805 175.900 -0.306 0.000 1.011 106 Y CA -0.396 57.636 58.100 -0.113 0.000 1.093 106 Y CB 1.901 40.283 38.460 -0.130 0.000 1.201 106 Y HN 0.794 nan 8.280 nan 0.000 0.455 107 C N 2.336 121.448 119.300 -0.313 0.000 2.716 107 C HA 0.555 5.012 4.460 -0.005 0.000 0.366 107 C C 0.793 175.513 174.990 -0.450 0.000 1.073 107 C CA -0.072 58.570 59.018 -0.625 0.000 1.260 107 C CB -0.006 26.803 27.740 -1.551 0.000 1.755 107 C HN 1.189 nan 8.230 nan 0.000 0.475 108 G N 3.877 112.517 108.800 -0.267 0.000 2.379 108 G HA2 0.158 4.115 3.960 -0.005 0.000 0.297 108 G HA3 0.158 4.115 3.960 -0.005 0.000 0.297 108 G C 1.429 176.267 174.900 -0.104 0.000 1.004 108 G CA 1.715 46.713 45.100 -0.170 0.000 0.921 108 G HN 2.803 nan 8.290 nan 0.000 0.511 109 G N -1.604 107.159 108.800 -0.062 0.000 2.258 109 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.233 109 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.233 109 G C 0.205 175.132 174.900 0.044 0.000 1.006 109 G CA 0.686 45.785 45.100 -0.003 0.000 0.620 109 G HN 0.832 nan 8.290 nan 0.000 0.511 110 D N 1.131 121.554 120.400 0.038 0.000 2.388 110 D HA 0.590 5.227 4.640 -0.005 0.000 0.254 110 D C 0.584 176.996 176.300 0.187 0.000 1.111 110 D CA 0.278 54.355 54.000 0.127 0.000 0.993 110 D CB 1.107 42.039 40.800 0.219 0.000 1.118 110 D HN 0.755 nan 8.370 nan 0.000 0.502 111 E N -0.805 119.488 120.200 0.155 0.000 2.383 111 E HA 0.691 5.039 4.350 -0.005 0.000 0.275 111 E C -0.916 175.658 176.600 -0.044 0.000 0.918 111 E CA -0.930 55.481 56.400 0.019 0.000 0.764 111 E CB 2.383 31.943 29.700 -0.233 0.000 1.252 111 E HN 0.261 nan 8.360 nan 0.000 0.449 112 R N 0.917 121.326 120.500 -0.153 0.000 2.817 112 R HA 0.350 4.687 4.340 -0.005 0.000 0.268 112 R C -1.433 174.757 176.300 -0.184 0.000 1.027 112 R CA -1.042 54.896 56.100 -0.271 0.000 0.928 112 R CB 1.313 31.239 30.300 -0.622 0.000 1.228 112 R HN 0.526 nan 8.270 nan 0.000 0.469 113 D N 0.657 120.971 120.400 -0.143 0.000 2.304 113 D HA 0.075 4.712 4.640 -0.005 0.000 0.250 113 D C 1.177 177.471 176.300 -0.009 0.000 1.107 113 D CA -0.209 53.768 54.000 -0.039 0.000 0.885 113 D CB 1.807 42.608 40.800 0.001 0.000 1.192 113 D HN 0.153 nan 8.370 nan 0.000 0.436 114 V N 2.282 122.270 119.914 0.124 0.000 2.392 114 V HA -0.212 3.906 4.120 -0.005 0.000 0.249 114 V C 1.978 178.238 176.094 0.277 0.000 1.059 114 V CA 1.497 63.971 62.300 0.290 0.000 1.051 114 V CB -0.293 31.715 31.823 0.308 0.000 0.658 114 V HN 0.549 nan 8.190 nan 0.000 0.455 115 L N -0.767 120.595 121.223 0.231 0.000 2.607 115 L HA 0.171 4.508 4.340 -0.005 0.000 0.228 115 L C 1.302 178.323 176.870 0.253 0.000 1.123 115 L CA -0.041 55.005 54.840 0.343 0.000 0.890 115 L CB -0.091 42.214 42.059 0.411 0.000 1.103 115 L HN 0.203 nan 8.230 nan 0.000 0.468 116 R N 1.394 121.928 120.500 0.057 0.000 2.442 116 R HA 0.306 4.643 4.340 -0.005 0.000 0.291 116 R C -1.220 174.960 176.300 -0.200 0.000 1.069 116 R CA 0.001 56.084 56.100 -0.028 0.000 1.022 116 R CB 0.968 31.212 30.300 -0.094 0.000 0.976 116 R HN -0.127 nan 8.270 nan 0.000 0.443 117 V N 5.184 124.977 119.914 -0.202 0.000 2.407 117 V HA 0.583 4.700 4.120 -0.005 0.000 0.291 117 V C 0.588 176.496 176.094 -0.310 0.000 1.018 117 V CA 0.125 62.169 62.300 -0.428 0.000 0.842 117 V CB 1.200 32.581 31.823 -0.737 0.000 0.996 117 V HN 1.111 nan 8.190 nan 0.000 0.426 118 G N 3.223 111.856 108.800 -0.280 0.000 3.307 118 G HA2 0.181 4.138 3.960 -0.005 0.000 0.147 118 G HA3 0.181 4.138 3.960 -0.005 0.000 0.147 118 G C 0.439 175.233 174.900 -0.177 0.000 1.183 118 G CA 0.490 45.501 45.100 -0.148 0.000 1.485 118 G HN 0.640 nan 8.290 nan 0.000 0.726 119 S N 0.481 116.089 115.700 -0.154 0.000 3.885 119 S HA 0.270 4.737 4.470 -0.005 0.000 0.291 119 S C 1.314 175.803 174.600 -0.185 0.000 1.659 119 S CA 0.542 58.654 58.200 -0.147 0.000 1.353 119 S CB -0.847 62.268 63.200 -0.142 0.000 0.591 119 S HN 1.561 nan 8.310 nan 0.000 0.355 120 G N 0.800 109.500 108.800 -0.168 0.000 2.716 120 G HA2 0.470 4.428 3.960 -0.005 0.000 0.296 120 G HA3 0.470 4.428 3.960 -0.005 0.000 0.296 120 G C 0.460 175.179 174.900 -0.303 0.000 0.811 120 G CA -0.233 44.764 45.100 -0.171 0.000 1.758 120 G HN 0.805 nan 8.290 nan 0.000 0.512 121 G N 0.481 109.033 108.800 -0.413 0.000 2.699 121 G HA2 0.283 4.241 3.960 -0.005 0.000 0.246 121 G HA3 0.283 4.241 3.960 -0.005 0.000 0.246 121 G C 0.473 175.099 174.900 -0.457 0.000 1.219 121 G CA -0.634 44.063 45.100 -0.673 0.000 0.866 121 G HN 0.537 nan 8.290 nan 0.000 0.572 122 F N -1.296 118.295 119.950 -0.599 0.000 2.731 122 F HA 0.246 4.770 4.527 -0.005 0.000 0.298 122 F C 0.623 176.324 175.800 -0.164 0.000 1.106 122 F CA -0.779 57.019 58.000 -0.338 0.000 1.329 122 F CB 0.370 39.208 39.000 -0.270 0.000 1.100 122 F HN 0.576 nan 8.300 nan 0.000 0.592 123 W N 0.914 122.225 121.300 0.018 0.000 2.799 123 W HA 0.679 5.336 4.660 -0.005 0.000 0.349 123 W C -3.027 173.395 176.519 -0.162 0.000 1.100 123 W CA -3.120 54.156 57.345 -0.115 0.000 1.174 123 W CB -0.920 28.475 29.460 -0.109 0.000 1.427 123 W HN -0.396 nan 8.180 nan 0.000 0.547 124 P HA 0.455 nan 4.420 nan 0.000 0.276 124 P C -0.874 176.526 177.300 0.166 0.000 1.252 124 P CA -0.506 62.575 63.100 -0.031 0.000 0.802 124 P CB 0.989 32.551 31.700 -0.230 0.000 1.035 125 R N 0.479 121.078 120.500 0.165 0.000 2.808 125 R HA 0.611 4.948 4.340 -0.005 0.000 0.272 125 R C -0.111 176.272 176.300 0.139 0.000 0.995 125 R CA -0.925 55.282 56.100 0.179 0.000 0.917 125 R CB 2.206 32.509 30.300 0.006 0.000 1.217 125 R HN 0.361 nan 8.270 nan 0.000 0.471 126 R N 0.618 121.169 120.500 0.084 0.000 2.638 126 R HA 0.234 4.571 4.340 -0.005 0.000 0.269 126 R C -1.042 175.280 176.300 0.036 0.000 1.393 126 R CA -0.255 55.857 56.100 0.021 0.000 1.531 126 R CB 1.679 31.924 30.300 -0.090 0.000 1.327 126 R HN 0.459 nan 8.270 nan 0.000 0.709 127 S N 0.297 116.021 115.700 0.039 0.000 2.594 127 S HA 0.396 4.863 4.470 -0.005 0.000 0.296 127 S C 0.304 174.952 174.600 0.080 0.000 1.124 127 S CA -0.630 57.617 58.200 0.078 0.000 1.011 127 S CB 1.982 65.205 63.200 0.040 0.000 1.016 127 S HN 0.540 nan 8.310 nan 0.000 0.485 128 R N 3.757 124.336 120.500 0.133 0.000 2.064 128 R HA 0.436 4.773 4.340 -0.005 0.000 0.210 128 R C -0.083 176.336 176.300 0.199 0.000 1.221 128 R CA 0.154 56.316 56.100 0.104 0.000 1.055 128 R CB -0.140 30.208 30.300 0.080 0.000 0.946 128 R HN 0.610 nan 8.270 nan 0.000 0.459 129 L N 1.275 122.642 121.223 0.240 0.000 2.350 129 L HA 0.228 4.565 4.340 -0.005 0.000 0.275 129 L C -0.669 176.490 176.870 0.482 0.000 1.099 129 L CA -0.293 54.707 54.840 0.266 0.000 0.808 129 L CB 1.213 43.400 42.059 0.213 0.000 1.149 129 L HN 0.381 nan 8.230 nan 0.000 0.442 130 W N 3.814 125.259 121.300 0.241 0.000 2.728 130 W HA 0.323 4.980 4.660 -0.004 0.000 0.324 130 W C 0.394 177.029 176.519 0.194 0.000 1.012 130 W CA -0.735 56.783 57.345 0.289 0.000 1.279 130 W CB 1.850 31.461 29.460 0.253 0.000 1.289 130 W HN 0.715 nan 8.180 nan 0.000 0.418 131 G N 3.914 112.494 108.800 -0.368 0.000 2.395 131 G HA2 -0.049 3.908 3.960 -0.005 0.000 0.292 131 G HA3 -0.049 3.908 3.960 -0.005 0.000 0.292 131 G C 1.129 175.792 174.900 -0.395 0.000 0.953 131 G CA 1.059 45.837 45.100 -0.536 0.000 1.207 131 G HN 1.897 nan 8.290 nan 0.000 0.503 132 G N -2.678 105.836 108.800 -0.477 0.000 2.220 132 G HA2 -0.155 3.802 3.960 -0.005 0.000 0.269 132 G HA3 -0.155 3.802 3.960 -0.005 0.000 0.269 132 G C 0.710 175.500 174.900 -0.183 0.000 0.977 132 G CA 0.786 45.686 45.100 -0.334 0.000 0.634 132 G HN 1.661 nan 8.290 nan 0.000 0.539 133 V N 0.875 120.717 119.914 -0.121 0.000 2.953 133 V HA 0.540 4.657 4.120 -0.005 0.000 0.304 133 V C 0.226 176.212 176.094 -0.180 0.000 1.073 133 V CA 0.177 62.373 62.300 -0.173 0.000 1.064 133 V CB 1.812 33.497 31.823 -0.230 0.000 1.047 133 V HN 0.353 nan 8.190 nan 0.000 0.478 134 D N 0.371 120.620 120.400 -0.253 0.000 2.454 134 D HA 0.236 4.873 4.640 -0.005 0.000 0.247 134 D C 0.423 176.602 176.300 -0.201 0.000 1.129 134 D CA -0.346 53.555 54.000 -0.166 0.000 0.877 134 D CB 0.518 41.229 40.800 -0.148 0.000 1.082 134 D HN 0.579 nan 8.370 nan 0.000 0.537 135 H N 1.898 120.960 119.070 -0.013 0.000 2.536 135 H HA 0.262 4.815 4.556 -0.005 0.000 0.276 135 H C 0.358 175.642 175.328 -0.073 0.000 1.019 135 H CA -0.061 55.971 56.048 -0.027 0.000 1.159 135 H CB 0.302 30.058 29.762 -0.011 0.000 1.373 135 H HN 0.387 nan 8.280 nan 0.000 0.584 136 A N 2.968 125.765 122.820 -0.038 0.000 2.450 136 A HA 0.237 4.555 4.320 -0.005 0.000 0.255 136 A C -1.764 175.804 177.584 -0.027 0.000 1.096 136 A CA -1.120 50.833 52.037 -0.139 0.000 0.778 136 A CB 0.082 18.977 19.000 -0.174 0.000 1.031 136 A HN 0.055 nan 8.150 nan 0.000 0.494 137 P HA 0.209 nan 4.420 nan 0.000 0.266 137 P C 0.140 177.503 177.300 0.105 0.000 1.195 137 P CA 0.270 63.403 63.100 0.055 0.000 0.768 137 P CB 0.360 32.103 31.700 0.073 0.000 0.838 138 A N 2.729 125.592 122.820 0.070 0.000 2.587 138 A HA 0.347 4.664 4.320 -0.005 0.000 0.235 138 A C 1.611 179.249 177.584 0.091 0.000 1.044 138 A CA 0.852 52.929 52.037 0.068 0.000 0.754 138 A CB -1.347 17.676 19.000 0.038 0.000 0.968 138 A HN 0.970 nan 8.150 nan 0.000 0.509 139 G N 1.011 109.863 108.800 0.086 0.000 2.179 139 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.260 139 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.260 139 G C 0.198 175.156 174.900 0.096 0.000 0.977 139 G CA 0.379 45.522 45.100 0.072 0.000 0.641 139 G HN 1.763 nan 8.290 nan 0.000 0.533 140 F N 2.011 121.967 119.950 0.010 0.000 2.571 140 F HA 0.479 5.003 4.527 -0.005 0.000 0.390 140 F C 0.515 176.312 175.800 -0.005 0.000 1.043 140 F CA 0.099 58.103 58.000 0.008 0.000 1.164 140 F CB 0.433 39.437 39.000 0.007 0.000 1.049 140 F HN 0.180 nan 8.300 nan 0.000 0.552 141 N N 6.614 124.882 118.700 -0.720 0.000 3.091 141 N HA 0.199 4.936 4.740 -0.005 0.000 0.185 141 N C -3.143 172.111 175.510 -0.425 0.000 1.398 141 N CA -1.052 51.702 53.050 -0.494 0.000 0.938 141 N CB 0.234 38.612 38.487 -0.181 0.000 1.605 141 N HN 0.292 nan 8.380 nan 0.000 0.597 142 P HA 0.289 nan 4.420 nan 0.000 0.275 142 P C -0.395 176.850 177.300 -0.092 0.000 1.228 142 P CA -0.002 62.927 63.100 -0.284 0.000 0.786 142 P CB 0.770 32.261 31.700 -0.350 0.000 0.927 143 T N 1.014 115.569 114.554 0.002 0.000 2.884 143 T HA 0.277 4.624 4.350 -0.005 0.000 0.298 143 T C 0.161 174.921 174.700 0.101 0.000 0.998 143 T CA -0.225 61.910 62.100 0.060 0.000 1.124 143 T CB 0.546 69.446 68.868 0.053 0.000 0.931 143 T HN 0.152 nan 8.240 nan 0.000 0.531 144 V N 3.700 123.680 119.914 0.111 0.000 2.444 144 V HA 0.409 4.526 4.120 -0.005 0.000 0.294 144 V C 0.982 177.104 176.094 0.047 0.000 1.022 144 V CA -0.528 61.834 62.300 0.103 0.000 0.850 144 V CB 1.554 33.424 31.823 0.078 0.000 0.992 144 V HN 1.185 nan 8.190 nan 0.000 0.426 145 T N 1.610 116.230 114.554 0.110 0.000 3.311 145 T HA 0.221 4.568 4.350 -0.005 0.000 0.239 145 T C 0.559 175.370 174.700 0.186 0.000 0.976 145 T CA 0.640 62.801 62.100 0.102 0.000 1.283 145 T CB 0.331 69.245 68.868 0.077 0.000 1.113 145 T HN 0.630 nan 8.240 nan 0.000 0.392 146 V N 1.749 121.790 119.914 0.212 0.000 2.539 146 V HA 0.838 4.955 4.120 -0.005 0.000 0.292 146 V C -0.620 175.777 176.094 0.504 0.000 1.045 146 V CA -1.487 60.976 62.300 0.273 0.000 0.945 146 V CB 0.331 32.248 31.823 0.156 0.000 0.993 146 V HN 0.671 nan 8.190 nan 0.000 0.464 147 F N 0.927 121.111 119.950 0.390 0.000 2.654 147 F HA 0.753 5.277 4.527 -0.005 0.000 0.308 147 F C -0.795 175.089 175.800 0.139 0.000 1.108 147 F CA -1.151 57.037 58.000 0.313 0.000 0.957 147 F CB 1.334 40.411 39.000 0.128 0.000 1.309 147 F HN 0.781 nan 8.300 nan 0.000 0.446 148 H N 1.048 119.915 119.070 -0.338 0.000 2.481 148 H HA 0.794 5.348 4.556 -0.004 0.000 0.339 148 H C -1.467 173.772 175.328 -0.149 0.000 1.131 148 H CA -0.544 55.047 56.048 -0.763 0.000 1.301 148 H CB 1.788 30.687 29.762 -1.438 0.000 1.476 148 H HN 0.663 nan 8.280 nan 0.000 0.529 149 V N 6.947 126.408 119.914 -0.756 0.000 2.487 149 V HA 0.073 4.190 4.120 -0.005 0.000 0.298 149 V C -0.310 175.448 176.094 -0.560 0.000 1.028 149 V CA -0.473 61.632 62.300 -0.325 0.000 0.860 149 V CB 0.900 32.603 31.823 -0.201 0.000 0.991 149 V HN 0.963 nan 8.190 nan 0.000 0.427 150 Y N 1.386 121.490 120.300 -0.327 0.000 2.462 150 Y HA 0.641 5.189 4.550 -0.004 0.000 0.253 150 Y C 0.295 176.156 175.900 -0.065 0.000 1.095 150 Y CA -0.148 57.726 58.100 -0.377 0.000 1.283 150 Y CB 0.747 39.015 38.460 -0.321 0.000 1.138 150 Y HN 0.556 nan 8.280 nan 0.000 0.522 151 D N 0.202 120.199 120.400 -0.671 0.000 2.648 151 D HA 0.469 5.106 4.640 -0.005 0.000 0.244 151 D C -1.670 174.388 176.300 -0.403 0.000 1.244 151 D CA -0.527 53.157 54.000 -0.527 0.000 0.772 151 D CB 2.139 42.474 40.800 -0.775 0.000 1.379 151 D HN 0.138 nan 8.370 nan 0.000 0.428 152 I N 1.907 122.332 120.570 -0.242 0.000 2.533 152 I HA 0.395 4.562 4.170 -0.005 0.000 0.290 152 I C -0.525 175.490 176.117 -0.170 0.000 1.056 152 I CA -0.792 60.387 61.300 -0.202 0.000 1.057 152 I CB 1.813 39.737 38.000 -0.127 0.000 1.240 152 I HN 0.191 nan 8.210 nan 0.000 0.423 153 L N 4.709 125.823 121.223 -0.183 0.000 2.334 153 L HA 0.562 4.899 4.340 -0.005 0.000 0.272 153 L C -0.221 176.572 176.870 -0.128 0.000 1.020 153 L CA -0.589 54.170 54.840 -0.134 0.000 0.812 153 L CB 1.811 43.795 42.059 -0.124 0.000 1.264 153 L HN 0.599 nan 8.230 nan 0.000 0.439 154 E N 2.392 122.537 120.200 -0.091 0.000 2.267 154 E HA 0.317 4.664 4.350 -0.005 0.000 0.248 154 E C -1.387 175.174 176.600 -0.064 0.000 0.899 154 E CA -0.479 55.871 56.400 -0.083 0.000 0.764 154 E CB 0.882 30.549 29.700 -0.056 0.000 1.227 154 E HN 0.556 nan 8.360 nan 0.000 0.421 155 N N 2.149 120.805 118.700 -0.074 0.000 2.381 155 N HA 0.362 5.099 4.740 -0.005 0.000 0.294 155 N C -1.111 174.355 175.510 -0.074 0.000 1.216 155 N CA -0.695 52.322 53.050 -0.054 0.000 0.803 155 N CB 2.153 40.617 38.487 -0.039 0.000 1.372 155 N HN 0.141 nan 8.380 nan 0.000 0.500 156 V N 1.320 121.198 119.914 -0.060 0.000 2.407 156 V HA 0.215 4.332 4.120 -0.005 0.000 0.278 156 V C 0.191 176.204 176.094 -0.134 0.000 1.037 156 V CA -0.227 62.005 62.300 -0.114 0.000 0.900 156 V CB 0.981 32.744 31.823 -0.100 0.000 0.983 156 V HN 0.571 nan 8.190 nan 0.000 0.459 157 E N 3.585 123.682 120.200 -0.172 0.000 2.249 157 E HA 0.553 4.901 4.350 -0.005 0.000 0.263 157 E C -1.166 175.266 176.600 -0.280 0.000 0.950 157 E CA -0.852 55.488 56.400 -0.099 0.000 0.827 157 E CB 1.830 31.556 29.700 0.044 0.000 1.220 157 E HN 0.655 nan 8.360 nan 0.000 0.411 158 H N 0.265 119.374 119.070 0.065 0.000 2.658 158 H HA 0.227 4.780 4.556 -0.005 0.000 0.337 158 H C 0.381 175.753 175.328 0.074 0.000 1.009 158 H CA -0.303 55.784 56.048 0.064 0.000 1.231 158 H CB 1.980 31.782 29.762 0.066 0.000 1.508 158 H HN 0.737 nan 8.280 nan 0.000 0.517 159 A N 3.540 126.456 122.820 0.160 0.000 1.929 159 A HA -0.328 3.989 4.320 -0.005 0.000 0.221 159 A C 1.936 179.572 177.584 0.087 0.000 1.211 159 A CA 2.031 54.133 52.037 0.109 0.000 0.657 159 A CB -0.927 18.130 19.000 0.095 0.000 0.827 159 A HN 0.782 nan 8.150 nan 0.000 0.462 160 Y N 0.430 120.759 120.300 0.048 0.000 2.128 160 Y HA -0.118 4.429 4.550 -0.005 0.000 0.284 160 Y C 2.607 178.503 175.900 -0.006 0.000 1.154 160 Y CA 1.826 59.934 58.100 0.012 0.000 1.149 160 Y CB -0.828 37.634 38.460 0.003 0.000 0.976 160 Y HN 0.258 nan 8.280 nan 0.000 0.505 161 G N -0.401 108.497 108.800 0.163 0.000 2.442 161 G HA2 -0.220 3.738 3.960 -0.005 0.000 0.219 161 G HA3 -0.220 3.738 3.960 -0.005 0.000 0.219 161 G C 1.268 176.125 174.900 -0.071 0.000 1.141 161 G CA 1.239 46.375 45.100 0.060 0.000 0.763 161 G HN 0.359 nan 8.290 nan 0.000 0.554 162 M N 0.771 120.312 119.600 -0.097 0.000 2.383 162 M HA 0.189 4.666 4.480 -0.005 0.000 0.247 162 M C 2.136 178.234 176.300 -0.337 0.000 1.117 162 M CA -0.015 55.135 55.300 -0.250 0.000 0.995 162 M CB 0.080 32.538 32.600 -0.236 0.000 1.480 162 M HN 0.418 nan 8.290 nan 0.000 0.485 163 R N 0.443 120.789 120.500 -0.256 0.000 2.241 163 R HA 0.019 4.356 4.340 -0.005 0.000 0.224 163 R C 1.473 177.638 176.300 -0.225 0.000 1.101 163 R CA 1.592 57.553 56.100 -0.232 0.000 0.995 163 R CB -0.467 29.687 30.300 -0.244 0.000 0.870 163 R HN 0.225 nan 8.270 nan 0.000 0.463 164 A N 1.028 123.702 122.820 -0.244 0.000 2.229 164 A HA 0.485 4.802 4.320 -0.005 0.000 0.211 164 A C 1.214 178.676 177.584 -0.203 0.000 1.193 164 A CA 0.169 52.095 52.037 -0.186 0.000 0.879 164 A CB 0.138 19.046 19.000 -0.154 0.000 0.911 164 A HN 0.451 nan 8.150 nan 0.000 0.492 165 A N -0.004 122.616 122.820 -0.334 0.000 2.482 165 A HA 0.272 4.589 4.320 -0.005 0.000 0.249 165 A C 0.326 177.727 177.584 -0.306 0.000 1.114 165 A CA 0.378 52.161 52.037 -0.424 0.000 0.797 165 A CB -0.061 18.288 19.000 -1.086 0.000 1.067 165 A HN 0.474 nan 8.150 nan 0.000 0.514 166 Q N 0.033 119.815 119.800 -0.031 0.000 2.628 166 Q HA 0.303 4.640 4.340 -0.005 0.000 0.397 166 Q C -1.336 174.836 176.000 0.287 0.000 0.916 166 Q CA 0.085 55.940 55.803 0.087 0.000 1.071 166 Q CB 0.447 29.235 28.738 0.084 0.000 1.367 166 Q HN 0.651 nan 8.270 nan 0.000 0.404 167 F N 0.759 120.705 119.950 -0.006 0.000 2.389 167 F HA 0.226 4.750 4.527 -0.005 0.000 0.337 167 F C 1.163 177.039 175.800 0.127 0.000 1.112 167 F CA -1.092 56.911 58.000 0.005 0.000 1.192 167 F CB 0.772 39.760 39.000 -0.020 0.000 1.185 167 F HN 0.313 nan 8.300 nan 0.000 0.552 168 H N 1.306 120.592 119.070 0.361 0.000 2.836 168 H HA 0.042 4.595 4.556 -0.005 0.000 0.368 168 H C 0.779 176.131 175.328 0.040 0.000 1.164 168 H CA 0.058 56.185 56.048 0.132 0.000 1.425 168 H CB 0.628 30.387 29.762 -0.006 0.000 1.414 168 H HN 0.755 nan 8.280 nan 0.000 0.614 169 A N 2.792 125.659 122.820 0.079 0.000 1.930 169 A HA -0.169 4.149 4.320 -0.005 0.000 0.217 169 A C 2.312 179.847 177.584 -0.082 0.000 1.175 169 A CA 1.512 53.552 52.037 0.006 0.000 0.627 169 A CB -0.381 18.610 19.000 -0.015 0.000 0.815 169 A HN 0.806 nan 8.150 nan 0.000 0.443 170 R N -1.184 119.174 120.500 -0.237 0.000 2.127 170 R HA -0.124 4.213 4.340 -0.005 0.000 0.238 170 R C 1.722 177.860 176.300 -0.269 0.000 1.134 170 R CA 1.873 57.797 56.100 -0.294 0.000 0.975 170 R CB -0.829 29.222 30.300 -0.414 0.000 0.865 170 R HN 0.501 nan 8.270 nan 0.000 0.447 171 F N 0.867 120.741 119.950 -0.127 0.000 2.187 171 F HA 0.030 4.554 4.527 -0.005 0.000 0.295 171 F C 2.718 178.403 175.800 -0.192 0.000 1.091 171 F CA 0.358 58.127 58.000 -0.385 0.000 1.308 171 F CB -0.214 38.314 39.000 -0.787 0.000 1.030 171 F HN -0.156 nan 8.300 nan 0.000 0.487 172 M N 0.210 119.881 119.600 0.119 0.000 2.117 172 M HA -0.205 4.272 4.480 -0.005 0.000 0.262 172 M C 1.608 177.963 176.300 0.092 0.000 1.065 172 M CA 1.540 56.914 55.300 0.122 0.000 1.114 172 M CB -1.042 31.616 32.600 0.098 0.000 1.361 172 M HN 0.083 nan 8.290 nan 0.000 0.408 173 D N 0.759 121.192 120.400 0.055 0.000 2.104 173 D HA -0.102 4.535 4.640 -0.005 0.000 0.194 173 D C 1.844 178.188 176.300 0.074 0.000 0.994 173 D CA 1.719 55.746 54.000 0.045 0.000 0.830 173 D CB -0.204 40.605 40.800 0.015 0.000 0.959 173 D HN 0.355 nan 8.370 nan 0.000 0.452 174 A N 0.491 123.383 122.820 0.120 0.000 2.225 174 A HA -0.069 4.248 4.320 -0.005 0.000 0.215 174 A C 1.825 179.507 177.584 0.163 0.000 1.164 174 A CA 0.798 52.937 52.037 0.170 0.000 0.710 174 A CB -0.719 18.459 19.000 0.297 0.000 0.780 174 A HN 0.498 nan 8.150 nan 0.000 0.473 175 I N -5.667 114.991 120.570 0.147 0.000 3.813 175 I HA 0.188 4.355 4.170 -0.005 0.000 0.323 175 I C 0.947 177.088 176.117 0.040 0.000 1.536 175 I CA 0.284 61.638 61.300 0.090 0.000 1.083 175 I CB -0.328 37.766 38.000 0.156 0.000 1.265 175 I HN -0.069 nan 8.210 nan 0.000 0.507 176 T N 1.767 116.339 114.554 0.030 0.000 2.635 176 T HA -0.044 4.303 4.350 -0.005 0.000 0.267 176 T C -0.399 174.299 174.700 -0.004 0.000 1.040 176 T CA 2.189 64.305 62.100 0.026 0.000 1.156 176 T CB -1.397 67.485 68.868 0.023 0.000 0.863 176 T HN 0.404 nan 8.240 nan 0.000 0.430 177 P HA 0.177 nan 4.420 nan 0.000 0.211 177 P C 0.770 178.043 177.300 -0.046 0.000 1.150 177 P CA 1.022 64.051 63.100 -0.120 0.000 0.896 177 P CB -0.015 31.427 31.700 -0.431 0.000 0.764 178 T N -3.818 110.650 114.554 -0.143 0.000 2.838 178 T HA 0.771 5.118 4.350 -0.005 0.000 0.292 178 T C -0.519 174.095 174.700 -0.144 0.000 1.113 178 T CA -0.570 61.407 62.100 -0.205 0.000 1.008 178 T CB 1.723 70.421 68.868 -0.284 0.000 1.259 178 T HN 0.233 nan 8.240 nan 0.000 0.520 179 G N -0.045 108.666 108.800 -0.149 0.000 2.667 179 G HA2 0.538 4.495 3.960 -0.005 0.000 0.294 179 G HA3 0.538 4.495 3.960 -0.005 0.000 0.294 179 G C -1.186 173.665 174.900 -0.081 0.000 1.467 179 G CA -0.724 44.342 45.100 -0.058 0.000 0.852 179 G HN 0.813 nan 8.290 nan 0.000 0.521 180 T N 0.877 115.400 114.554 -0.050 0.000 2.767 180 T HA 0.520 4.867 4.350 -0.005 0.000 0.288 180 T C 0.083 174.707 174.700 -0.127 0.000 0.963 180 T CA -0.245 61.810 62.100 -0.075 0.000 1.019 180 T CB 1.441 70.288 68.868 -0.035 0.000 0.923 180 T HN 0.423 nan 8.240 nan 0.000 0.468 181 V N 4.857 124.650 119.914 -0.202 0.000 2.435 181 V HA 0.402 4.520 4.120 -0.005 0.000 0.290 181 V C -0.289 175.644 176.094 -0.267 0.000 1.030 181 V CA -0.930 61.157 62.300 -0.354 0.000 0.881 181 V CB 1.341 32.873 31.823 -0.485 0.000 0.983 181 V HN 0.678 nan 8.190 nan 0.000 0.445 182 I N 3.971 124.352 120.570 -0.315 0.000 2.312 182 I HA 0.363 4.531 4.170 -0.005 0.000 0.290 182 I C 0.574 176.481 176.117 -0.349 0.000 1.008 182 I CA 0.071 61.169 61.300 -0.336 0.000 1.226 182 I CB 1.337 39.031 38.000 -0.510 0.000 1.371 182 I HN 0.583 nan 8.210 nan 0.000 0.468 183 T N 7.519 121.905 114.554 -0.280 0.000 2.758 183 T HA 0.538 4.885 4.350 -0.005 0.000 0.285 183 T C 0.106 174.607 174.700 -0.332 0.000 0.981 183 T CA -0.485 61.426 62.100 -0.315 0.000 0.965 183 T CB 0.528 69.258 68.868 -0.229 0.000 0.927 183 T HN 0.219 nan 8.240 nan 0.000 0.448 184 L N 4.660 125.668 121.223 -0.359 0.000 2.257 184 L HA 0.465 4.802 4.340 -0.005 0.000 0.290 184 L C -0.251 176.461 176.870 -0.263 0.000 1.044 184 L CA -0.645 54.025 54.840 -0.282 0.000 0.810 184 L CB 0.547 42.477 42.059 -0.214 0.000 1.193 184 L HN 0.398 nan 8.230 nan 0.000 0.425 185 L N 3.492 124.544 121.223 -0.284 0.000 2.295 185 L HA 0.820 5.157 4.340 -0.005 0.000 0.285 185 L C 0.610 177.472 176.870 -0.014 0.000 1.035 185 L CA -0.150 54.555 54.840 -0.225 0.000 0.806 185 L CB 1.573 43.403 42.059 -0.382 0.000 1.214 185 L HN 0.802 nan 8.230 nan 0.000 0.426 186 G N 3.130 112.071 108.800 0.235 0.000 2.474 186 G HA2 0.454 4.412 3.960 -0.005 0.000 0.234 186 G HA3 0.454 4.412 3.960 -0.005 0.000 0.234 186 G C -1.803 173.319 174.900 0.370 0.000 1.204 186 G CA -0.523 44.889 45.100 0.520 0.000 0.939 186 G HN 0.347 nan 8.290 nan 0.000 0.491 187 L N 0.175 121.556 121.223 0.264 0.000 2.491 187 L HA 0.690 5.027 4.340 -0.005 0.000 0.254 187 L C 0.164 177.134 176.870 0.165 0.000 1.048 187 L CA -0.771 54.139 54.840 0.116 0.000 0.855 187 L CB 2.554 44.505 42.059 -0.179 0.000 1.466 187 L HN 0.978 nan 8.230 nan 0.000 0.409 188 T N -3.363 111.314 114.554 0.206 0.000 2.949 188 T HA 0.445 4.792 4.350 -0.005 0.000 0.287 188 T C -2.313 172.552 174.700 0.275 0.000 1.034 188 T CA -1.862 60.428 62.100 0.317 0.000 1.018 188 T CB 1.859 70.921 68.868 0.324 0.000 1.135 188 T HN 0.283 nan 8.240 nan 0.000 0.532 189 P HA -0.024 nan 4.420 nan 0.000 0.219 189 P C 0.727 178.078 177.300 0.084 0.000 1.146 189 P CA 0.888 64.121 63.100 0.222 0.000 0.808 189 P CB 0.001 31.773 31.700 0.121 0.000 0.779 190 E N -1.719 118.498 120.200 0.028 0.000 2.502 190 E HA 0.215 4.563 4.350 -0.005 0.000 0.194 190 E C 1.512 177.982 176.600 -0.217 0.000 1.062 190 E CA 0.756 57.090 56.400 -0.111 0.000 0.867 190 E CB -0.726 28.858 29.700 -0.193 0.000 0.888 190 E HN 0.191 nan 8.360 nan 0.000 0.510 191 G N 0.285 109.008 108.800 -0.129 0.000 2.179 191 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.220 191 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.220 191 G C -0.138 174.748 174.900 -0.023 0.000 0.990 191 G CA -0.322 44.720 45.100 -0.097 0.000 0.646 191 G HN 0.305 nan 8.290 nan 0.000 0.517 192 H N 0.896 120.044 119.070 0.131 0.000 2.652 192 H HA 0.426 4.980 4.556 -0.004 0.000 0.349 192 H C 0.962 176.372 175.328 0.136 0.000 1.099 192 H CA 0.052 56.200 56.048 0.166 0.000 1.417 192 H CB 0.560 30.460 29.762 0.230 0.000 1.457 192 H HN 0.341 nan 8.280 nan 0.000 0.568 193 R N 1.457 122.116 120.500 0.265 0.000 2.254 193 R HA 0.413 4.750 4.340 -0.005 0.000 0.318 193 R C -0.428 175.949 176.300 0.129 0.000 1.031 193 R CA -0.627 55.580 56.100 0.177 0.000 0.905 193 R CB 1.573 31.957 30.300 0.140 0.000 1.050 193 R HN 0.282 nan 8.270 nan 0.000 0.456 194 V N 1.521 121.483 119.914 0.079 0.000 2.735 194 V HA 0.827 4.944 4.120 -0.005 0.000 0.310 194 V C -1.288 174.716 176.094 -0.151 0.000 1.061 194 V CA -0.558 61.718 62.300 -0.041 0.000 0.913 194 V CB 1.928 33.717 31.823 -0.057 0.000 1.005 194 V HN 0.874 nan 8.190 nan 0.000 0.428 195 A N 5.520 128.168 122.820 -0.286 0.000 2.357 195 A HA 0.733 5.050 4.320 -0.005 0.000 0.295 195 A C -0.870 176.383 177.584 -0.551 0.000 1.121 195 A CA -0.164 51.618 52.037 -0.426 0.000 0.742 195 A CB 1.516 20.236 19.000 -0.466 0.000 1.181 195 A HN 1.901 nan 8.150 nan 0.000 0.454 196 V N 4.104 123.692 119.914 -0.542 0.000 2.370 196 V HA 0.507 4.624 4.120 -0.005 0.000 0.283 196 V C -0.830 174.989 176.094 -0.458 0.000 1.023 196 V CA -0.523 61.502 62.300 -0.458 0.000 0.857 196 V CB 0.863 32.435 31.823 -0.419 0.000 0.985 196 V HN 0.802 nan 8.190 nan 0.000 0.443 197 H N 5.572 124.505 119.070 -0.227 0.000 2.761 197 H HA 0.388 4.941 4.556 -0.005 0.000 0.284 197 H C -0.382 174.788 175.328 -0.263 0.000 1.105 197 H CA -0.230 55.642 56.048 -0.294 0.000 1.352 197 H CB 1.555 31.149 29.762 -0.280 0.000 1.423 197 H HN 0.582 nan 8.280 nan 0.000 0.464 198 V N 5.807 125.590 119.914 -0.218 0.000 2.406 198 V HA 0.091 4.208 4.120 -0.005 0.000 0.272 198 V C -0.142 175.856 176.094 -0.161 0.000 1.043 198 V CA -0.496 61.749 62.300 -0.091 0.000 0.915 198 V CB -0.044 31.669 31.823 -0.183 0.000 0.988 198 V HN 0.544 nan 8.190 nan 0.000 0.466 199 Y N 2.079 122.435 120.300 0.093 0.000 2.403 199 Y HA 0.635 5.183 4.550 -0.005 0.000 0.323 199 Y C 1.428 177.422 175.900 0.157 0.000 1.226 199 Y CA 0.580 58.764 58.100 0.139 0.000 1.235 199 Y CB 1.591 40.212 38.460 0.269 0.000 1.248 199 Y HN 0.788 nan 8.280 nan 0.000 0.489 200 G N 0.297 109.256 108.800 0.264 0.000 2.199 200 G HA2 -0.283 3.675 3.960 -0.005 0.000 0.254 200 G HA3 -0.283 3.675 3.960 -0.005 0.000 0.254 200 G C 0.101 175.103 174.900 0.171 0.000 0.982 200 G CA 0.098 45.316 45.100 0.197 0.000 0.632 200 G HN 0.638 nan 8.290 nan 0.000 0.529 201 T N 2.222 116.882 114.554 0.177 0.000 2.784 201 T HA 0.482 4.829 4.350 -0.005 0.000 0.291 201 T C 0.602 175.409 174.700 0.177 0.000 0.942 201 T CA 0.295 62.519 62.100 0.206 0.000 1.161 201 T CB 0.775 69.770 68.868 0.212 0.000 0.885 201 T HN 0.463 nan 8.240 nan 0.000 0.534 202 R N 2.558 123.202 120.500 0.239 0.000 2.589 202 R HA 0.336 4.673 4.340 -0.005 0.000 0.293 202 R C 0.385 176.893 176.300 0.348 0.000 0.963 202 R CA -0.903 55.354 56.100 0.262 0.000 0.905 202 R CB 1.534 32.021 30.300 0.313 0.000 1.144 202 R HN 0.699 nan 8.270 nan 0.000 0.459 203 Q N 2.427 122.364 119.800 0.230 0.000 2.260 203 Q HA 0.401 4.738 4.340 -0.005 0.000 0.238 203 Q C -1.009 175.104 176.000 0.187 0.000 0.948 203 Q CA -0.650 55.227 55.803 0.124 0.000 0.895 203 Q CB 1.097 29.855 28.738 0.033 0.000 1.218 203 Q HN 0.651 nan 8.270 nan 0.000 0.470 204 Y N -1.477 118.820 120.300 -0.004 0.000 2.592 204 Y HA 0.704 5.251 4.550 -0.005 0.000 0.334 204 Y C -1.534 174.270 175.900 -0.159 0.000 1.136 204 Y CA -1.708 56.255 58.100 -0.228 0.000 1.042 204 Y CB 0.966 39.017 38.460 -0.682 0.000 1.325 204 Y HN 0.735 nan 8.280 nan 0.000 0.457 205 F N -0.472 119.406 119.950 -0.120 0.000 2.706 205 F HA 0.896 5.420 4.527 -0.005 0.000 0.328 205 F C -2.035 173.653 175.800 -0.186 0.000 1.123 205 F CA -2.154 55.793 58.000 -0.088 0.000 0.978 205 F CB 1.316 40.346 39.000 0.050 0.000 1.404 205 F HN 0.425 nan 8.300 nan 0.000 0.497 206 Y N 0.862 121.426 120.300 0.441 0.000 2.524 206 Y HA 0.770 5.317 4.550 -0.005 0.000 0.344 206 Y C -0.360 175.896 175.900 0.593 0.000 1.012 206 Y CA -1.280 57.009 58.100 0.315 0.000 1.068 206 Y CB 2.220 40.703 38.460 0.038 0.000 1.249 206 Y HN 0.458 nan 8.280 nan 0.000 0.468 207 M N 2.957 122.971 119.600 0.689 0.000 2.326 207 M HA 0.298 4.775 4.480 -0.005 0.000 0.292 207 M C -1.230 175.446 176.300 0.626 0.000 1.081 207 M CA -1.007 54.706 55.300 0.690 0.000 0.919 207 M CB 1.948 34.907 32.600 0.599 0.000 1.634 207 M HN 0.675 nan 8.290 nan 0.000 0.451 208 N N 3.509 122.528 118.700 0.532 0.000 2.414 208 N HA -0.048 4.689 4.740 -0.005 0.000 0.268 208 N C 0.202 175.670 175.510 -0.070 0.000 1.286 208 N CA 0.254 53.254 53.050 -0.084 0.000 0.896 208 N CB 1.195 39.598 38.487 -0.141 0.000 1.093 208 N HN 0.779 nan 8.380 nan 0.000 0.480 209 K N 2.964 123.184 120.400 -0.300 0.000 1.991 209 K HA -0.252 4.065 4.320 -0.005 0.000 0.212 209 K C 0.981 177.547 176.600 -0.057 0.000 1.049 209 K CA 1.879 57.987 56.287 -0.298 0.000 0.932 209 K CB -0.004 32.138 32.500 -0.597 0.000 0.717 209 K HN 0.509 nan 8.250 nan 0.000 0.441 210 E N 0.661 120.785 120.200 -0.128 0.000 2.233 210 E HA -0.224 4.123 4.350 -0.005 0.000 0.199 210 E C 1.836 178.441 176.600 0.009 0.000 1.004 210 E CA 1.716 58.081 56.400 -0.059 0.000 0.819 210 E CB -0.028 29.617 29.700 -0.092 0.000 0.738 210 E HN 0.459 nan 8.360 nan 0.000 0.478 211 E N 0.021 120.241 120.200 0.033 0.000 2.011 211 E HA -0.083 4.264 4.350 -0.005 0.000 0.191 211 E C 2.240 178.917 176.600 0.129 0.000 0.980 211 E CA 1.028 57.474 56.400 0.077 0.000 0.814 211 E CB -0.071 29.685 29.700 0.092 0.000 0.775 211 E HN 0.064 nan 8.360 nan 0.000 0.454 212 V N 2.106 122.132 119.914 0.186 0.000 2.252 212 V HA -0.282 3.835 4.120 -0.005 0.000 0.249 212 V C 2.103 178.314 176.094 0.196 0.000 1.056 212 V CA 2.198 64.625 62.300 0.211 0.000 1.022 212 V CB -0.575 31.444 31.823 0.326 0.000 0.641 212 V HN 0.280 nan 8.190 nan 0.000 0.445 213 D N -0.589 119.979 120.400 0.280 0.000 2.220 213 D HA -0.167 4.470 4.640 -0.005 0.000 0.198 213 D C 1.810 178.190 176.300 0.133 0.000 1.001 213 D CA 1.443 55.588 54.000 0.242 0.000 0.875 213 D CB 0.087 41.018 40.800 0.218 0.000 0.921 213 D HN 0.628 nan 8.370 nan 0.000 0.454 214 R N -2.389 118.181 120.500 0.116 0.000 2.845 214 R HA 0.213 4.550 4.340 -0.005 0.000 0.112 214 R C 1.453 177.834 176.300 0.133 0.000 1.012 214 R CA -0.266 55.894 56.100 0.101 0.000 0.744 214 R CB -0.327 30.026 30.300 0.089 0.000 0.926 214 R HN 0.079 nan 8.270 nan 0.000 0.376 215 H N 0.311 119.390 119.070 0.014 0.000 1.461 215 H HA -0.260 4.293 4.556 -0.005 0.000 0.092 215 H C 1.855 177.178 175.328 -0.009 0.000 1.229 215 H CA 2.680 58.729 56.048 0.002 0.000 1.897 215 H CB -0.234 29.528 29.762 0.000 0.000 2.253 215 H HN 0.289 nan 8.280 nan 0.000 0.959 216 L N 0.378 121.621 121.223 0.033 0.000 2.046 216 L HA -0.147 4.190 4.340 -0.005 0.000 0.208 216 L C 1.676 178.508 176.870 -0.064 0.000 1.077 216 L CA 1.857 56.655 54.840 -0.069 0.000 0.747 216 L CB -0.582 41.433 42.059 -0.074 0.000 0.896 216 L HN 0.548 nan 8.230 nan 0.000 0.432 217 Q N -3.110 116.683 119.800 -0.012 0.000 3.011 217 Q HA 0.298 4.635 4.340 -0.005 0.000 0.223 217 Q C -0.820 175.193 176.000 0.021 0.000 1.127 217 Q CA -0.511 55.288 55.803 -0.006 0.000 0.412 217 Q CB 1.820 30.558 28.738 -0.001 0.000 5.323 217 Q HN 0.141 nan 8.270 nan 0.000 0.286 218 C N 0.880 120.200 119.300 0.034 0.000 2.782 218 C HA 0.502 4.959 4.460 -0.005 0.000 0.328 218 C C -0.946 174.078 174.990 0.057 0.000 1.145 218 C CA -0.621 58.417 59.018 0.033 0.000 1.358 218 C CB 1.803 29.550 27.740 0.012 0.000 1.841 218 C HN 0.463 nan 8.230 nan 0.000 0.477 219 R N 2.215 122.754 120.500 0.066 0.000 2.370 219 R HA 0.627 4.964 4.340 -0.005 0.000 0.309 219 R C -0.062 176.277 176.300 0.065 0.000 1.059 219 R CA 1.177 57.328 56.100 0.085 0.000 0.981 219 R CB -0.113 30.225 30.300 0.063 0.000 0.972 219 R HN 1.504 nan 8.270 nan 0.000 0.437 220 A N 5.377 128.252 122.820 0.092 0.000 2.430 220 A HA 0.017 4.334 4.320 -0.005 0.000 0.684 220 A C -2.381 175.229 177.584 0.044 0.000 0.139 220 A CA -0.446 51.632 52.037 0.067 0.000 0.038 220 A CB -0.904 18.118 19.000 0.037 0.000 3.964 220 A HN 0.588 nan 8.150 nan 0.000 0.547 221 P HA 0.008 nan 4.420 nan 0.000 0.222 221 P C 1.211 178.501 177.300 -0.016 0.000 1.157 221 P CA 0.818 63.935 63.100 0.027 0.000 0.816 221 P CB 0.155 31.913 31.700 0.095 0.000 0.813 222 R N 0.310 120.814 120.500 0.007 0.000 2.276 222 R HA -0.023 4.314 4.340 -0.005 0.000 0.203 222 R C 1.789 178.082 176.300 -0.010 0.000 1.017 222 R CA 0.861 56.964 56.100 0.005 0.000 1.010 222 R CB -1.516 28.793 30.300 0.016 0.000 0.900 222 R HN 0.027 nan 8.270 nan 0.000 0.469 223 D N -0.324 120.063 120.400 -0.021 0.000 2.120 223 D HA -0.100 4.537 4.640 -0.005 0.000 0.202 223 D C 1.839 178.109 176.300 -0.051 0.000 0.972 223 D CA 0.667 54.653 54.000 -0.024 0.000 0.837 223 D CB -0.023 40.769 40.800 -0.013 0.000 0.989 223 D HN 0.185 nan 8.370 nan 0.000 0.469 224 L N 0.390 121.547 121.223 -0.109 0.000 2.043 224 L HA -0.264 4.073 4.340 -0.005 0.000 0.212 224 L C 2.408 179.166 176.870 -0.186 0.000 1.075 224 L CA 1.376 56.116 54.840 -0.166 0.000 0.752 224 L CB -0.222 41.620 42.059 -0.362 0.000 0.891 224 L HN 0.209 nan 8.230 nan 0.000 0.432 225 C N -0.482 118.721 119.300 -0.163 0.000 2.413 225 C HA -0.170 4.287 4.460 -0.005 0.000 0.276 225 C C 2.544 177.467 174.990 -0.111 0.000 1.248 225 C CA 0.855 59.776 59.018 -0.162 0.000 1.742 225 C CB -0.858 26.906 27.740 0.039 0.000 2.017 225 C HN 0.529 nan 8.230 nan 0.000 0.481 226 E N 0.539 120.714 120.200 -0.041 0.000 2.208 226 E HA -0.084 4.263 4.350 -0.005 0.000 0.193 226 E C 2.428 179.030 176.600 0.002 0.000 0.988 226 E CA 0.816 57.215 56.400 -0.002 0.000 0.828 226 E CB -0.057 29.646 29.700 0.006 0.000 0.763 226 E HN 0.389 nan 8.360 nan 0.000 0.478 227 R N -0.294 120.205 120.500 -0.001 0.000 2.062 227 R HA -0.038 4.300 4.340 -0.005 0.000 0.231 227 R C 2.328 178.679 176.300 0.084 0.000 1.136 227 R CA 1.549 57.700 56.100 0.084 0.000 0.948 227 R CB -0.835 29.578 30.300 0.187 0.000 0.845 227 R HN 0.354 nan 8.270 nan 0.000 0.430 228 M N 0.339 119.847 119.600 -0.153 0.000 2.213 228 M HA -0.075 4.402 4.480 -0.005 0.000 0.263 228 M C 2.382 178.596 176.300 -0.143 0.000 1.062 228 M CA 1.687 56.730 55.300 -0.428 0.000 1.105 228 M CB -0.439 31.469 32.600 -1.153 0.000 1.385 228 M HN 0.155 nan 8.290 nan 0.000 0.417 229 A N 0.884 123.706 122.820 0.003 0.000 1.828 229 A HA -0.087 4.230 4.320 -0.005 0.000 0.215 229 A C 2.441 180.107 177.584 0.137 0.000 1.203 229 A CA 2.142 54.314 52.037 0.226 0.000 0.614 229 A CB -1.265 17.846 19.000 0.184 0.000 0.844 229 A HN 0.460 nan 8.150 nan 0.000 0.445 230 A N -0.270 122.604 122.820 0.090 0.000 1.892 230 A HA 0.066 4.383 4.320 -0.005 0.000 0.218 230 A C 2.542 180.184 177.584 0.098 0.000 1.188 230 A CA 2.654 54.739 52.037 0.081 0.000 0.631 230 A CB -1.256 17.782 19.000 0.062 0.000 0.822 230 A HN 1.301 nan 8.150 nan 0.000 0.447 231 A N -0.797 122.097 122.820 0.124 0.000 1.948 231 A HA -0.140 4.177 4.320 -0.005 0.000 0.220 231 A C 2.230 179.903 177.584 0.148 0.000 1.177 231 A CA 1.773 53.909 52.037 0.165 0.000 0.636 231 A CB -0.568 18.621 19.000 0.315 0.000 0.815 231 A HN 0.556 nan 8.150 nan 0.000 0.449 232 L N -1.232 120.077 121.223 0.144 0.000 2.023 232 L HA -0.001 4.336 4.340 -0.005 0.000 0.205 232 L C 1.696 178.638 176.870 0.119 0.000 1.073 232 L CA 0.668 55.599 54.840 0.152 0.000 0.745 232 L CB -0.112 42.067 42.059 0.200 0.000 0.900 232 L HN 0.199 nan 8.230 nan 0.000 0.435 233 R N 1.628 122.192 120.500 0.107 0.000 3.152 233 R HA -0.026 4.311 4.340 -0.005 0.000 0.209 233 R C -0.629 175.707 176.300 0.061 0.000 1.649 233 R CA 0.569 56.718 56.100 0.080 0.000 1.185 233 R CB -0.849 29.496 30.300 0.074 0.000 1.258 233 R HN 0.573 nan 8.270 nan 0.000 0.656 234 E N -0.487 119.745 120.200 0.054 0.000 3.733 234 E HA 0.082 4.429 4.350 -0.005 0.000 0.172 234 E C -0.639 175.977 176.600 0.026 0.000 1.032 234 E CA -0.347 56.075 56.400 0.037 0.000 1.532 234 E CB -0.423 29.301 29.700 0.040 0.000 1.149 234 E HN 0.082 nan 8.360 nan 0.000 0.373 242 G N 2.717 111.552 108.800 0.059 0.000 2.396 242 G HA2 0.597 4.554 3.960 -0.005 0.000 0.292 242 G HA3 0.597 4.554 3.960 -0.005 0.000 0.292 242 G C -0.057 174.890 174.900 0.078 0.000 1.106 242 G CA 0.106 45.240 45.100 0.057 0.000 1.055 242 G HN 0.267 nan 8.290 nan 0.000 0.424 243 I N 0.470 121.099 120.570 0.098 0.000 7.408 243 I HA -0.186 3.981 4.170 -0.005 0.000 0.310 243 I C -0.066 176.154 176.117 0.171 0.000 1.874 243 I CA -0.200 61.169 61.300 0.115 0.000 2.007 243 I CB -0.754 37.316 38.000 0.117 0.000 3.642 243 I HN 0.722 nan 8.210 nan 0.000 0.217 244 S N 1.646 117.347 115.700 0.002 0.000 2.680 244 S HA 0.948 5.415 4.470 -0.005 0.000 0.276 244 S C 0.048 174.400 174.600 -0.413 0.000 1.189 244 S CA 0.505 58.563 58.200 -0.236 0.000 0.909 244 S CB 1.584 64.853 63.200 0.115 0.000 1.227 244 S HN 2.202 nan 8.310 nan 0.000 0.501 245 A N 1.019 123.696 122.820 -0.238 0.000 3.276 245 A HA -0.080 4.238 4.320 -0.005 0.000 0.229 245 A C 0.349 177.900 177.584 -0.055 0.000 1.298 245 A CA 0.702 52.696 52.037 -0.072 0.000 1.157 245 A CB -1.764 17.173 19.000 -0.105 0.000 0.961 245 A HN 0.649 nan 8.150 nan 0.000 0.467 246 D N 0.670 120.956 120.400 -0.189 0.000 2.378 246 D HA 0.047 4.684 4.640 -0.005 0.000 0.227 246 D C 1.103 177.434 176.300 0.052 0.000 1.012 246 D CA 1.085 55.066 54.000 -0.030 0.000 0.905 246 D CB -0.413 40.396 40.800 0.015 0.000 0.895 246 D HN 0.820 nan 8.370 nan 0.000 0.532 247 H N -1.553 117.461 119.070 -0.094 0.000 2.551 247 H HA 0.085 4.638 4.556 -0.005 0.000 0.266 247 H C 0.413 175.482 175.328 -0.432 0.000 0.977 247 H CA -0.235 55.640 56.048 -0.289 0.000 1.163 247 H CB 0.349 29.868 29.762 -0.405 0.000 1.381 247 H HN 0.042 nan 8.280 nan 0.000 0.581 248 F N 0.331 120.345 119.950 0.107 0.000 2.535 248 F HA 0.376 4.900 4.527 -0.005 0.000 0.367 248 F C 0.192 176.025 175.800 0.054 0.000 1.096 248 F CA -1.002 57.038 58.000 0.066 0.000 1.088 248 F CB 1.381 40.386 39.000 0.008 0.000 1.387 248 F HN -0.059 nan 8.300 nan 0.000 0.494 249 E N 0.114 120.490 120.200 0.293 0.000 2.422 249 E HA 0.629 4.976 4.350 -0.005 0.000 0.289 249 E C -2.147 174.569 176.600 0.192 0.000 0.985 249 E CA -0.786 55.727 56.400 0.188 0.000 0.812 249 E CB 1.768 31.538 29.700 0.117 0.000 1.226 249 E HN 0.761 nan 8.360 nan 0.000 0.419 250 A N 3.936 126.832 122.820 0.126 0.000 2.335 250 A HA 0.566 4.883 4.320 -0.005 0.000 0.304 250 A C -0.923 176.759 177.584 0.163 0.000 1.118 250 A CA -0.638 51.465 52.037 0.110 0.000 0.757 250 A CB 1.122 20.132 19.000 0.017 0.000 1.188 250 A HN 0.616 nan 8.150 nan 0.000 0.460 251 E N 1.004 121.312 120.200 0.180 0.000 2.214 251 E HA 0.497 4.844 4.350 -0.005 0.000 0.274 251 E C -0.719 175.997 176.600 0.192 0.000 0.977 251 E CA -0.864 55.635 56.400 0.165 0.000 0.827 251 E CB 2.123 31.908 29.700 0.142 0.000 1.130 251 E HN 0.392 nan 8.360 nan 0.000 0.394 252 V N 2.764 122.765 119.914 0.145 0.000 2.530 252 V HA 0.236 4.353 4.120 -0.005 0.000 0.282 252 V C -0.033 176.092 176.094 0.053 0.000 1.048 252 V CA -0.251 62.069 62.300 0.034 0.000 0.997 252 V CB 1.179 32.973 31.823 -0.049 0.000 0.987 252 V HN 0.384 nan 8.190 nan 0.000 0.477 253 V N 4.066 124.030 119.914 0.082 0.000 3.102 253 V HA 0.562 4.680 4.120 -0.005 0.000 0.312 253 V C -0.577 175.574 176.094 0.095 0.000 1.135 253 V CA -0.649 61.707 62.300 0.093 0.000 1.022 253 V CB 2.398 34.314 31.823 0.154 0.000 1.056 253 V HN 1.011 nan 8.190 nan 0.000 0.436 254 E N 3.620 123.854 120.200 0.057 0.000 2.166 254 E HA 0.697 5.044 4.350 -0.005 0.000 0.275 254 E C -0.740 175.878 176.600 0.030 0.000 0.941 254 E CA -0.540 55.899 56.400 0.065 0.000 0.784 254 E CB 1.311 31.012 29.700 0.002 0.000 1.115 254 E HN 0.637 nan 8.360 nan 0.000 0.399 255 R N 1.855 122.410 120.500 0.093 0.000 2.909 255 R HA 0.504 4.841 4.340 -0.005 0.000 0.262 255 R C -1.198 175.077 176.300 -0.043 0.000 1.095 255 R CA -0.928 55.087 56.100 -0.141 0.000 0.965 255 R CB 2.046 32.056 30.300 -0.483 0.000 1.300 255 R HN 0.481 nan 8.270 nan 0.000 0.442 256 T N 0.306 114.740 114.554 -0.199 0.000 2.916 256 T HA 0.123 4.470 4.350 -0.005 0.000 0.298 256 T C -1.289 173.440 174.700 0.048 0.000 1.031 256 T CA -0.707 61.376 62.100 -0.028 0.000 0.993 256 T CB 1.870 70.692 68.868 -0.077 0.000 1.045 256 T HN 0.413 nan 8.240 nan 0.000 0.454 257 D N 2.201 122.683 120.400 0.136 0.000 2.458 257 D HA 0.005 4.642 4.640 -0.005 0.000 0.243 257 D C 1.673 178.155 176.300 0.304 0.000 1.146 257 D CA -0.088 54.055 54.000 0.238 0.000 0.877 257 D CB 1.265 42.281 40.800 0.359 0.000 1.176 257 D HN 0.351 nan 8.370 nan 0.000 0.461 258 V N 3.437 123.433 119.914 0.137 0.000 2.720 258 V HA -0.163 3.954 4.120 -0.005 0.000 0.256 258 V C 0.838 176.792 176.094 -0.232 0.000 1.082 258 V CA 0.800 62.937 62.300 -0.272 0.000 1.101 258 V CB -1.408 30.064 31.823 -0.584 0.000 0.693 258 V HN 0.401 nan 8.190 nan 0.000 0.479 259 Y N 0.832 121.061 120.300 -0.119 0.000 2.402 259 Y HA 0.497 5.044 4.550 -0.005 0.000 0.333 259 Y C -0.042 175.730 175.900 -0.213 0.000 1.076 259 Y CA -0.433 57.470 58.100 -0.328 0.000 1.299 259 Y CB -0.583 37.521 38.460 -0.593 0.000 1.197 259 Y HN 0.264 nan 8.280 nan 0.000 0.517 260 Y N 1.187 121.649 120.300 0.270 0.000 2.580 260 Y HA -0.351 4.196 4.550 -0.005 0.000 0.023 260 Y C 0.577 176.599 175.900 0.203 0.000 1.784 260 Y CA -0.337 57.885 58.100 0.203 0.000 1.367 260 Y CB -1.222 37.339 38.460 0.169 0.000 2.018 260 Y HN 0.701 nan 8.280 nan 0.000 0.264 261 Y N 2.015 122.455 120.300 0.234 0.000 2.139 261 Y HA -0.314 4.233 4.550 -0.005 0.000 0.282 261 Y C 1.770 177.755 175.900 0.143 0.000 1.179 261 Y CA 2.507 60.703 58.100 0.160 0.000 1.161 261 Y CB -0.109 38.409 38.460 0.097 0.000 0.970 261 Y HN 0.710 nan 8.280 nan 0.000 0.511 262 E N -0.589 119.618 120.200 0.012 0.000 2.219 262 E HA -0.133 4.214 4.350 -0.005 0.000 0.198 262 E C 0.827 177.380 176.600 -0.079 0.000 0.998 262 E CA 1.268 57.596 56.400 -0.120 0.000 0.818 262 E CB -0.508 29.170 29.700 -0.038 0.000 0.741 262 E HN 0.302 nan 8.360 nan 0.000 0.477 263 T N 1.734 116.325 114.554 0.061 0.000 2.926 263 T HA 0.272 4.620 4.350 -0.005 0.000 0.307 263 T C 0.013 174.732 174.700 0.032 0.000 1.059 263 T CA -0.370 61.789 62.100 0.099 0.000 1.122 263 T CB 0.583 69.576 68.868 0.209 0.000 0.972 263 T HN 0.026 nan 8.240 nan 0.000 0.545 264 R N 1.716 122.233 120.500 0.027 0.000 2.599 264 R HA 0.542 4.879 4.340 -0.005 0.000 0.295 264 R C -3.104 173.205 176.300 0.016 0.000 0.963 264 R CA -2.742 53.353 56.100 -0.009 0.000 0.883 264 R CB -0.873 29.407 30.300 -0.033 0.000 1.171 264 R HN 0.286 nan 8.270 nan 0.000 0.450 265 P HA 0.033 nan 4.420 nan 0.000 0.257 265 P C -0.838 176.455 177.300 -0.011 0.000 1.162 265 P CA 0.536 63.644 63.100 0.012 0.000 0.762 265 P CB 0.427 32.109 31.700 -0.030 0.000 0.753 266 A N 4.140 126.956 122.820 -0.007 0.000 2.282 266 A HA 0.673 4.991 4.320 -0.005 0.000 0.324 266 A C -0.560 176.820 177.584 -0.341 0.000 1.119 266 A CA -0.801 51.092 52.037 -0.239 0.000 0.880 266 A CB 0.845 19.595 19.000 -0.418 0.000 1.294 266 A HN 0.456 nan 8.150 nan 0.000 0.493 267 L N 0.523 121.470 121.223 -0.461 0.000 2.307 267 L HA 0.514 4.851 4.340 -0.005 0.000 0.282 267 L C -1.315 175.177 176.870 -0.630 0.000 1.051 267 L CA -0.010 54.617 54.840 -0.355 0.000 0.804 267 L CB 0.795 42.697 42.059 -0.261 0.000 1.197 267 L HN 0.637 nan 8.230 nan 0.000 0.431 268 F N 0.745 120.596 119.950 -0.165 0.000 2.577 268 F HA 0.418 4.942 4.527 -0.005 0.000 0.318 268 F C -0.368 175.350 175.800 -0.138 0.000 1.065 268 F CA -0.771 57.164 58.000 -0.110 0.000 0.929 268 F CB 1.269 40.273 39.000 0.006 0.000 1.237 268 F HN 0.165 nan 8.300 nan 0.000 0.468 269 Y N 1.470 121.929 120.300 0.265 0.000 2.359 269 Y HA 0.307 4.854 4.550 -0.005 0.000 0.334 269 Y C 0.609 176.556 175.900 0.078 0.000 1.058 269 Y CA -0.362 57.820 58.100 0.137 0.000 1.244 269 Y CB 0.641 39.143 38.460 0.071 0.000 1.187 269 Y HN 0.336 nan 8.280 nan 0.000 0.510 270 R N 3.343 123.896 120.500 0.088 0.000 2.202 270 R HA 0.422 4.759 4.340 -0.005 0.000 0.334 270 R C -1.613 174.461 176.300 -0.376 0.000 1.036 270 R CA -0.337 55.545 56.100 -0.362 0.000 0.878 270 R CB 0.501 30.549 30.300 -0.419 0.000 1.067 270 R HN 0.531 nan 8.270 nan 0.000 0.457 271 V N 6.951 126.516 119.914 -0.582 0.000 2.293 271 V HA 0.220 4.337 4.120 -0.005 0.000 0.275 271 V C -0.780 175.092 176.094 -0.369 0.000 1.021 271 V CA -0.706 61.316 62.300 -0.464 0.000 0.815 271 V CB 0.657 32.034 31.823 -0.744 0.000 1.025 271 V HN 0.624 nan 8.190 nan 0.000 0.448 272 Y N 3.423 123.680 120.300 -0.071 0.000 2.346 272 Y HA 0.493 5.040 4.550 -0.005 0.000 0.330 272 Y C 0.450 176.427 175.900 0.128 0.000 1.178 272 Y CA -0.071 58.066 58.100 0.061 0.000 1.331 272 Y CB 1.002 39.489 38.460 0.045 0.000 1.253 272 Y HN 0.327 nan 8.280 nan 0.000 0.529 273 V N 3.786 123.881 119.914 0.301 0.000 3.001 273 V HA 0.456 4.573 4.120 -0.005 0.000 0.314 273 V C 0.203 176.378 176.094 0.135 0.000 1.099 273 V CA -1.275 61.160 62.300 0.224 0.000 0.989 273 V CB 2.334 34.317 31.823 0.268 0.000 1.040 273 V HN 0.719 nan 8.190 nan 0.000 0.434 274 R N 1.648 122.164 120.500 0.027 0.000 2.633 274 R HA 0.439 4.776 4.340 -0.005 0.000 0.348 274 R C -0.127 176.162 176.300 -0.017 0.000 1.100 274 R CA 0.174 56.275 56.100 0.002 0.000 1.068 274 R CB 0.881 31.146 30.300 -0.059 0.000 1.351 274 R HN 0.623 nan 8.270 nan 0.000 0.575 275 S N -2.006 113.702 115.700 0.013 0.000 2.720 275 S HA 0.111 4.578 4.470 -0.005 0.000 0.318 275 S C 0.383 174.997 174.600 0.022 0.000 0.872 275 S CA -0.161 58.039 58.200 -0.000 0.000 0.794 275 S CB 0.437 63.627 63.200 -0.017 0.000 1.009 275 S HN 0.259 nan 8.310 nan 0.000 0.491 276 G N 3.299 112.100 108.800 0.002 0.000 2.623 276 G HA2 -0.026 3.931 3.960 -0.005 0.000 0.214 276 G HA3 -0.026 3.931 3.960 -0.005 0.000 0.214 276 G C 1.147 175.996 174.900 -0.085 0.000 1.138 276 G CA 0.617 45.701 45.100 -0.026 0.000 0.794 276 G HN 0.805 nan 8.290 nan 0.000 0.535 277 R N 0.229 120.707 120.500 -0.036 0.000 2.113 277 R HA -0.118 4.219 4.340 -0.005 0.000 0.231 277 R C 2.504 178.785 176.300 -0.032 0.000 1.129 277 R CA 2.086 58.177 56.100 -0.014 0.000 0.915 277 R CB -0.745 29.625 30.300 0.117 0.000 0.837 277 R HN 0.149 nan 8.270 nan 0.000 0.430 278 V N 1.549 121.510 119.914 0.079 0.000 2.250 278 V HA -0.314 3.803 4.120 -0.005 0.000 0.253 278 V C 2.451 178.598 176.094 0.088 0.000 1.065 278 V CA 2.145 64.529 62.300 0.140 0.000 1.039 278 V CB -0.646 31.270 31.823 0.154 0.000 0.647 278 V HN 0.423 nan 8.190 nan 0.000 0.446 279 L N 0.788 122.035 121.223 0.040 0.000 2.042 279 L HA -0.171 4.166 4.340 -0.005 0.000 0.210 279 L C 2.697 179.491 176.870 -0.127 0.000 1.076 279 L CA 2.535 57.391 54.840 0.027 0.000 0.749 279 L CB -0.615 41.470 42.059 0.044 0.000 0.893 279 L HN 0.561 nan 8.230 nan 0.000 0.432 280 S N -1.870 113.649 115.700 -0.301 0.000 2.406 280 S HA -0.178 4.289 4.470 -0.005 0.000 0.228 280 S C 1.813 176.192 174.600 -0.369 0.000 1.020 280 S CA 1.106 59.042 58.200 -0.439 0.000 0.965 280 S CB -0.918 61.881 63.200 -0.669 0.000 0.798 280 S HN 0.598 nan 8.310 nan 0.000 0.488 281 Y N 0.692 121.006 120.300 0.023 0.000 2.466 281 Y HA 0.448 4.995 4.550 -0.005 0.000 0.272 281 Y C 1.916 177.843 175.900 0.044 0.000 1.169 281 Y CA -0.420 57.699 58.100 0.031 0.000 1.285 281 Y CB -0.050 38.437 38.460 0.044 0.000 1.078 281 Y HN 0.202 nan 8.280 nan 0.000 0.523 282 L N -1.422 119.860 121.223 0.099 0.000 2.162 282 L HA -0.163 4.174 4.340 -0.005 0.000 0.205 282 L C 1.892 178.774 176.870 0.020 0.000 1.086 282 L CA 0.589 55.469 54.840 0.066 0.000 0.778 282 L CB -0.243 41.821 42.059 0.009 0.000 0.928 282 L HN 0.371 nan 8.230 nan 0.000 0.446 283 C N -0.113 119.131 119.300 -0.094 0.000 2.432 283 C HA -0.108 4.349 4.460 -0.005 0.000 0.280 283 C C 1.712 176.687 174.990 -0.024 0.000 1.353 283 C CA 0.540 59.478 59.018 -0.134 0.000 1.766 283 C CB -0.691 26.931 27.740 -0.196 0.000 1.924 283 C HN 0.516 nan 8.230 nan 0.000 0.509 284 D N 0.088 120.510 120.400 0.037 0.000 2.398 284 D HA 0.070 4.707 4.640 -0.005 0.000 0.210 284 D C 1.011 177.360 176.300 0.083 0.000 1.094 284 D CA 0.418 54.454 54.000 0.061 0.000 0.839 284 D CB -0.162 40.699 40.800 0.101 0.000 0.963 284 D HN 0.566 nan 8.370 nan 0.000 0.506 285 N N -0.802 117.967 118.700 0.115 0.000 2.113 285 N HA -0.033 4.704 4.740 -0.005 0.000 0.236 285 N C 1.120 176.721 175.510 0.152 0.000 1.263 285 N CA -0.265 52.855 53.050 0.117 0.000 0.831 285 N CB -0.136 38.427 38.487 0.127 0.000 1.259 285 N HN -0.034 nan 8.380 nan 0.000 0.469 286 F N 2.028 121.992 119.950 0.022 0.000 2.186 286 F HA 0.165 4.689 4.527 -0.005 0.000 0.299 286 F C 0.358 176.173 175.800 0.025 0.000 1.090 286 F CA 0.320 58.334 58.000 0.024 0.000 1.307 286 F CB 0.212 39.230 39.000 0.029 0.000 1.019 286 F HN -0.065 nan 8.300 nan 0.000 0.489 287 C N 0.965 120.267 119.300 0.004 0.000 2.455 287 C HA 0.360 4.818 4.460 -0.005 0.000 0.320 287 C C -0.749 174.219 174.990 -0.037 0.000 1.226 287 C CA -1.107 57.856 59.018 -0.092 0.000 1.569 287 C CB 1.271 28.993 27.740 -0.030 0.000 2.200 287 C HN 0.218 nan 8.230 nan 0.000 0.491 288 P HA -0.039 nan 4.420 nan 0.000 0.205 288 P C 0.456 177.753 177.300 -0.004 0.000 1.193 288 P CA 1.398 64.485 63.100 -0.022 0.000 0.929 288 P CB 0.185 31.872 31.700 -0.022 0.000 0.772 289 A N -1.804 121.020 122.820 0.007 0.000 2.701 289 A HA 0.354 4.671 4.320 -0.005 0.000 0.297 289 A C -0.022 177.588 177.584 0.044 0.000 1.197 289 A CA -0.227 51.823 52.037 0.022 0.000 0.963 289 A CB -0.825 18.189 19.000 0.024 0.000 1.175 289 A HN 0.045 nan 8.150 nan 0.000 0.531 290 I N 0.466 121.072 120.570 0.060 0.000 2.359 290 I HA 0.238 4.405 4.170 -0.005 0.000 0.294 290 I C 0.440 176.627 176.117 0.116 0.000 0.987 290 I CA -0.354 61.014 61.300 0.113 0.000 1.225 290 I CB 1.395 39.492 38.000 0.162 0.000 1.366 290 I HN 0.096 nan 8.210 nan 0.000 0.466 291 K N 6.211 126.690 120.400 0.133 0.000 2.448 291 K HA 0.179 4.496 4.320 -0.005 0.000 0.278 291 K C -0.363 176.323 176.600 0.142 0.000 1.009 291 K CA -0.110 56.211 56.287 0.057 0.000 0.995 291 K CB 0.492 33.009 32.500 0.028 0.000 0.917 291 K HN 0.515 nan 8.250 nan 0.000 0.481 292 K N 3.154 123.555 120.400 0.002 0.000 2.358 292 K HA 0.241 4.558 4.320 -0.005 0.000 0.260 292 K C -1.239 175.379 176.600 0.030 0.000 0.956 292 K CA -0.764 55.589 56.287 0.110 0.000 0.834 292 K CB 1.111 33.574 32.500 -0.062 0.000 1.102 292 K HN 0.294 nan 8.250 nan 0.000 0.431 293 Y N 1.371 121.837 120.300 0.278 0.000 2.328 293 Y HA 0.122 4.669 4.550 -0.005 0.000 0.337 293 Y C 0.305 176.401 175.900 0.327 0.000 1.008 293 Y CA -0.298 57.957 58.100 0.258 0.000 1.129 293 Y CB 1.473 40.063 38.460 0.217 0.000 1.185 293 Y HN 0.830 nan 8.280 nan 0.000 0.476 294 E N 0.386 120.800 120.200 0.356 0.000 2.971 294 E HA -0.258 4.089 4.350 -0.005 0.000 0.278 294 E C 1.425 178.150 176.600 0.209 0.000 1.009 294 E CA 0.445 57.025 56.400 0.301 0.000 0.862 294 E CB -1.214 28.689 29.700 0.338 0.000 1.436 294 E HN 1.095 nan 8.360 nan 0.000 0.434 295 G N 0.585 109.471 108.800 0.144 0.000 2.432 295 G HA2 -0.117 3.840 3.960 -0.005 0.000 0.219 295 G HA3 -0.117 3.840 3.960 -0.005 0.000 0.219 295 G C 1.091 175.981 174.900 -0.017 0.000 1.135 295 G CA 0.692 45.792 45.100 0.001 0.000 0.767 295 G HN 0.365 nan 8.290 nan 0.000 0.550 296 G N -0.158 108.638 108.800 -0.008 0.000 3.882 296 G HA2 0.423 4.380 3.960 -0.005 0.000 0.283 296 G HA3 0.423 4.380 3.960 -0.005 0.000 0.283 296 G C -0.798 174.099 174.900 -0.005 0.000 1.283 296 G CA -0.207 44.868 45.100 -0.042 0.000 1.402 296 G HN 0.183 nan 8.290 nan 0.000 0.618 297 V N 2.491 122.427 119.914 0.038 0.000 2.350 297 V HA 0.208 4.325 4.120 -0.005 0.000 0.285 297 V C -0.298 175.807 176.094 0.018 0.000 1.014 297 V CA -1.165 61.179 62.300 0.074 0.000 0.831 297 V CB 1.381 33.267 31.823 0.104 0.000 1.000 297 V HN 0.603 nan 8.190 nan 0.000 0.433 298 D N 4.700 125.122 120.400 0.037 0.000 2.384 298 D HA 0.228 4.866 4.640 -0.005 0.000 0.244 298 D C 1.202 177.527 176.300 0.042 0.000 1.251 298 D CA 0.124 54.140 54.000 0.027 0.000 0.961 298 D CB 1.613 42.431 40.800 0.029 0.000 1.116 298 D HN 0.400 nan 8.370 nan 0.000 0.484 299 A N 0.566 123.412 122.820 0.043 0.000 1.930 299 A HA -0.126 4.191 4.320 -0.005 0.000 0.217 299 A C 2.186 179.845 177.584 0.125 0.000 1.175 299 A CA 1.894 53.977 52.037 0.076 0.000 0.627 299 A CB -1.085 17.946 19.000 0.051 0.000 0.815 299 A HN 0.695 nan 8.150 nan 0.000 0.443 300 T N 0.141 114.753 114.554 0.096 0.000 2.684 300 T HA -0.151 4.197 4.350 -0.005 0.000 0.267 300 T C 2.005 176.856 174.700 0.252 0.000 1.036 300 T CA 2.110 64.302 62.100 0.154 0.000 1.148 300 T CB -0.579 68.348 68.868 0.099 0.000 0.863 300 T HN 0.596 nan 8.240 nan 0.000 0.436 301 T N 2.165 116.824 114.554 0.175 0.000 2.746 301 T HA -0.070 4.278 4.350 -0.005 0.000 0.267 301 T C 2.192 176.989 174.700 0.162 0.000 1.039 301 T CA 0.728 62.929 62.100 0.168 0.000 1.142 301 T CB -0.118 68.837 68.868 0.146 0.000 0.866 301 T HN 0.183 nan 8.240 nan 0.000 0.444 302 R N 0.796 121.385 120.500 0.149 0.000 2.083 302 R HA -0.016 4.321 4.340 -0.005 0.000 0.237 302 R C 2.128 178.552 176.300 0.208 0.000 1.137 302 R CA 1.150 57.347 56.100 0.161 0.000 0.951 302 R CB -1.369 29.027 30.300 0.161 0.000 0.851 302 R HN 0.496 nan 8.270 nan 0.000 0.434 303 F N 1.154 121.171 119.950 0.111 0.000 2.095 303 F HA -0.197 4.327 4.527 -0.005 0.000 0.298 303 F C 2.064 177.949 175.800 0.140 0.000 1.104 303 F CA 1.310 59.387 58.000 0.128 0.000 1.232 303 F CB -0.287 38.798 39.000 0.142 0.000 0.987 303 F HN -0.138 nan 8.300 nan 0.000 0.475 304 I N -0.246 120.399 120.570 0.125 0.000 2.202 304 I HA -0.240 3.927 4.170 -0.005 0.000 0.242 304 I C 2.111 178.199 176.117 -0.048 0.000 1.091 304 I CA 0.948 62.265 61.300 0.028 0.000 1.368 304 I CB -0.689 37.424 38.000 0.189 0.000 1.058 304 I HN 0.116 nan 8.210 nan 0.000 0.410 305 L N 0.022 121.254 121.223 0.015 0.000 2.093 305 L HA -0.185 4.152 4.340 -0.005 0.000 0.208 305 L C 1.486 178.326 176.870 -0.050 0.000 1.085 305 L CA 1.750 56.590 54.840 -0.000 0.000 0.755 305 L CB -0.859 41.223 42.059 0.039 0.000 0.904 305 L HN 0.257 nan 8.230 nan 0.000 0.435 306 D N -0.835 119.528 120.400 -0.061 0.000 2.328 306 D HA 0.052 4.689 4.640 -0.005 0.000 0.226 306 D C 0.039 176.193 176.300 -0.244 0.000 1.066 306 D CA 0.265 54.220 54.000 -0.075 0.000 0.861 306 D CB -0.085 40.737 40.800 0.038 0.000 0.912 306 D HN 0.308 nan 8.370 nan 0.000 0.521 307 N N 2.128 120.558 118.700 -0.449 0.000 2.524 307 N HA 0.197 4.934 4.740 -0.005 0.000 0.261 307 N C -2.726 172.435 175.510 -0.582 0.000 0.998 307 N CA -1.183 51.382 53.050 -0.808 0.000 0.915 307 N CB 2.380 39.755 38.487 -1.854 0.000 1.187 307 N HN -0.120 nan 8.380 nan 0.000 0.507 308 P HA -0.007 nan 4.420 nan 0.000 0.262 308 P C 1.073 178.361 177.300 -0.021 0.000 1.182 308 P CA 0.909 63.935 63.100 -0.124 0.000 0.761 308 P CB 0.533 32.190 31.700 -0.070 0.000 0.795 309 G N 2.139 110.962 108.800 0.038 0.000 2.347 309 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.247 309 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.247 309 G C 0.192 175.212 174.900 0.200 0.000 1.037 309 G CA -0.350 44.813 45.100 0.106 0.000 0.622 309 G HN 0.384 nan 8.290 nan 0.000 0.521 310 F N 1.221 121.124 119.950 -0.078 0.000 2.626 310 F HA 0.451 4.976 4.527 -0.004 0.000 0.354 310 F C 1.180 176.981 175.800 0.002 0.000 1.168 310 F CA -0.238 57.730 58.000 -0.054 0.000 1.368 310 F CB 0.818 39.747 39.000 -0.118 0.000 1.092 310 F HN 0.635 nan 8.300 nan 0.000 0.612 311 V N -1.197 118.847 119.914 0.216 0.000 3.159 311 V HA 0.569 4.687 4.120 -0.005 0.000 0.308 311 V C 0.129 176.397 176.094 0.289 0.000 1.190 311 V CA -0.362 62.055 62.300 0.195 0.000 1.037 311 V CB 1.444 33.327 31.823 0.100 0.000 1.060 311 V HN 0.792 nan 8.190 nan 0.000 0.437 312 T N -1.891 112.816 114.554 0.255 0.000 3.107 312 T HA 0.414 4.761 4.350 -0.005 0.000 0.249 312 T C -0.239 174.620 174.700 0.266 0.000 1.096 312 T CA 0.438 62.686 62.100 0.246 0.000 1.012 312 T CB -0.670 68.325 68.868 0.212 0.000 0.977 312 T HN 1.075 nan 8.240 nan 0.000 0.527 313 F N 0.029 120.023 119.950 0.072 0.000 2.767 313 F HA 0.521 5.045 4.527 -0.005 0.000 0.341 313 F C -0.212 175.568 175.800 -0.034 0.000 1.192 313 F CA 0.103 58.120 58.000 0.029 0.000 1.127 313 F CB 0.834 39.905 39.000 0.117 0.000 1.388 313 F HN 0.429 nan 8.300 nan 0.000 0.574 314 G N 3.317 111.879 108.800 -0.397 0.000 2.368 314 G HA2 0.134 4.091 3.960 -0.005 0.000 0.302 314 G HA3 0.134 4.091 3.960 -0.005 0.000 0.302 314 G C -2.297 172.298 174.900 -0.508 0.000 1.329 314 G CA -1.125 43.830 45.100 -0.242 0.000 0.935 314 G HN 0.578 nan 8.290 nan 0.000 0.590 315 W N -0.369 120.822 121.300 -0.182 0.000 2.438 315 W HA 0.773 5.430 4.660 -0.005 0.000 0.324 315 W C -0.237 176.036 176.519 -0.411 0.000 1.119 315 W CA -0.199 57.033 57.345 -0.188 0.000 1.221 315 W CB 1.223 30.650 29.460 -0.054 0.000 1.253 315 W HN 0.552 nan 8.180 nan 0.000 0.555 316 Y N 0.511 120.628 120.300 -0.305 0.000 2.665 316 Y HA 0.612 5.159 4.550 -0.005 0.000 0.336 316 Y C -0.272 175.420 175.900 -0.347 0.000 1.085 316 Y CA -1.625 56.192 58.100 -0.472 0.000 1.096 316 Y CB 2.278 40.183 38.460 -0.924 0.000 1.301 316 Y HN 0.319 nan 8.280 nan 0.000 0.493 317 R N 1.194 121.678 120.500 -0.025 0.000 2.604 317 R HA 0.592 4.929 4.340 -0.005 0.000 0.281 317 R C -2.219 174.151 176.300 0.116 0.000 1.020 317 R CA -0.543 55.591 56.100 0.058 0.000 0.899 317 R CB 1.189 31.512 30.300 0.037 0.000 1.205 317 R HN 0.717 nan 8.270 nan 0.000 0.450 318 L N 4.146 125.456 121.223 0.145 0.000 2.395 318 L HA 0.459 4.796 4.340 -0.005 0.000 0.269 318 L C -0.164 176.752 176.870 0.076 0.000 1.133 318 L CA -0.069 54.832 54.840 0.103 0.000 0.812 318 L CB 0.985 43.041 42.059 -0.004 0.000 1.125 318 L HN 0.789 nan 8.230 nan 0.000 0.452 319 K N 2.229 122.679 120.400 0.084 0.000 2.579 319 K HA 0.576 4.893 4.320 -0.005 0.000 0.284 319 K C -3.017 173.633 176.600 0.083 0.000 0.990 319 K CA -1.771 54.562 56.287 0.078 0.000 0.880 319 K CB 1.745 34.295 32.500 0.084 0.000 1.488 319 K HN 0.103 nan 8.250 nan 0.000 0.425 320 P HA 0.077 nan 4.420 nan 0.000 0.269 320 P C -0.352 176.995 177.300 0.078 0.000 1.209 320 P CA 0.118 63.260 63.100 0.070 0.000 0.776 320 P CB 0.999 32.731 31.700 0.054 0.000 0.876 321 G N 1.804 110.651 108.800 0.077 0.000 2.753 321 G HA2 0.192 4.149 3.960 -0.005 0.000 0.285 321 G HA3 0.192 4.149 3.960 -0.005 0.000 0.285 321 G C 0.979 175.912 174.900 0.054 0.000 1.344 321 G CA -0.597 44.550 45.100 0.079 0.000 1.050 321 G HN 0.325 nan 8.290 nan 0.000 0.532 322 R N -0.284 120.246 120.500 0.050 0.000 2.301 322 R HA -0.197 4.140 4.340 -0.005 0.000 0.250 322 R C 0.640 176.952 176.300 0.020 0.000 1.102 322 R CA 2.108 58.227 56.100 0.032 0.000 0.933 322 R CB -0.484 29.831 30.300 0.025 0.000 0.955 322 R HN 0.625 nan 8.270 nan 0.000 0.439 323 N N 0.618 119.326 118.700 0.014 0.000 2.535 323 N HA 0.029 4.766 4.740 -0.005 0.000 0.294 323 N C -0.805 174.708 175.510 0.006 0.000 1.408 323 N CA -0.164 52.889 53.050 0.004 0.000 0.927 323 N CB 0.249 38.730 38.487 -0.009 0.000 1.276 323 N HN 0.196 nan 8.380 nan 0.000 0.505 324 N N 0.913 119.623 118.700 0.018 0.000 2.669 324 N HA -0.174 4.563 4.740 -0.005 0.000 0.266 324 N C -1.057 174.468 175.510 0.025 0.000 1.024 324 N CA 0.763 53.827 53.050 0.025 0.000 0.766 324 N CB -0.439 38.060 38.487 0.020 0.000 0.898 324 N HN 0.181 nan 8.380 nan 0.000 0.548 325 T N 1.376 115.950 114.554 0.033 0.000 2.837 325 T HA 0.600 4.947 4.350 -0.005 0.000 0.285 325 T C 0.069 174.815 174.700 0.077 0.000 0.984 325 T CA -0.461 61.661 62.100 0.036 0.000 1.049 325 T CB 0.578 69.458 68.868 0.020 0.000 0.947 325 T HN 0.199 nan 8.240 nan 0.000 0.472 326 L N 2.738 124.024 121.223 0.105 0.000 2.319 326 L HA 0.745 5.082 4.340 -0.005 0.000 0.267 326 L C 0.597 177.599 176.870 0.220 0.000 1.011 326 L CA -1.437 53.487 54.840 0.139 0.000 0.818 326 L CB 1.509 43.642 42.059 0.123 0.000 1.316 326 L HN 0.646 nan 8.230 nan 0.000 0.432 327 A N 1.463 124.399 122.820 0.193 0.000 2.425 327 A HA 0.252 4.569 4.320 -0.005 0.000 0.242 327 A C -0.294 177.462 177.584 0.286 0.000 1.077 327 A CA 0.031 52.210 52.037 0.237 0.000 0.781 327 A CB 0.361 19.415 19.000 0.089 0.000 1.020 327 A HN 0.748 nan 8.150 nan 0.000 0.494 328 Q N 2.256 122.211 119.800 0.258 0.000 2.307 328 Q HA 0.522 4.859 4.340 -0.005 0.000 0.262 328 Q C -2.762 173.262 176.000 0.039 0.000 0.961 328 Q CA -2.119 53.757 55.803 0.121 0.000 0.882 328 Q CB 1.674 30.334 28.738 -0.130 0.000 1.264 328 Q HN 0.438 nan 8.270 nan 0.000 0.446 329 P HA 0.131 nan 4.420 nan 0.000 0.276 329 P C -0.924 176.267 177.300 -0.183 0.000 1.230 329 P CA -0.053 62.904 63.100 -0.238 0.000 0.776 329 P CB 0.691 32.294 31.700 -0.161 0.000 0.888 330 R N 1.720 122.099 120.500 -0.202 0.000 2.594 330 R HA 0.470 4.807 4.340 -0.005 0.000 0.272 330 R C 0.509 176.922 176.300 0.187 0.000 1.074 330 R CA -0.360 55.749 56.100 0.015 0.000 1.105 330 R CB 0.535 30.879 30.300 0.074 0.000 1.008 330 R HN 0.522 nan 8.270 nan 0.000 0.472 331 A N 4.015 126.938 122.820 0.172 0.000 2.351 331 A HA 0.244 4.561 4.320 -0.005 0.000 0.257 331 A C -1.620 175.971 177.584 0.012 0.000 1.087 331 A CA -1.407 50.678 52.037 0.080 0.000 0.798 331 A CB 0.175 19.202 19.000 0.044 0.000 1.033 331 A HN 0.493 nan 8.150 nan 0.000 0.488 332 P HA -0.176 nan 4.420 nan 0.000 0.216 332 P C 1.349 178.430 177.300 -0.365 0.000 1.150 332 P CA 1.339 63.969 63.100 -0.782 0.000 0.843 332 P CB -0.013 31.355 31.700 -0.554 0.000 0.787 333 M N -1.604 117.913 119.600 -0.139 0.000 2.549 333 M HA 0.017 4.494 4.480 -0.005 0.000 0.260 333 M C 1.610 177.943 176.300 0.056 0.000 1.076 333 M CA 0.690 55.962 55.300 -0.048 0.000 1.090 333 M CB -1.647 30.918 32.600 -0.058 0.000 1.418 333 M HN -0.126 nan 8.290 nan 0.000 0.486 334 A N -1.306 121.595 122.820 0.136 0.000 2.387 334 A HA 0.205 4.522 4.320 -0.005 0.000 0.234 334 A C 0.170 177.974 177.584 0.367 0.000 1.253 334 A CA -0.433 51.737 52.037 0.223 0.000 0.894 334 A CB -0.360 18.808 19.000 0.279 0.000 0.963 334 A HN 0.162 nan 8.150 nan 0.000 0.508 335 F N 0.262 120.273 119.950 0.101 0.000 2.578 335 F HA 0.331 4.855 4.527 -0.005 0.000 0.376 335 F C 1.626 177.483 175.800 0.096 0.000 1.085 335 F CA 0.154 58.217 58.000 0.104 0.000 1.260 335 F CB 0.835 39.902 39.000 0.112 0.000 1.095 335 F HN 0.113 nan 8.300 nan 0.000 0.573 336 G N 1.415 110.335 108.800 0.200 0.000 2.777 336 G HA2 0.153 4.110 3.960 -0.005 0.000 0.211 336 G HA3 0.153 4.110 3.960 -0.005 0.000 0.211 336 G C 0.351 175.301 174.900 0.083 0.000 1.149 336 G CA 0.732 45.901 45.100 0.116 0.000 0.785 336 G HN 0.707 nan 8.290 nan 0.000 0.536 337 T N -2.762 111.855 114.554 0.104 0.000 2.865 337 T HA 0.500 4.847 4.350 -0.005 0.000 0.294 337 T C -0.165 174.605 174.700 0.116 0.000 1.119 337 T CA -0.231 61.903 62.100 0.055 0.000 1.007 337 T CB 1.649 70.519 68.868 0.003 0.000 1.225 337 T HN 0.108 nan 8.240 nan 0.000 0.515 338 S N 1.306 117.060 115.700 0.090 0.000 3.072 338 S HA 0.598 5.065 4.470 -0.005 0.000 0.306 338 S C -0.127 174.556 174.600 0.138 0.000 1.207 338 S CA -0.678 57.608 58.200 0.143 0.000 1.008 338 S CB -0.878 62.373 63.200 0.085 0.000 1.390 338 S HN 0.741 nan 8.310 nan 0.000 0.523 339 S N 1.213 117.026 115.700 0.188 0.000 2.651 339 S HA 0.425 4.892 4.470 -0.005 0.000 0.279 339 S C -0.066 174.696 174.600 0.270 0.000 1.148 339 S CA -0.910 57.370 58.200 0.133 0.000 0.837 339 S CB 1.532 64.712 63.200 -0.032 0.000 1.138 339 S HN 0.521 nan 8.310 nan 0.000 0.478 340 D N 0.251 120.788 120.400 0.229 0.000 2.271 340 D HA 0.195 4.832 4.640 -0.005 0.000 0.206 340 D C 0.064 176.626 176.300 0.437 0.000 0.967 340 D CA 1.017 55.212 54.000 0.324 0.000 0.867 340 D CB 0.413 41.390 40.800 0.295 0.000 0.960 340 D HN 0.139 nan 8.370 nan 0.000 0.509 341 V N 0.496 120.498 119.914 0.147 0.000 2.969 341 V HA 0.273 4.390 4.120 -0.005 0.000 0.304 341 V C -1.086 174.694 176.094 -0.523 0.000 1.192 341 V CA -0.767 61.489 62.300 -0.073 0.000 0.962 341 V CB 3.299 35.106 31.823 -0.027 0.000 1.045 341 V HN -0.152 nan 8.190 nan 0.000 0.428 342 E N 2.831 122.499 120.200 -0.887 0.000 2.356 342 E HA 0.675 5.022 4.350 -0.005 0.000 0.275 342 E C -2.019 174.091 176.600 -0.817 0.000 0.904 342 E CA -0.544 55.368 56.400 -0.813 0.000 0.757 342 E CB 3.073 32.167 29.700 -1.009 0.000 1.232 342 E HN 0.457 nan 8.360 nan 0.000 0.442 343 F N 1.055 120.849 119.950 -0.260 0.000 2.569 343 F HA 0.351 4.875 4.527 -0.005 0.000 0.312 343 F C 0.034 175.682 175.800 -0.253 0.000 1.109 343 F CA -1.021 56.839 58.000 -0.233 0.000 0.919 343 F CB 1.646 40.510 39.000 -0.227 0.000 1.211 343 F HN 0.196 nan 8.300 nan 0.000 0.446 344 N N 1.902 120.430 118.700 -0.287 0.000 2.498 344 N HA 0.666 5.403 4.740 -0.005 0.000 0.287 344 N C -0.477 174.790 175.510 -0.404 0.000 1.097 344 N CA -0.243 52.417 53.050 -0.649 0.000 0.973 344 N CB 1.851 39.203 38.487 -1.890 0.000 1.153 344 N HN 0.872 nan 8.380 nan 0.000 0.472 345 C N -1.257 117.995 119.300 -0.079 0.000 3.230 345 C HA 0.723 5.180 4.460 -0.005 0.000 0.376 345 C C -0.477 174.817 174.990 0.507 0.000 1.956 345 C CA -0.550 58.680 59.018 0.354 0.000 1.141 345 C CB 1.342 29.208 27.740 0.210 0.000 2.302 345 C HN 0.589 nan 8.230 nan 0.000 0.422 346 T N -0.651 114.144 114.554 0.401 0.000 2.900 346 T HA 0.639 4.986 4.350 -0.005 0.000 0.303 346 T C 0.923 175.825 174.700 0.337 0.000 1.142 346 T CA 0.438 62.755 62.100 0.362 0.000 1.007 346 T CB 1.620 70.669 68.868 0.302 0.000 1.156 346 T HN 1.772 nan 8.240 nan 0.000 0.490 347 A N 1.926 124.973 122.820 0.378 0.000 1.997 347 A HA -0.140 4.178 4.320 -0.005 0.000 0.221 347 A C 1.761 179.592 177.584 0.412 0.000 1.172 347 A CA 2.434 54.765 52.037 0.490 0.000 0.645 347 A CB -0.534 18.698 19.000 0.388 0.000 0.813 347 A HN 0.925 nan 8.150 nan 0.000 0.454 348 D N -0.766 119.796 120.400 0.269 0.000 2.363 348 D HA -0.065 4.572 4.640 -0.005 0.000 0.226 348 D C 0.754 177.177 176.300 0.205 0.000 1.020 348 D CA 0.856 54.984 54.000 0.213 0.000 0.892 348 D CB -0.836 40.045 40.800 0.135 0.000 0.900 348 D HN 0.618 nan 8.370 nan 0.000 0.531 349 N N -0.361 118.475 118.700 0.226 0.000 2.398 349 N HA 0.179 4.916 4.740 -0.005 0.000 0.188 349 N C -0.129 175.497 175.510 0.194 0.000 1.122 349 N CA 0.002 53.164 53.050 0.188 0.000 0.866 349 N CB 0.525 39.122 38.487 0.184 0.000 0.970 349 N HN 0.126 nan 8.380 nan 0.000 0.462 350 L N 0.281 121.660 121.223 0.259 0.000 2.333 350 L HA 0.829 5.167 4.340 -0.005 0.000 0.269 350 L C -0.681 176.317 176.870 0.213 0.000 1.010 350 L CA -0.987 53.979 54.840 0.211 0.000 0.818 350 L CB 1.928 44.074 42.059 0.144 0.000 1.306 350 L HN -0.104 nan 8.230 nan 0.000 0.430 351 A N 2.282 125.169 122.820 0.112 0.000 2.574 351 A HA 0.592 4.909 4.320 -0.005 0.000 0.297 351 A C -0.889 176.611 177.584 -0.140 0.000 1.062 351 A CA -0.595 51.476 52.037 0.057 0.000 0.686 351 A CB 1.253 20.302 19.000 0.082 0.000 1.285 351 A HN 0.431 nan 8.150 nan 0.000 0.403 352 I N 1.737 122.141 120.570 -0.278 0.000 2.845 352 I HA 0.007 4.174 4.170 -0.005 0.000 0.296 352 I C 0.363 176.385 176.117 -0.158 0.000 1.216 352 I CA 0.864 61.949 61.300 -0.358 0.000 1.438 352 I CB 0.266 38.142 38.000 -0.206 0.000 1.342 352 I HN 0.565 nan 8.210 nan 0.000 0.577 353 E N 5.422 125.544 120.200 -0.130 0.000 2.073 353 E HA 0.226 4.573 4.350 -0.005 0.000 0.269 353 E C 0.984 177.557 176.600 -0.045 0.000 0.917 353 E CA -0.209 56.156 56.400 -0.059 0.000 0.757 353 E CB 1.557 31.232 29.700 -0.042 0.000 1.111 353 E HN 0.817 nan 8.360 nan 0.000 0.410 354 G N 2.878 111.655 108.800 -0.040 0.000 2.421 354 G HA2 -0.240 3.718 3.960 -0.005 0.000 0.216 354 G HA3 -0.240 3.718 3.960 -0.005 0.000 0.216 354 G C 1.215 176.098 174.900 -0.027 0.000 1.171 354 G CA 0.829 45.915 45.100 -0.023 0.000 0.775 354 G HN 0.564 nan 8.290 nan 0.000 0.543 355 G N -0.517 108.251 108.800 -0.054 0.000 2.813 355 G HA2 0.258 4.215 3.960 -0.005 0.000 0.209 355 G HA3 0.258 4.215 3.960 -0.005 0.000 0.209 355 G C 0.627 175.457 174.900 -0.116 0.000 1.150 355 G CA -0.083 44.978 45.100 -0.065 0.000 0.785 355 G HN 0.394 nan 8.290 nan 0.000 0.535 356 M N 1.974 121.466 119.600 -0.180 0.000 2.146 356 M HA 0.382 4.859 4.480 -0.005 0.000 0.357 356 M C 1.167 177.349 176.300 -0.196 0.000 1.261 356 M CA -0.005 55.056 55.300 -0.398 0.000 1.106 356 M CB 1.405 33.627 32.600 -0.630 0.000 1.612 356 M HN 0.086 nan 8.290 nan 0.000 0.470 357 S N 1.609 117.226 115.700 -0.138 0.000 3.334 357 S HA 0.369 4.837 4.470 -0.005 0.000 0.224 357 S C -0.040 174.774 174.600 0.357 0.000 0.959 357 S CA -0.486 57.792 58.200 0.130 0.000 0.815 357 S CB -0.047 63.179 63.200 0.042 0.000 0.861 357 S HN 0.625 nan 8.310 nan 0.000 0.596 358 D N 1.523 122.104 120.400 0.302 0.000 2.294 358 D HA 0.424 5.061 4.640 -0.005 0.000 0.250 358 D C -0.201 176.357 176.300 0.429 0.000 1.058 358 D CA -0.457 53.731 54.000 0.313 0.000 0.950 358 D CB 0.777 41.678 40.800 0.168 0.000 1.158 358 D HN 0.236 nan 8.370 nan 0.000 0.453 359 L N 2.527 123.890 121.223 0.233 0.000 2.525 359 L HA 0.070 4.407 4.340 -0.005 0.000 0.278 359 L C -1.588 175.309 176.870 0.044 0.000 1.218 359 L CA -0.918 53.955 54.840 0.055 0.000 0.878 359 L CB 0.176 42.318 42.059 0.139 0.000 1.127 359 L HN 0.191 nan 8.230 nan 0.000 0.492 360 P HA 0.106 nan 4.420 nan 0.000 0.293 360 P C -0.842 176.304 177.300 -0.257 0.000 1.304 360 P CA -0.641 62.361 63.100 -0.163 0.000 0.767 360 P CB 0.646 32.153 31.700 -0.322 0.000 1.247 361 A N -0.029 122.681 122.820 -0.183 0.000 3.029 361 A HA 0.142 4.459 4.320 -0.005 0.000 0.251 361 A C 0.168 177.700 177.584 -0.087 0.000 1.749 361 A CA -0.264 51.725 52.037 -0.080 0.000 1.386 361 A CB -2.123 16.863 19.000 -0.025 0.000 1.043 361 A HN 0.371 nan 8.150 nan 0.000 0.638 362 Y N 0.268 120.580 120.300 0.019 0.000 2.459 362 Y HA 0.222 4.769 4.550 -0.005 0.000 0.349 362 Y C 0.818 176.755 175.900 0.062 0.000 1.266 362 Y CA 0.371 58.484 58.100 0.022 0.000 1.483 362 Y CB 0.602 39.096 38.460 0.056 0.000 1.362 362 Y HN 0.241 nan 8.280 nan 0.000 0.628 363 K N 1.392 121.962 120.400 0.284 0.000 2.371 363 K HA 0.510 4.827 4.320 -0.005 0.000 0.251 363 K C -1.854 174.915 176.600 0.282 0.000 0.934 363 K CA -0.852 55.585 56.287 0.249 0.000 0.798 363 K CB 1.781 34.355 32.500 0.123 0.000 1.204 363 K HN 0.448 nan 8.250 nan 0.000 0.427 364 L N 2.698 124.098 121.223 0.295 0.000 2.333 364 L HA 0.593 4.930 4.340 -0.005 0.000 0.280 364 L C -0.909 176.137 176.870 0.294 0.000 1.004 364 L CA -0.418 54.545 54.840 0.205 0.000 0.820 364 L CB 1.372 43.406 42.059 -0.041 0.000 1.247 364 L HN 0.754 nan 8.230 nan 0.000 0.416 365 M N 6.150 125.907 119.600 0.260 0.000 2.113 365 M HA 0.354 4.831 4.480 -0.005 0.000 0.352 365 M C -1.285 175.180 176.300 0.274 0.000 1.170 365 M CA -0.320 55.142 55.300 0.271 0.000 1.053 365 M CB 0.854 33.583 32.600 0.216 0.000 1.601 365 M HN 0.846 nan 8.290 nan 0.000 0.459 366 C N 8.316 127.803 119.300 0.312 0.000 2.264 366 C HA 0.764 5.221 4.460 -0.005 0.000 0.324 366 C C -0.757 174.446 174.990 0.355 0.000 1.267 366 C CA -0.550 58.640 59.018 0.286 0.000 1.618 366 C CB -0.721 27.184 27.740 0.275 0.000 2.278 366 C HN 0.847 nan 8.230 nan 0.000 0.499 367 F N 4.222 124.226 119.950 0.089 0.000 2.620 367 F HA 0.871 5.395 4.527 -0.005 0.000 0.320 367 F C -1.088 174.698 175.800 -0.024 0.000 1.069 367 F CA -1.212 56.810 58.000 0.036 0.000 0.953 367 F CB 1.271 40.280 39.000 0.016 0.000 1.322 367 F HN 0.464 nan 8.300 nan 0.000 0.479 368 D N 2.143 122.474 120.400 -0.115 0.000 2.837 368 D HA 0.496 5.133 4.640 -0.005 0.000 0.220 368 D C -1.274 174.957 176.300 -0.114 0.000 1.236 368 D CA -0.469 53.391 54.000 -0.233 0.000 0.838 368 D CB 2.106 42.864 40.800 -0.071 0.000 1.647 368 D HN 0.880 nan 8.370 nan 0.000 0.486 369 I N -0.564 119.918 120.570 -0.147 0.000 2.707 369 I HA 0.845 5.012 4.170 -0.005 0.000 0.309 369 I C -0.715 175.359 176.117 -0.071 0.000 1.001 369 I CA -0.780 60.447 61.300 -0.121 0.000 1.129 369 I CB 2.023 39.903 38.000 -0.200 0.000 1.308 369 I HN 0.218 nan 8.210 nan 0.000 0.466 370 E N 3.320 123.475 120.200 -0.075 0.000 2.199 370 E HA 0.565 4.912 4.350 -0.005 0.000 0.269 370 E C -1.751 174.770 176.600 -0.132 0.000 0.899 370 E CA -0.333 56.025 56.400 -0.071 0.000 0.772 370 E CB 1.744 31.438 29.700 -0.010 0.000 1.155 370 E HN 0.840 nan 8.360 nan 0.000 0.408 371 C N 3.077 122.265 119.300 -0.186 0.000 2.719 371 C HA 0.685 5.142 4.460 -0.005 0.000 0.327 371 C C -0.745 174.138 174.990 -0.178 0.000 1.238 371 C CA -0.863 58.013 59.018 -0.237 0.000 1.727 371 C CB 1.404 28.874 27.740 -0.450 0.000 2.256 371 C HN 0.754 nan 8.230 nan 0.000 0.489 372 K N 1.158 121.464 120.400 -0.157 0.000 2.668 372 K HA 0.574 4.891 4.320 -0.005 0.000 0.246 372 K C -0.302 176.238 176.600 -0.101 0.000 0.976 372 K CA -0.043 56.155 56.287 -0.149 0.000 0.902 372 K CB 1.208 33.554 32.500 -0.258 0.000 1.172 372 K HN 0.953 nan 8.250 nan 0.000 0.452 373 A N 1.967 124.741 122.820 -0.077 0.000 2.547 373 A HA 0.326 4.643 4.320 -0.005 0.000 0.233 373 A C 0.887 178.466 177.584 -0.007 0.000 1.067 373 A CA 0.824 52.845 52.037 -0.026 0.000 0.763 373 A CB 0.189 19.180 19.000 -0.015 0.000 1.007 373 A HN 0.933 nan 8.150 nan 0.000 0.506 374 G N 0.790 109.606 108.800 0.028 0.000 4.213 374 G HA2 0.468 4.425 3.960 -0.005 0.000 0.274 374 G HA3 0.468 4.425 3.960 -0.005 0.000 0.274 374 G C 0.482 175.409 174.900 0.044 0.000 1.033 374 G CA 0.690 45.804 45.100 0.024 0.000 0.822 374 G HN 1.168 nan 8.290 nan 0.000 0.432 375 G N 0.536 109.377 108.800 0.069 0.000 2.535 375 G HA2 0.391 4.348 3.960 -0.005 0.000 0.282 375 G HA3 0.391 4.348 3.960 -0.005 0.000 0.282 375 G C 1.013 175.946 174.900 0.054 0.000 1.350 375 G CA 0.404 45.544 45.100 0.067 0.000 1.039 375 G HN 0.312 nan 8.290 nan 0.000 0.509 376 E N -1.148 119.081 120.200 0.049 0.000 2.171 376 E HA -0.183 4.164 4.350 -0.005 0.000 0.197 376 E C 0.087 176.722 176.600 0.058 0.000 0.997 376 E CA 1.350 57.778 56.400 0.047 0.000 0.810 376 E CB 0.016 29.742 29.700 0.042 0.000 0.738 376 E HN 0.258 nan 8.360 nan 0.000 0.467 377 D N 0.538 120.981 120.400 0.072 0.000 2.454 377 D HA 0.075 4.713 4.640 -0.005 0.000 0.225 377 D C 0.028 176.376 176.300 0.080 0.000 1.081 377 D CA -0.363 53.686 54.000 0.081 0.000 0.864 377 D CB 1.204 42.064 40.800 0.100 0.000 1.040 377 D HN 0.089 nan 8.370 nan 0.000 0.517 378 E N 2.366 122.608 120.200 0.070 0.000 2.418 378 E HA -0.025 4.322 4.350 -0.005 0.000 0.197 378 E C 1.200 177.849 176.600 0.081 0.000 1.026 378 E CA 0.439 56.877 56.400 0.062 0.000 0.862 378 E CB 0.413 30.145 29.700 0.053 0.000 0.799 378 E HN 0.613 nan 8.360 nan 0.000 0.518 379 L N 0.321 121.611 121.223 0.111 0.000 2.592 379 L HA 0.197 4.534 4.340 -0.005 0.000 0.227 379 L C 0.961 177.901 176.870 0.117 0.000 1.127 379 L CA -0.548 54.397 54.840 0.174 0.000 0.884 379 L CB 0.065 42.265 42.059 0.234 0.000 1.065 379 L HN -0.070 nan 8.230 nan 0.000 0.457 380 A N 0.319 123.196 122.820 0.095 0.000 2.462 380 A HA 0.079 4.396 4.320 -0.005 0.000 0.243 380 A C -0.331 177.293 177.584 0.066 0.000 1.076 380 A CA -0.288 51.810 52.037 0.101 0.000 0.773 380 A CB -0.098 18.974 19.000 0.120 0.000 1.010 380 A HN 0.142 nan 8.150 nan 0.000 0.493 381 F N 3.410 123.321 119.950 -0.064 0.000 2.608 381 F HA 0.328 4.852 4.527 -0.005 0.000 0.380 381 F C -1.807 173.977 175.800 -0.028 0.000 1.083 381 F CA -1.359 56.583 58.000 -0.096 0.000 1.266 381 F CB 0.304 39.247 39.000 -0.095 0.000 1.076 381 F HN 0.345 nan 8.300 nan 0.000 0.574 382 P HA 0.197 nan 4.420 nan 0.000 0.271 382 P C -1.329 175.902 177.300 -0.115 0.000 1.216 382 P CA -0.110 62.822 63.100 -0.280 0.000 0.776 382 P CB 0.926 32.450 31.700 -0.293 0.000 0.881 383 V N 2.335 122.153 119.914 -0.160 0.000 2.482 383 V HA 0.349 4.466 4.120 -0.005 0.000 0.295 383 V C 1.143 177.006 176.094 -0.385 0.000 1.026 383 V CA -0.386 61.743 62.300 -0.285 0.000 0.856 383 V CB 1.106 32.521 31.823 -0.681 0.000 1.001 383 V HN 0.650 nan 8.190 nan 0.000 0.424 384 A N 4.006 126.463 122.820 -0.604 0.000 1.917 384 A HA -0.089 4.228 4.320 -0.005 0.000 0.219 384 A C 2.201 179.544 177.584 -0.401 0.000 1.182 384 A CA 2.275 53.742 52.037 -0.949 0.000 0.633 384 A CB -0.808 17.443 19.000 -1.248 0.000 0.819 384 A HN 1.195 nan 8.150 nan 0.000 0.448 385 G N -1.075 107.590 108.800 -0.225 0.000 2.501 385 G HA2 -0.131 3.826 3.960 -0.005 0.000 0.220 385 G HA3 -0.131 3.826 3.960 -0.005 0.000 0.220 385 G C 0.595 175.546 174.900 0.085 0.000 1.114 385 G CA 0.460 45.524 45.100 -0.059 0.000 0.757 385 G HN 0.813 nan 8.290 nan 0.000 0.559 386 H N 0.790 119.798 119.070 -0.103 0.000 2.800 386 H HA 0.115 4.668 4.556 -0.005 0.000 0.291 386 H C -1.460 173.826 175.328 -0.070 0.000 1.076 386 H CA -2.087 53.923 56.048 -0.062 0.000 1.452 386 H CB 1.731 31.478 29.762 -0.025 0.000 1.461 386 H HN 0.076 nan 8.280 nan 0.000 0.488 387 P HA -0.178 nan 4.420 nan 0.000 0.219 387 P C 0.703 178.028 177.300 0.041 0.000 1.146 387 P CA 1.125 64.222 63.100 -0.004 0.000 0.808 387 P CB 0.321 32.005 31.700 -0.025 0.000 0.779 388 E N -0.927 119.311 120.200 0.064 0.000 2.427 388 E HA -0.025 4.322 4.350 -0.005 0.000 0.196 388 E C -0.011 176.629 176.600 0.067 0.000 1.028 388 E CA 0.640 57.078 56.400 0.062 0.000 0.864 388 E CB -0.670 29.064 29.700 0.057 0.000 0.813 388 E HN 0.291 nan 8.360 nan 0.000 0.514 389 D N 0.802 121.257 120.400 0.093 0.000 2.443 389 D HA 0.215 4.852 4.640 -0.005 0.000 0.221 389 D C -0.470 175.914 176.300 0.141 0.000 1.097 389 D CA -0.143 53.913 54.000 0.092 0.000 0.865 389 D CB 0.582 41.437 40.800 0.093 0.000 1.034 389 D HN 0.024 nan 8.370 nan 0.000 0.511 390 L N 1.180 122.452 121.223 0.082 0.000 2.360 390 L HA 0.435 4.772 4.340 -0.005 0.000 0.271 390 L C 0.246 177.169 176.870 0.087 0.000 1.057 390 L CA -1.306 53.590 54.840 0.094 0.000 0.803 390 L CB 1.418 43.482 42.059 0.008 0.000 1.207 390 L HN -0.022 nan 8.230 nan 0.000 0.445 391 V N 3.565 123.551 119.914 0.120 0.000 2.439 391 V HA -0.002 4.116 4.120 -0.005 0.000 0.271 391 V C 1.114 177.192 176.094 -0.026 0.000 1.040 391 V CA 0.201 62.495 62.300 -0.010 0.000 1.002 391 V CB 0.799 32.607 31.823 -0.026 0.000 1.000 391 V HN 0.716 nan 8.190 nan 0.000 0.477 392 I N 1.567 122.113 120.570 -0.039 0.000 3.526 392 I HA 0.324 4.491 4.170 -0.005 0.000 0.294 392 I C 0.652 176.832 176.117 0.104 0.000 1.229 392 I CA 0.447 61.768 61.300 0.034 0.000 1.408 392 I CB 0.184 38.177 38.000 -0.011 0.000 1.127 392 I HN 0.532 nan 8.210 nan 0.000 0.439 393 Q N 1.369 121.200 119.800 0.051 0.000 2.418 393 Q HA 0.675 5.012 4.340 -0.005 0.000 0.282 393 Q C -1.433 174.576 176.000 0.014 0.000 1.044 393 Q CA -0.649 55.207 55.803 0.088 0.000 0.813 393 Q CB 3.477 32.284 28.738 0.116 0.000 1.428 393 Q HN 0.180 nan 8.270 nan 0.000 0.402 394 I N 1.404 122.008 120.570 0.057 0.000 2.512 394 I HA 0.276 4.443 4.170 -0.005 0.000 0.287 394 I C -0.399 175.820 176.117 0.171 0.000 1.069 394 I CA -0.650 60.638 61.300 -0.021 0.000 1.056 394 I CB 2.104 39.871 38.000 -0.390 0.000 1.229 394 I HN 0.568 nan 8.210 nan 0.000 0.429 395 S N 4.347 120.137 115.700 0.150 0.000 2.541 395 S HA 0.655 5.122 4.470 -0.005 0.000 0.283 395 S C -0.584 174.167 174.600 0.251 0.000 1.196 395 S CA -0.668 57.650 58.200 0.197 0.000 1.062 395 S CB 1.789 65.076 63.200 0.144 0.000 1.009 395 S HN 0.781 nan 8.310 nan 0.000 0.502 396 C N 5.409 124.874 119.300 0.275 0.000 2.620 396 C HA 0.604 5.062 4.460 -0.005 0.000 0.356 396 C C -1.231 173.878 174.990 0.198 0.000 1.082 396 C CA -0.689 58.510 59.018 0.300 0.000 1.293 396 C CB -0.850 27.139 27.740 0.416 0.000 1.836 396 C HN 0.974 nan 8.230 nan 0.000 0.453 397 L N 6.126 127.461 121.223 0.186 0.000 2.325 397 L HA 0.591 4.928 4.340 -0.005 0.000 0.281 397 L C -0.927 175.992 176.870 0.083 0.000 1.004 397 L CA -0.665 54.220 54.840 0.075 0.000 0.823 397 L CB 1.551 43.658 42.059 0.081 0.000 1.236 397 L HN 0.422 nan 8.230 nan 0.000 0.415 398 L N 4.517 125.734 121.223 -0.009 0.000 2.280 398 L HA 0.472 4.809 4.340 -0.005 0.000 0.287 398 L C -0.467 176.434 176.870 0.052 0.000 1.023 398 L CA -0.394 54.518 54.840 0.120 0.000 0.819 398 L CB 0.640 42.733 42.059 0.056 0.000 1.212 398 L HN 0.281 nan 8.230 nan 0.000 0.420 399 Y N 0.751 121.176 120.300 0.207 0.000 2.528 399 Y HA 0.408 4.955 4.550 -0.006 0.000 0.335 399 Y C 0.532 176.547 175.900 0.192 0.000 1.093 399 Y CA -0.969 57.238 58.100 0.179 0.000 1.134 399 Y CB 1.217 39.819 38.460 0.237 0.000 1.253 399 Y HN 0.465 nan 8.280 nan 0.000 0.478 400 D N 1.619 122.204 120.400 0.308 0.000 2.225 400 D HA 0.146 4.783 4.640 -0.005 0.000 0.248 400 D C 0.442 176.875 176.300 0.222 0.000 1.096 400 D CA 0.060 54.194 54.000 0.224 0.000 0.863 400 D CB 1.301 42.181 40.800 0.132 0.000 1.156 400 D HN 0.657 nan 8.370 nan 0.000 0.450 401 L N 2.856 124.215 121.223 0.227 0.000 2.240 401 L HA -0.127 4.210 4.340 -0.005 0.000 0.211 401 L C 2.350 179.358 176.870 0.231 0.000 1.106 401 L CA 0.676 55.672 54.840 0.260 0.000 0.793 401 L CB -0.096 42.042 42.059 0.132 0.000 0.927 401 L HN 0.429 nan 8.230 nan 0.000 0.446 402 S N -2.269 113.523 115.700 0.153 0.000 2.501 402 S HA -0.082 4.385 4.470 -0.005 0.000 0.220 402 S C 1.692 176.338 174.600 0.077 0.000 0.997 402 S CA 0.801 59.074 58.200 0.122 0.000 0.919 402 S CB -0.135 63.113 63.200 0.081 0.000 0.778 402 S HN 0.492 nan 8.310 nan 0.000 0.523 403 T N -4.181 110.399 114.554 0.043 0.000 2.971 403 T HA 0.278 4.626 4.350 -0.005 0.000 0.252 403 T C 0.876 175.522 174.700 -0.090 0.000 1.022 403 T CA 0.812 62.909 62.100 -0.006 0.000 0.980 403 T CB -0.009 68.857 68.868 -0.003 0.000 1.044 403 T HN 0.282 nan 8.240 nan 0.000 0.501 404 T N 0.350 114.807 114.554 -0.162 0.000 5.686 404 T HA -0.111 4.237 4.350 -0.005 0.000 0.270 404 T C 0.308 174.811 174.700 -0.329 0.000 2.206 404 T CA 0.672 62.428 62.100 -0.573 0.000 3.748 404 T CB -1.892 66.633 68.868 -0.572 0.000 0.697 404 T HN 1.133 nan 8.240 nan 0.000 1.085 405 A N 0.721 123.492 122.820 -0.082 0.000 2.354 405 A HA 0.702 5.019 4.320 -0.005 0.000 0.269 405 A C 0.005 177.622 177.584 0.056 0.000 1.109 405 A CA -0.351 51.676 52.037 -0.017 0.000 0.800 405 A CB 0.432 19.415 19.000 -0.028 0.000 1.045 405 A HN 0.524 nan 8.150 nan 0.000 0.489 406 L N 1.802 123.009 121.223 -0.027 0.000 2.313 406 L HA 0.349 4.687 4.340 -0.005 0.000 0.282 406 L C 0.624 177.364 176.870 -0.217 0.000 1.092 406 L CA 0.764 55.438 54.840 -0.277 0.000 0.831 406 L CB 0.280 42.143 42.059 -0.325 0.000 1.159 406 L HN 0.871 nan 8.230 nan 0.000 0.442 407 E N 2.935 123.000 120.200 -0.225 0.000 2.465 407 E HA 0.170 4.517 4.350 -0.005 0.000 0.209 407 E C -0.687 175.509 176.600 -0.674 0.000 0.951 407 E CA 0.049 56.250 56.400 -0.332 0.000 0.997 407 E CB 0.515 30.095 29.700 -0.201 0.000 1.025 407 E HN 0.690 nan 8.360 nan 0.000 0.500 408 H N -0.956 118.043 119.070 -0.118 0.000 2.974 408 H HA 0.335 4.889 4.556 -0.004 0.000 0.366 408 H C -1.374 173.887 175.328 -0.113 0.000 1.155 408 H CA -0.690 55.298 56.048 -0.100 0.000 1.186 408 H CB 2.086 31.789 29.762 -0.098 0.000 1.799 408 H HN -0.203 nan 8.280 nan 0.000 0.541 409 V N 4.388 124.328 119.914 0.044 0.000 2.326 409 V HA 0.318 4.435 4.120 -0.005 0.000 0.281 409 V C -0.593 175.532 176.094 0.051 0.000 1.015 409 V CA -0.464 61.851 62.300 0.026 0.000 0.823 409 V CB 0.724 32.547 31.823 -0.000 0.000 1.009 409 V HN 0.481 nan 8.190 nan 0.000 0.436 410 L N 5.573 126.840 121.223 0.072 0.000 2.329 410 L HA 0.659 4.996 4.340 -0.005 0.000 0.279 410 L C -0.819 176.104 176.870 0.089 0.000 1.014 410 L CA -0.748 54.114 54.840 0.038 0.000 0.814 410 L CB 2.055 44.126 42.059 0.019 0.000 1.257 410 L HN 0.431 nan 8.230 nan 0.000 0.424 411 L N 3.175 124.411 121.223 0.022 0.000 2.342 411 L HA 0.537 4.875 4.340 -0.005 0.000 0.276 411 L C -1.088 175.824 176.870 0.070 0.000 0.997 411 L CA 0.032 54.935 54.840 0.106 0.000 0.838 411 L CB 1.009 43.117 42.059 0.082 0.000 1.224 411 L HN 0.197 nan 8.230 nan 0.000 0.416 412 F N 3.286 123.316 119.950 0.132 0.000 2.438 412 F HA 0.513 5.037 4.527 -0.005 0.000 0.356 412 F C 0.814 176.735 175.800 0.202 0.000 1.099 412 F CA 0.198 58.334 58.000 0.227 0.000 1.185 412 F CB 1.505 40.582 39.000 0.128 0.000 1.115 412 F HN 0.510 nan 8.300 nan 0.000 0.526 413 S N 5.531 121.477 115.700 0.411 0.000 2.561 413 S HA 0.452 4.920 4.470 -0.005 0.000 0.303 413 S C -0.997 173.832 174.600 0.381 0.000 1.110 413 S CA -0.814 57.569 58.200 0.305 0.000 1.034 413 S CB 0.777 64.080 63.200 0.172 0.000 1.010 413 S HN 0.679 nan 8.310 nan 0.000 0.482 414 L N 5.775 127.192 121.223 0.323 0.000 2.342 414 L HA 0.599 4.936 4.340 -0.005 0.000 0.285 414 L C 0.540 177.586 176.870 0.293 0.000 1.095 414 L CA 0.918 55.949 54.840 0.318 0.000 0.843 414 L CB -0.584 41.621 42.059 0.242 0.000 1.201 414 L HN 1.127 nan 8.230 nan 0.000 0.445 415 G N 2.479 111.407 108.800 0.214 0.000 2.619 415 G HA2 -0.171 3.786 3.960 -0.005 0.000 0.686 415 G HA3 -0.171 3.786 3.960 -0.005 0.000 0.686 415 G C -0.495 174.408 174.900 0.005 0.000 1.256 415 G CA -0.354 44.795 45.100 0.083 0.000 0.826 415 G HN 0.911 nan 8.290 nan 0.000 0.619 416 S N -1.652 114.008 115.700 -0.066 0.000 2.593 416 S HA 0.618 5.085 4.470 -0.005 0.000 0.269 416 S C 0.339 174.894 174.600 -0.076 0.000 1.334 416 S CA 0.198 58.347 58.200 -0.085 0.000 1.015 416 S CB 1.698 64.832 63.200 -0.109 0.000 0.912 416 S HN 2.297 nan 8.310 nan 0.000 0.541 417 C N 2.096 121.359 119.300 -0.062 0.000 2.817 417 C HA 0.509 4.966 4.460 -0.005 0.000 0.385 417 C C -2.074 172.891 174.990 -0.043 0.000 1.050 417 C CA -0.571 58.421 59.018 -0.044 0.000 1.245 417 C CB 0.352 28.087 27.740 -0.009 0.000 1.706 417 C HN 0.942 nan 8.230 nan 0.000 0.488 418 D N 5.447 125.822 120.400 -0.042 0.000 2.461 418 D HA 0.384 5.021 4.640 -0.005 0.000 0.240 418 D C 0.072 176.359 176.300 -0.022 0.000 1.094 418 D CA 0.104 54.083 54.000 -0.036 0.000 0.868 418 D CB 1.304 42.078 40.800 -0.043 0.000 1.062 418 D HN 0.600 nan 8.370 nan 0.000 0.530 419 L N 3.140 124.361 121.223 -0.004 0.000 2.514 419 L HA 0.127 4.464 4.340 -0.005 0.000 0.280 419 L C -1.772 175.112 176.870 0.023 0.000 1.223 419 L CA -1.187 53.665 54.840 0.020 0.000 0.864 419 L CB -0.087 42.024 42.059 0.086 0.000 1.118 419 L HN 0.085 nan 8.230 nan 0.000 0.494 420 P HA 0.029 nan 4.420 nan 0.000 0.271 420 P C 0.340 177.671 177.300 0.052 0.000 1.216 420 P CA -0.237 62.878 63.100 0.025 0.000 0.771 420 P CB 0.592 32.302 31.700 0.017 0.000 0.864 421 E N 1.482 121.694 120.200 0.020 0.000 2.130 421 E HA -0.191 4.156 4.350 -0.005 0.000 0.196 421 E C 1.736 178.345 176.600 0.014 0.000 0.998 421 E CA 2.023 58.429 56.400 0.010 0.000 0.806 421 E CB -0.258 29.440 29.700 -0.004 0.000 0.738 421 E HN 0.572 nan 8.360 nan 0.000 0.459 422 S N 0.165 115.879 115.700 0.023 0.000 2.370 422 S HA -0.238 4.230 4.470 -0.005 0.000 0.226 422 S C 1.958 176.582 174.600 0.040 0.000 1.033 422 S CA 1.642 59.855 58.200 0.022 0.000 1.011 422 S CB -0.621 62.593 63.200 0.022 0.000 0.852 422 S HN 0.355 nan 8.310 nan 0.000 0.457 423 H N 2.106 121.150 119.070 -0.045 0.000 2.321 423 H HA 0.105 4.658 4.556 -0.004 0.000 0.300 423 H C 1.851 177.153 175.328 -0.043 0.000 1.087 423 H CA 1.902 57.918 56.048 -0.053 0.000 1.319 423 H CB -0.519 29.207 29.762 -0.060 0.000 1.379 423 H HN 0.358 nan 8.280 nan 0.000 0.501 424 L N -0.183 120.995 121.223 -0.076 0.000 2.017 424 L HA -0.188 4.150 4.340 -0.005 0.000 0.208 424 L C 2.270 179.060 176.870 -0.134 0.000 1.073 424 L CA 1.329 56.086 54.840 -0.138 0.000 0.745 424 L CB -0.563 41.464 42.059 -0.052 0.000 0.894 424 L HN 0.313 nan 8.230 nan 0.000 0.432 425 N N 0.055 118.707 118.700 -0.081 0.000 2.149 425 N HA -0.242 4.495 4.740 -0.005 0.000 0.188 425 N C 1.749 177.211 175.510 -0.080 0.000 1.019 425 N CA 1.394 54.404 53.050 -0.066 0.000 0.857 425 N CB -0.258 38.205 38.487 -0.040 0.000 0.997 425 N HN 0.444 nan 8.380 nan 0.000 0.426 426 E N 0.894 121.036 120.200 -0.097 0.000 2.051 426 E HA -0.113 4.234 4.350 -0.005 0.000 0.192 426 E C 1.868 178.393 176.600 -0.124 0.000 0.991 426 E CA 0.706 57.049 56.400 -0.095 0.000 0.799 426 E CB -0.069 29.582 29.700 -0.083 0.000 0.748 426 E HN 0.290 nan 8.360 nan 0.000 0.449 427 L N 0.479 121.580 121.223 -0.203 0.000 2.131 427 L HA -0.134 4.203 4.340 -0.005 0.000 0.210 427 L C 2.693 179.492 176.870 -0.117 0.000 1.092 427 L CA 0.873 55.606 54.840 -0.178 0.000 0.759 427 L CB -0.512 41.396 42.059 -0.252 0.000 0.903 427 L HN 0.205 nan 8.230 nan 0.000 0.435 428 A N 0.408 123.163 122.820 -0.107 0.000 1.873 428 A HA -0.123 4.194 4.320 -0.005 0.000 0.215 428 A C 2.552 180.099 177.584 -0.061 0.000 1.186 428 A CA 1.632 53.623 52.037 -0.076 0.000 0.616 428 A CB -0.706 18.254 19.000 -0.067 0.000 0.823 428 A HN 0.365 nan 8.150 nan 0.000 0.442 429 A N -0.646 122.139 122.820 -0.059 0.000 2.070 429 A HA -0.092 4.225 4.320 -0.005 0.000 0.220 429 A C 2.044 179.603 177.584 -0.041 0.000 1.159 429 A CA 1.527 53.537 52.037 -0.044 0.000 0.656 429 A CB -0.339 18.637 19.000 -0.039 0.000 0.800 429 A HN 0.455 nan 8.150 nan 0.000 0.453 430 R N -0.977 119.494 120.500 -0.049 0.000 2.319 430 R HA 0.225 4.562 4.340 -0.005 0.000 0.204 430 R C 1.213 177.490 176.300 -0.039 0.000 0.954 430 R CA 0.658 56.734 56.100 -0.039 0.000 1.066 430 R CB -0.317 29.960 30.300 -0.038 0.000 0.991 430 R HN 0.610 nan 8.270 nan 0.000 0.486 431 G N 0.866 109.640 108.800 -0.045 0.000 2.258 431 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.274 431 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.274 431 G C -0.044 174.823 174.900 -0.055 0.000 1.021 431 G CA 0.218 45.291 45.100 -0.046 0.000 0.798 431 G HN 0.223 nan 8.290 nan 0.000 0.507 432 L N 0.009 121.193 121.223 -0.064 0.000 2.375 432 L HA 0.536 4.873 4.340 -0.005 0.000 0.268 432 L C -1.482 175.336 176.870 -0.087 0.000 1.058 432 L CA -2.472 52.322 54.840 -0.076 0.000 0.803 432 L CB 0.813 42.827 42.059 -0.075 0.000 1.212 432 L HN -0.095 nan 8.230 nan 0.000 0.451 433 P HA 0.095 nan 4.420 nan 0.000 0.272 433 P C -0.675 176.579 177.300 -0.077 0.000 1.223 433 P CA -0.336 62.707 63.100 -0.095 0.000 0.784 433 P CB 0.332 31.958 31.700 -0.124 0.000 0.923 434 T N 3.577 118.093 114.554 -0.063 0.000 2.814 434 T HA 0.256 4.603 4.350 -0.005 0.000 0.297 434 T C -2.099 172.578 174.700 -0.039 0.000 0.956 434 T CA -0.807 61.259 62.100 -0.056 0.000 1.123 434 T CB -0.411 68.428 68.868 -0.049 0.000 0.902 434 T HN 0.310 nan 8.240 nan 0.000 0.528 435 P HA 0.119 nan 4.420 nan 0.000 0.265 435 P C -0.938 176.349 177.300 -0.023 0.000 1.187 435 P CA -0.192 62.904 63.100 -0.006 0.000 0.766 435 P CB 0.405 32.120 31.700 0.026 0.000 0.820 436 V N 4.573 124.471 119.914 -0.026 0.000 2.378 436 V HA 0.172 4.289 4.120 -0.005 0.000 0.288 436 V C 0.053 176.091 176.094 -0.094 0.000 1.016 436 V CA -0.576 61.684 62.300 -0.067 0.000 0.840 436 V CB 1.855 33.648 31.823 -0.049 0.000 0.994 436 V HN 0.207 nan 8.190 nan 0.000 0.431 437 V N 7.186 127.030 119.914 -0.117 0.000 2.364 437 V HA 0.416 4.533 4.120 -0.005 0.000 0.272 437 V C -0.024 175.957 176.094 -0.188 0.000 1.036 437 V CA -0.351 61.880 62.300 -0.115 0.000 0.880 437 V CB 1.310 33.087 31.823 -0.077 0.000 0.991 437 V HN 0.612 nan 8.190 nan 0.000 0.460 438 L N 5.594 126.686 121.223 -0.219 0.000 2.282 438 L HA 0.608 4.945 4.340 -0.005 0.000 0.288 438 L C 0.117 176.806 176.870 -0.301 0.000 1.033 438 L CA -0.262 54.394 54.840 -0.307 0.000 0.807 438 L CB 1.296 43.142 42.059 -0.356 0.000 1.209 438 L HN 0.603 nan 8.230 nan 0.000 0.423 439 E N 3.079 122.984 120.200 -0.491 0.000 2.238 439 E HA 0.671 5.018 4.350 -0.005 0.000 0.267 439 E C -1.564 174.750 176.600 -0.477 0.000 0.887 439 E CA -0.627 55.605 56.400 -0.280 0.000 0.769 439 E CB 2.579 32.211 29.700 -0.113 0.000 1.187 439 E HN 0.246 nan 8.360 nan 0.000 0.416 440 F N 0.394 120.491 119.950 0.246 0.000 2.601 440 F HA 0.221 4.745 4.527 -0.005 0.000 0.309 440 F C 0.754 176.690 175.800 0.225 0.000 1.089 440 F CA -0.823 57.353 58.000 0.293 0.000 0.940 440 F CB 1.642 40.757 39.000 0.192 0.000 1.273 440 F HN 0.346 nan 8.300 nan 0.000 0.450 441 D N 0.369 121.058 120.400 0.482 0.000 2.347 441 D HA 0.012 4.650 4.640 -0.005 0.000 0.213 441 D C 0.360 176.742 176.300 0.137 0.000 0.985 441 D CA 0.867 55.083 54.000 0.360 0.000 0.879 441 D CB 0.391 41.518 40.800 0.544 0.000 0.919 441 D HN 0.389 nan 8.370 nan 0.000 0.526 442 S N -1.251 114.487 115.700 0.063 0.000 2.556 442 S HA 0.235 4.702 4.470 -0.005 0.000 0.271 442 S C 0.671 175.232 174.600 -0.065 0.000 1.135 442 S CA -0.860 57.205 58.200 -0.225 0.000 0.858 442 S CB 3.001 65.876 63.200 -0.542 0.000 1.114 442 S HN -0.086 nan 8.310 nan 0.000 0.468 443 E N 0.545 120.722 120.200 -0.038 0.000 2.070 443 E HA -0.197 4.150 4.350 -0.005 0.000 0.197 443 E C 1.389 177.862 176.600 -0.211 0.000 1.004 443 E CA 1.610 57.985 56.400 -0.042 0.000 0.805 443 E CB -0.220 29.548 29.700 0.113 0.000 0.744 443 E HN 0.719 nan 8.360 nan 0.000 0.451 444 F N 1.764 121.485 119.950 -0.382 0.000 2.134 444 F HA -0.122 4.402 4.527 -0.004 0.000 0.299 444 F C 1.962 177.458 175.800 -0.507 0.000 1.097 444 F CA 1.737 59.324 58.000 -0.688 0.000 1.264 444 F CB -0.070 38.558 39.000 -0.619 0.000 1.001 444 F HN 0.018 nan 8.300 nan 0.000 0.479 445 E N -0.130 119.815 120.200 -0.425 0.000 2.110 445 E HA -0.275 4.072 4.350 -0.005 0.000 0.193 445 E C 2.277 178.430 176.600 -0.745 0.000 0.988 445 E CA 1.571 57.705 56.400 -0.443 0.000 0.804 445 E CB -0.289 29.385 29.700 -0.044 0.000 0.745 445 E HN 0.517 nan 8.360 nan 0.000 0.458 446 M N 0.550 119.557 119.600 -0.987 0.000 2.098 446 M HA -0.126 4.351 4.480 -0.005 0.000 0.262 446 M C 2.083 177.882 176.300 -0.835 0.000 1.072 446 M CA 1.363 55.770 55.300 -1.488 0.000 1.133 446 M CB 0.048 32.109 32.600 -0.897 0.000 1.344 446 M HN 0.111 nan 8.290 nan 0.000 0.414 447 L N 0.400 121.228 121.223 -0.659 0.000 2.079 447 L HA -0.226 4.111 4.340 -0.005 0.000 0.210 447 L C 2.498 179.022 176.870 -0.577 0.000 1.081 447 L CA 0.768 55.281 54.840 -0.545 0.000 0.752 447 L CB -0.859 40.929 42.059 -0.451 0.000 0.896 447 L HN 0.399 nan 8.230 nan 0.000 0.433 448 L N 0.136 120.891 121.223 -0.780 0.000 2.093 448 L HA -0.078 4.259 4.340 -0.005 0.000 0.208 448 L C 2.628 179.284 176.870 -0.357 0.000 1.085 448 L CA 1.819 56.274 54.840 -0.642 0.000 0.755 448 L CB -0.555 40.993 42.059 -0.851 0.000 0.904 448 L HN 0.112 nan 8.230 nan 0.000 0.435 449 A N -0.882 121.736 122.820 -0.338 0.000 1.902 449 A HA -0.242 4.075 4.320 -0.005 0.000 0.217 449 A C 2.245 179.621 177.584 -0.347 0.000 1.181 449 A CA 1.740 53.664 52.037 -0.189 0.000 0.623 449 A CB -1.146 17.974 19.000 0.201 0.000 0.818 449 A HN 0.535 nan 8.150 nan 0.000 0.443 450 F N 0.160 119.689 119.950 -0.700 0.000 2.102 450 F HA -0.198 4.326 4.527 -0.005 0.000 0.298 450 F C 2.253 177.717 175.800 -0.560 0.000 1.105 450 F CA 1.993 59.422 58.000 -0.950 0.000 1.239 450 F CB -0.176 38.158 39.000 -1.110 0.000 0.991 450 F HN 0.093 nan 8.300 nan 0.000 0.474 451 M N -0.194 119.149 119.600 -0.428 0.000 2.175 451 M HA -0.146 4.331 4.480 -0.005 0.000 0.264 451 M C 2.126 178.318 176.300 -0.181 0.000 1.063 451 M CA 1.751 56.795 55.300 -0.428 0.000 1.119 451 M CB -1.798 30.404 32.600 -0.664 0.000 1.377 451 M HN 0.105 nan 8.290 nan 0.000 0.415 452 T N 1.596 116.088 114.554 -0.103 0.000 2.720 452 T HA -0.151 4.196 4.350 -0.005 0.000 0.268 452 T C 1.867 176.496 174.700 -0.118 0.000 1.037 452 T CA 1.318 63.473 62.100 0.093 0.000 1.144 452 T CB -0.412 68.567 68.868 0.185 0.000 0.864 452 T HN 0.292 nan 8.240 nan 0.000 0.444 453 L N 1.158 122.102 121.223 -0.465 0.000 2.027 453 L HA 0.004 4.342 4.340 -0.005 0.000 0.206 453 L C 2.447 179.151 176.870 -0.277 0.000 1.074 453 L CA 1.368 55.902 54.840 -0.510 0.000 0.745 453 L CB -0.728 40.925 42.059 -0.676 0.000 0.898 453 L HN 0.035 nan 8.230 nan 0.000 0.433 454 V N 0.025 119.687 119.914 -0.421 0.000 2.324 454 V HA -0.341 3.776 4.120 -0.005 0.000 0.250 454 V C 2.733 178.810 176.094 -0.027 0.000 1.060 454 V CA 2.265 64.404 62.300 -0.268 0.000 1.042 454 V CB -0.603 31.021 31.823 -0.331 0.000 0.650 454 V HN 0.537 nan 8.190 nan 0.000 0.450 455 K N -0.131 120.284 120.400 0.025 0.000 2.021 455 K HA -0.096 4.221 4.320 -0.005 0.000 0.205 455 K C 2.166 178.802 176.600 0.060 0.000 1.047 455 K CA 1.443 57.762 56.287 0.054 0.000 0.943 455 K CB -0.331 32.193 32.500 0.040 0.000 0.725 455 K HN 0.493 nan 8.250 nan 0.000 0.439 456 Q N -1.372 118.465 119.800 0.062 0.000 2.119 456 Q HA -0.163 4.174 4.340 -0.005 0.000 0.201 456 Q C 1.628 177.700 176.000 0.120 0.000 0.972 456 Q CA 1.635 57.468 55.803 0.050 0.000 0.847 456 Q CB -0.137 28.585 28.738 -0.028 0.000 0.903 456 Q HN 0.383 nan 8.270 nan 0.000 0.433 457 Y N 0.050 120.350 120.300 -0.000 0.000 2.476 457 Y HA 0.173 4.720 4.550 -0.005 0.000 0.283 457 Y C 1.027 176.945 175.900 0.030 0.000 1.109 457 Y CA 0.808 58.917 58.100 0.016 0.000 1.246 457 Y CB 0.297 38.752 38.460 -0.008 0.000 1.068 457 Y HN 0.138 nan 8.280 nan 0.000 0.552 458 G N 2.724 111.567 108.800 0.072 0.000 2.370 458 G HA2 -0.248 3.709 3.960 -0.005 0.000 0.293 458 G HA3 -0.248 3.709 3.960 -0.005 0.000 0.293 458 G C -2.423 172.461 174.900 -0.025 0.000 0.992 458 G CA 0.015 45.125 45.100 0.016 0.000 1.247 458 G HN 0.381 nan 8.290 nan 0.000 0.505 459 P HA 0.211 nan 4.420 nan 0.000 0.271 459 P C 0.664 177.977 177.300 0.022 0.000 1.226 459 P CA 0.027 63.174 63.100 0.079 0.000 0.765 459 P CB 1.102 32.939 31.700 0.229 0.000 0.835 460 E N 1.813 121.979 120.200 -0.056 0.000 2.204 460 E HA -0.015 4.332 4.350 -0.005 0.000 0.194 460 E C -0.072 176.266 176.600 -0.436 0.000 0.989 460 E CA 1.347 57.538 56.400 -0.349 0.000 0.824 460 E CB -0.314 28.884 29.700 -0.837 0.000 0.756 460 E HN 0.473 nan 8.360 nan 0.000 0.477 461 F N -0.767 119.139 119.950 -0.073 0.000 2.540 461 F HA 0.480 5.005 4.527 -0.004 0.000 0.317 461 F C -0.441 175.389 175.800 0.049 0.000 1.104 461 F CA -1.171 56.829 58.000 0.000 0.000 0.913 461 F CB 1.735 40.718 39.000 -0.029 0.000 1.170 461 F HN -0.396 nan 8.300 nan 0.000 0.450 462 V N 1.566 121.641 119.914 0.268 0.000 2.789 462 V HA 0.792 4.910 4.120 -0.005 0.000 0.311 462 V C -0.435 175.829 176.094 0.284 0.000 1.073 462 V CA -0.485 61.987 62.300 0.286 0.000 0.921 462 V CB 2.354 34.407 31.823 0.385 0.000 1.009 462 V HN 0.870 nan 8.190 nan 0.000 0.426 463 T N 1.603 116.296 114.554 0.233 0.000 2.787 463 T HA 0.916 5.264 4.350 -0.005 0.000 0.297 463 T C -0.437 174.360 174.700 0.162 0.000 1.221 463 T CA 0.285 62.500 62.100 0.192 0.000 1.006 463 T CB 1.935 70.831 68.868 0.047 0.000 1.328 463 T HN 1.502 nan 8.240 nan 0.000 0.509 464 G N 0.175 109.045 108.800 0.116 0.000 2.321 464 G HA2 0.402 4.359 3.960 -0.005 0.000 0.296 464 G HA3 0.402 4.359 3.960 -0.005 0.000 0.296 464 G C -2.475 172.498 174.900 0.122 0.000 1.287 464 G CA -0.651 44.462 45.100 0.020 0.000 0.846 464 G HN 0.721 nan 8.290 nan 0.000 0.508 465 Y N 1.392 121.669 120.300 -0.039 0.000 2.345 465 Y HA 0.519 5.066 4.550 -0.004 0.000 0.331 465 Y C 0.843 176.732 175.900 -0.018 0.000 0.959 465 Y CA -0.141 57.981 58.100 0.036 0.000 1.204 465 Y CB 1.321 39.816 38.460 0.059 0.000 1.135 465 Y HN 0.751 nan 8.280 nan 0.000 0.477 466 N N 3.277 121.784 118.700 -0.321 0.000 2.782 466 N HA -0.257 4.480 4.740 -0.005 0.000 0.251 466 N C 0.747 176.225 175.510 -0.054 0.000 1.101 466 N CA 1.382 54.284 53.050 -0.246 0.000 0.764 466 N CB -1.302 36.995 38.487 -0.317 0.000 1.122 466 N HN 0.850 nan 8.380 nan 0.000 0.561 467 I N -3.385 117.149 120.570 -0.060 0.000 2.756 467 I HA -0.059 4.108 4.170 -0.005 0.000 0.262 467 I C 1.768 177.986 176.117 0.168 0.000 1.225 467 I CA 0.844 62.091 61.300 -0.089 0.000 1.472 467 I CB -0.256 37.557 38.000 -0.312 0.000 1.094 467 I HN 0.130 nan 8.210 nan 0.000 0.454 468 I N 1.567 122.259 120.570 0.203 0.000 2.480 468 I HA -0.100 4.067 4.170 -0.005 0.000 0.251 468 I C 1.914 178.139 176.117 0.180 0.000 1.124 468 I CA 0.791 62.241 61.300 0.250 0.000 1.444 468 I CB -0.395 37.736 38.000 0.219 0.000 1.098 468 I HN 0.244 nan 8.210 nan 0.000 0.428 469 N N -0.179 118.602 118.700 0.135 0.000 2.424 469 N HA -0.026 4.711 4.740 -0.005 0.000 0.178 469 N C 1.209 176.848 175.510 0.215 0.000 1.060 469 N CA 1.007 54.137 53.050 0.133 0.000 0.901 469 N CB 0.405 38.933 38.487 0.068 0.000 0.979 469 N HN 0.288 nan 8.380 nan 0.000 0.451 470 F N 0.768 120.743 119.950 0.042 0.000 2.182 470 F HA 0.193 4.717 4.527 -0.005 0.000 0.254 470 F C 1.012 176.861 175.800 0.082 0.000 0.972 470 F CA 0.129 58.164 58.000 0.059 0.000 1.182 470 F CB -0.262 38.732 39.000 -0.010 0.000 1.382 470 F HN -0.270 nan 8.300 nan 0.000 0.718 471 D N 0.251 120.530 120.400 -0.202 0.000 2.104 471 D HA -0.224 4.413 4.640 -0.005 0.000 0.194 471 D C 1.951 178.199 176.300 -0.087 0.000 0.994 471 D CA 2.157 55.952 54.000 -0.343 0.000 0.830 471 D CB -0.585 40.002 40.800 -0.356 0.000 0.959 471 D HN 0.449 nan 8.370 nan 0.000 0.452 472 W N 0.435 121.768 121.300 0.055 0.000 2.379 472 W HA -0.021 4.636 4.660 -0.005 0.000 0.307 472 W C -0.629 175.915 176.519 0.041 0.000 1.200 472 W CA 0.264 57.691 57.345 0.138 0.000 1.297 472 W CB -1.079 28.480 29.460 0.165 0.000 1.140 472 W HN 0.104 nan 8.180 nan 0.000 0.507 473 P HA -0.247 nan 4.420 nan 0.000 0.216 473 P C 1.329 178.656 177.300 0.045 0.000 1.150 473 P CA 1.637 64.804 63.100 0.111 0.000 0.843 473 P CB -0.366 31.380 31.700 0.078 0.000 0.787 474 F N -0.401 119.423 119.950 -0.209 0.000 2.146 474 F HA -0.122 4.402 4.527 -0.004 0.000 0.298 474 F C 2.135 177.853 175.800 -0.137 0.000 1.096 474 F CA 1.262 59.100 58.000 -0.269 0.000 1.275 474 F CB -0.639 38.018 39.000 -0.571 0.000 1.008 474 F HN -0.258 nan 8.300 nan 0.000 0.480 475 L N -0.274 121.041 121.223 0.153 0.000 2.012 475 L HA -0.271 4.066 4.340 -0.005 0.000 0.210 475 L C 2.339 179.266 176.870 0.094 0.000 1.073 475 L CA 1.295 56.206 54.840 0.119 0.000 0.748 475 L CB -0.794 41.354 42.059 0.149 0.000 0.891 475 L HN 0.212 nan 8.230 nan 0.000 0.431 476 L N -0.715 120.587 121.223 0.133 0.000 2.093 476 L HA -0.134 4.204 4.340 -0.005 0.000 0.208 476 L C 2.854 179.709 176.870 -0.025 0.000 1.085 476 L CA 0.941 55.819 54.840 0.063 0.000 0.755 476 L CB -0.800 41.309 42.059 0.084 0.000 0.904 476 L HN 0.221 nan 8.230 nan 0.000 0.435 477 A N -0.102 122.672 122.820 -0.077 0.000 1.930 477 A HA -0.155 4.162 4.320 -0.005 0.000 0.217 477 A C 2.372 179.874 177.584 -0.138 0.000 1.175 477 A CA 1.309 53.261 52.037 -0.141 0.000 0.627 477 A CB -0.215 18.646 19.000 -0.231 0.000 0.815 477 A HN 0.178 nan 8.150 nan 0.000 0.443 478 K N -0.249 120.079 120.400 -0.121 0.000 2.031 478 K HA 0.041 4.358 4.320 -0.005 0.000 0.205 478 K C 1.915 178.600 176.600 0.142 0.000 1.049 478 K CA 1.049 57.324 56.287 -0.021 0.000 0.939 478 K CB -0.595 31.948 32.500 0.072 0.000 0.717 478 K HN 0.532 nan 8.250 nan 0.000 0.438 479 L N 0.502 121.788 121.223 0.106 0.000 2.093 479 L HA -0.143 4.194 4.340 -0.005 0.000 0.208 479 L C 2.377 179.292 176.870 0.075 0.000 1.085 479 L CA 1.186 56.099 54.840 0.121 0.000 0.755 479 L CB -0.518 41.514 42.059 -0.045 0.000 0.904 479 L HN 0.152 nan 8.230 nan 0.000 0.435 480 T N -1.436 113.117 114.554 -0.002 0.000 2.755 480 T HA -0.151 4.196 4.350 -0.005 0.000 0.251 480 T C 1.509 176.190 174.700 -0.031 0.000 1.044 480 T CA 1.322 63.407 62.100 -0.026 0.000 1.154 480 T CB -0.109 68.723 68.868 -0.060 0.000 0.866 480 T HN 0.254 nan 8.240 nan 0.000 0.416 481 D N 0.592 120.952 120.400 -0.066 0.000 2.091 481 D HA -0.019 4.618 4.640 -0.005 0.000 0.199 481 D C 1.986 178.210 176.300 -0.125 0.000 0.980 481 D CA 0.862 54.809 54.000 -0.089 0.000 0.831 481 D CB -0.234 40.504 40.800 -0.104 0.000 0.987 481 D HN 0.165 nan 8.370 nan 0.000 0.460 482 I N -0.587 119.864 120.570 -0.198 0.000 2.235 482 I HA -0.160 4.007 4.170 -0.005 0.000 0.241 482 I C 1.647 177.487 176.117 -0.462 0.000 1.085 482 I CA 1.087 62.142 61.300 -0.408 0.000 1.378 482 I CB -0.417 37.179 38.000 -0.672 0.000 1.076 482 I HN 0.077 nan 8.210 nan 0.000 0.415 483 Y N 0.238 120.570 120.300 0.054 0.000 2.466 483 Y HA 0.135 4.683 4.550 -0.005 0.000 0.272 483 Y C 0.561 176.506 175.900 0.076 0.000 1.169 483 Y CA -0.472 57.678 58.100 0.083 0.000 1.285 483 Y CB -0.075 38.536 38.460 0.252 0.000 1.078 483 Y HN -0.076 nan 8.280 nan 0.000 0.523 484 K N -0.171 120.308 120.400 0.132 0.000 3.077 484 K HA -0.145 4.172 4.320 -0.005 0.000 0.264 484 K C -1.061 175.628 176.600 0.147 0.000 1.008 484 K CA 0.331 56.678 56.287 0.100 0.000 0.740 484 K CB -2.197 30.351 32.500 0.081 0.000 1.273 484 K HN 0.091 nan 8.250 nan 0.000 0.477 485 V N 1.698 121.688 119.914 0.127 0.000 2.383 485 V HA 0.333 4.450 4.120 -0.005 0.000 0.275 485 V C -1.435 174.634 176.094 -0.042 0.000 1.036 485 V CA -1.591 60.733 62.300 0.039 0.000 0.889 485 V CB 1.255 33.027 31.823 -0.084 0.000 0.985 485 V HN 0.144 nan 8.190 nan 0.000 0.459 486 P HA 0.266 nan 4.420 nan 0.000 0.275 486 P C -0.006 177.273 177.300 -0.035 0.000 1.228 486 P CA -0.137 62.953 63.100 -0.016 0.000 0.786 486 P CB 1.353 33.073 31.700 0.033 0.000 0.927 487 L N 1.039 122.220 121.223 -0.071 0.000 2.858 487 L HA 0.092 4.430 4.340 -0.005 0.000 0.251 487 L C 1.871 178.706 176.870 -0.058 0.000 1.149 487 L CA 0.045 54.800 54.840 -0.142 0.000 0.955 487 L CB -0.314 41.484 42.059 -0.434 0.000 1.289 487 L HN 0.372 nan 8.230 nan 0.000 0.542 488 D N 0.766 121.165 120.400 -0.003 0.000 2.311 488 D HA -0.162 4.475 4.640 -0.005 0.000 0.212 488 D C 1.582 177.902 176.300 0.032 0.000 0.972 488 D CA 1.395 55.414 54.000 0.031 0.000 0.887 488 D CB 0.139 40.947 40.800 0.012 0.000 0.915 488 D HN 0.342 nan 8.370 nan 0.000 0.497 489 G N -1.108 107.690 108.800 -0.004 0.000 2.986 489 G HA2 -0.029 3.929 3.960 -0.005 0.000 0.213 489 G HA3 -0.029 3.929 3.960 -0.005 0.000 0.213 489 G C 0.827 175.667 174.900 -0.099 0.000 1.156 489 G CA -0.306 44.772 45.100 -0.036 0.000 0.763 489 G HN 0.230 nan 8.290 nan 0.000 0.547 490 Y N 0.981 121.269 120.300 -0.020 0.000 2.511 490 Y HA 0.245 4.793 4.550 -0.005 0.000 0.279 490 Y C 2.172 178.161 175.900 0.148 0.000 1.157 490 Y CA -0.091 57.974 58.100 -0.058 0.000 1.300 490 Y CB 0.594 38.839 38.460 -0.358 0.000 1.052 490 Y HN 0.225 nan 8.280 nan 0.000 0.529 491 G N -0.258 108.740 108.800 0.331 0.000 2.630 491 G HA2 0.102 4.059 3.960 -0.005 0.000 0.223 491 G HA3 0.102 4.059 3.960 -0.005 0.000 0.223 491 G C 0.745 175.692 174.900 0.078 0.000 1.434 491 G CA -0.314 44.911 45.100 0.209 0.000 1.057 491 G HN 0.105 nan 8.290 nan 0.000 0.570 492 R N -0.975 119.549 120.500 0.039 0.000 2.115 492 R HA 0.169 4.506 4.340 -0.005 0.000 0.226 492 R C 1.508 177.812 176.300 0.006 0.000 1.100 492 R CA 0.571 56.683 56.100 0.021 0.000 0.980 492 R CB -0.525 29.784 30.300 0.016 0.000 0.875 492 R HN 0.421 nan 8.270 nan 0.000 0.445 493 M N 0.988 120.590 119.600 0.003 0.000 2.243 493 M HA 0.058 4.535 4.480 -0.005 0.000 0.341 493 M C 0.460 176.745 176.300 -0.025 0.000 1.130 493 M CA 0.476 55.772 55.300 -0.006 0.000 1.162 493 M CB 0.868 33.467 32.600 -0.002 0.000 1.497 493 M HN 0.179 nan 8.290 nan 0.000 0.456 494 N N 0.345 119.000 118.700 -0.075 0.000 2.461 494 N HA 0.182 4.919 4.740 -0.005 0.000 0.188 494 N C 0.113 175.554 175.510 -0.115 0.000 1.134 494 N CA -0.161 52.791 53.050 -0.162 0.000 0.878 494 N CB 0.320 38.477 38.487 -0.551 0.000 0.972 494 N HN 0.787 nan 8.380 nan 0.000 0.456 495 G N -0.655 108.110 108.800 -0.059 0.000 2.355 495 G HA2 0.269 4.226 3.960 -0.005 0.000 0.296 495 G HA3 0.269 4.226 3.960 -0.005 0.000 0.296 495 G C -0.757 174.137 174.900 -0.011 0.000 1.507 495 G CA -1.094 43.983 45.100 -0.037 0.000 0.823 495 G HN 0.114 nan 8.290 nan 0.000 0.569 496 R N -1.942 118.558 120.500 -0.000 0.000 3.875 496 R HA -0.159 4.178 4.340 -0.005 0.000 0.321 496 R C 0.937 177.246 176.300 0.015 0.000 1.196 496 R CA 1.210 57.317 56.100 0.011 0.000 0.868 496 R CB -1.617 28.692 30.300 0.015 0.000 1.333 496 R HN 1.430 nan 8.270 nan 0.000 0.522 497 G N -0.405 108.408 108.800 0.021 0.000 2.437 497 G HA2 0.561 4.518 3.960 -0.005 0.000 0.319 497 G HA3 0.561 4.518 3.960 -0.005 0.000 0.319 497 G C -0.259 174.663 174.900 0.036 0.000 1.158 497 G CA -0.551 44.563 45.100 0.025 0.000 0.899 497 G HN 0.008 nan 8.290 nan 0.000 0.502 498 V N 0.847 120.767 119.914 0.009 0.000 2.583 498 V HA 0.346 4.463 4.120 -0.005 0.000 0.287 498 V C 0.239 176.328 176.094 -0.007 0.000 1.051 498 V CA 0.288 62.580 62.300 -0.013 0.000 1.010 498 V CB 1.184 32.974 31.823 -0.055 0.000 0.988 498 V HN 0.772 nan 8.190 nan 0.000 0.478 499 F N 3.555 123.415 119.950 -0.149 0.000 2.102 499 F HA 0.395 4.919 4.527 -0.005 0.000 0.254 499 F C 1.032 176.678 175.800 -0.257 0.000 0.975 499 F CA -0.255 57.629 58.000 -0.194 0.000 1.176 499 F CB 0.514 39.424 39.000 -0.151 0.000 1.358 499 F HN 0.365 nan 8.300 nan 0.000 0.728 500 R N 0.504 120.991 120.500 -0.021 0.000 2.643 500 R HA 0.700 5.037 4.340 -0.005 0.000 0.272 500 R C -1.301 174.818 176.300 -0.301 0.000 0.995 500 R CA -0.686 55.298 56.100 -0.193 0.000 1.032 500 R CB 1.963 32.147 30.300 -0.193 0.000 1.126 500 R HN 0.034 nan 8.270 nan 0.000 0.505 501 V N -0.055 119.636 119.914 -0.371 0.000 3.226 501 V HA 0.457 4.574 4.120 -0.005 0.000 0.304 501 V C -0.874 174.957 176.094 -0.438 0.000 1.336 501 V CA -0.959 61.089 62.300 -0.421 0.000 1.066 501 V CB 1.818 33.514 31.823 -0.211 0.000 1.087 501 V HN 0.652 nan 8.190 nan 0.000 0.451 502 W N 0.353 121.571 121.300 -0.136 0.000 1.833 502 W HA 0.458 5.115 4.660 -0.005 0.000 0.390 502 W C -0.063 176.405 176.519 -0.085 0.000 1.680 502 W CA 0.006 57.297 57.345 -0.090 0.000 1.828 502 W CB 0.304 29.727 29.460 -0.062 0.000 1.357 502 W HN 0.539 nan 8.180 nan 0.000 0.720 503 D N -0.793 119.729 120.400 0.204 0.000 2.531 503 D HA 0.296 4.933 4.640 -0.005 0.000 0.244 503 D C -0.774 175.602 176.300 0.127 0.000 1.090 503 D CA -0.699 53.361 54.000 0.099 0.000 0.989 503 D CB 2.701 43.522 40.800 0.035 0.000 1.433 503 D HN -0.085 nan 8.370 nan 0.000 0.492 504 I N 0.586 121.209 120.570 0.087 0.000 2.752 504 I HA 0.213 4.380 4.170 -0.005 0.000 0.287 504 I C 1.266 177.418 176.117 0.059 0.000 1.188 504 I CA 0.349 61.691 61.300 0.071 0.000 1.427 504 I CB -0.138 37.894 38.000 0.054 0.000 1.365 504 I HN 0.551 nan 8.210 nan 0.000 0.585 505 G N 4.632 113.453 108.800 0.035 0.000 2.487 505 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.243 505 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.243 505 G C -0.424 174.502 174.900 0.044 0.000 0.918 505 G CA -0.481 44.631 45.100 0.020 0.000 1.260 505 G HN 0.703 nan 8.290 nan 0.000 0.408 506 Q N 0.310 120.125 119.800 0.026 0.000 2.443 506 Q HA 0.310 4.648 4.340 -0.005 0.000 0.241 506 Q C 0.089 176.070 176.000 -0.030 0.000 0.880 506 Q CA -0.301 55.535 55.803 0.055 0.000 0.974 506 Q CB 1.535 30.376 28.738 0.172 0.000 1.482 506 Q HN 0.991 nan 8.270 nan 0.000 0.448 507 S N 1.612 117.313 115.700 0.001 0.000 2.555 507 S HA -0.012 4.456 4.470 -0.005 0.000 0.293 507 S C 0.751 175.355 174.600 0.006 0.000 1.248 507 S CA -0.116 58.078 58.200 -0.009 0.000 1.096 507 S CB 0.332 63.555 63.200 0.038 0.000 0.881 507 S HN 0.572 nan 8.310 nan 0.000 0.498 508 H N 1.896 120.716 119.070 -0.416 0.000 2.492 508 H HA -0.095 4.458 4.556 -0.005 0.000 0.296 508 H C 1.277 176.624 175.328 0.031 0.000 1.095 508 H CA 1.031 56.667 56.048 -0.687 0.000 1.281 508 H CB -0.498 28.790 29.762 -0.790 0.000 1.374 508 H HN 0.826 nan 8.280 nan 0.000 0.545 509 F N 1.562 121.554 119.950 0.071 0.000 2.085 509 F HA -0.271 4.253 4.527 -0.005 0.000 0.299 509 F C 1.105 177.010 175.800 0.175 0.000 1.096 509 F CA 1.232 59.296 58.000 0.106 0.000 1.227 509 F CB -0.103 38.926 39.000 0.048 0.000 0.983 509 F HN 0.133 nan 8.300 nan 0.000 0.482 510 Q N 1.799 121.835 119.800 0.393 0.000 2.474 510 Q HA 0.028 4.365 4.340 -0.005 0.000 0.256 510 Q C -0.140 176.018 176.000 0.263 0.000 1.048 510 Q CA -0.071 55.907 55.803 0.292 0.000 0.922 510 Q CB 0.310 29.260 28.738 0.352 0.000 1.288 510 Q HN 0.342 nan 8.270 nan 0.000 0.484 511 K N 1.350 121.802 120.400 0.087 0.000 2.436 511 K HA 0.033 4.350 4.320 -0.005 0.000 0.275 511 K C -0.160 176.368 176.600 -0.120 0.000 0.999 511 K CA 0.205 56.477 56.287 -0.025 0.000 0.980 511 K CB 0.295 32.758 32.500 -0.063 0.000 0.919 511 K HN 0.224 nan 8.250 nan 0.000 0.484 512 R N 1.514 121.735 120.500 -0.464 0.000 2.345 512 R HA -0.024 4.313 4.340 -0.005 0.000 0.331 512 R C 0.570 176.669 176.300 -0.336 0.000 1.067 512 R CA 0.119 55.789 56.100 -0.716 0.000 0.962 512 R CB 0.167 29.867 30.300 -0.999 0.000 0.987 512 R HN 0.753 nan 8.270 nan 0.000 0.451 513 S N 1.410 116.986 115.700 -0.206 0.000 2.603 513 S HA 0.147 4.614 4.470 -0.005 0.000 0.232 513 S C 0.328 174.871 174.600 -0.094 0.000 1.016 513 S CA -0.552 57.583 58.200 -0.108 0.000 0.976 513 S CB 0.491 63.668 63.200 -0.038 0.000 0.921 513 S HN 0.219 nan 8.310 nan 0.000 0.516 514 K N 1.414 121.725 120.400 -0.148 0.000 2.126 514 K HA 0.391 4.708 4.320 -0.005 0.000 0.257 514 K C -0.589 175.866 176.600 -0.242 0.000 1.007 514 K CA -0.521 55.676 56.287 -0.149 0.000 0.928 514 K CB 0.773 33.194 32.500 -0.131 0.000 1.013 514 K HN 0.206 nan 8.250 nan 0.000 0.473 515 I N 2.277 122.672 120.570 -0.291 0.000 2.359 515 I HA 0.173 4.340 4.170 -0.005 0.000 0.284 515 I C -0.673 175.168 176.117 -0.460 0.000 1.018 515 I CA -0.412 60.653 61.300 -0.392 0.000 1.173 515 I CB 0.828 38.620 38.000 -0.345 0.000 1.326 515 I HN 0.453 nan 8.210 nan 0.000 0.462 516 K N 5.689 125.823 120.400 -0.442 0.000 2.637 516 K HA 0.476 4.793 4.320 -0.005 0.000 0.248 516 K C -1.604 174.757 176.600 -0.399 0.000 0.971 516 K CA -0.425 55.662 56.287 -0.333 0.000 0.858 516 K CB 2.097 34.427 32.500 -0.283 0.000 1.170 516 K HN 0.268 nan 8.250 nan 0.000 0.443 517 V N 4.202 123.857 119.914 -0.432 0.000 2.334 517 V HA 0.160 4.277 4.120 -0.005 0.000 0.281 517 V C -0.355 175.575 176.094 -0.273 0.000 1.016 517 V CA -1.173 60.785 62.300 -0.570 0.000 0.832 517 V CB 0.955 32.238 31.823 -0.901 0.000 0.999 517 V HN 0.865 nan 8.190 nan 0.000 0.439 518 N N 3.772 122.368 118.700 -0.174 0.000 2.365 518 N HA 0.297 5.035 4.740 -0.005 0.000 0.265 518 N C 1.059 176.519 175.510 -0.084 0.000 1.288 518 N CA 0.926 53.916 53.050 -0.100 0.000 0.869 518 N CB 0.568 39.020 38.487 -0.059 0.000 1.071 518 N HN 1.096 nan 8.380 nan 0.000 0.480 519 G N 1.333 110.077 108.800 -0.093 0.000 2.157 519 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.248 519 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.248 519 G C -0.163 174.751 174.900 0.023 0.000 0.979 519 G CA 0.343 45.407 45.100 -0.060 0.000 0.650 519 G HN 0.812 nan 8.290 nan 0.000 0.529 520 M N 1.105 120.678 119.600 -0.046 0.000 2.204 520 M HA 0.598 5.075 4.480 -0.005 0.000 0.293 520 M C -0.838 175.414 176.300 -0.081 0.000 0.994 520 M CA -0.745 54.517 55.300 -0.064 0.000 0.925 520 M CB 2.099 34.653 32.600 -0.076 0.000 1.577 520 M HN -0.009 nan 8.290 nan 0.000 0.439 521 V N 4.904 124.727 119.914 -0.151 0.000 2.339 521 V HA 0.248 4.365 4.120 -0.005 0.000 0.261 521 V C -0.222 175.916 176.094 0.075 0.000 1.058 521 V CA -0.539 61.710 62.300 -0.085 0.000 0.897 521 V CB 0.136 31.813 31.823 -0.243 0.000 1.052 521 V HN 0.820 nan 8.190 nan 0.000 0.480 522 N N 4.680 123.461 118.700 0.136 0.000 2.430 522 N HA 0.471 5.209 4.740 -0.005 0.000 0.265 522 N C -0.647 175.002 175.510 0.231 0.000 1.100 522 N CA -0.055 53.145 53.050 0.250 0.000 0.961 522 N CB 0.837 39.498 38.487 0.290 0.000 1.075 522 N HN 0.605 nan 8.380 nan 0.000 0.478 523 I N 1.275 122.010 120.570 0.275 0.000 2.420 523 I HA 0.166 4.333 4.170 -0.005 0.000 0.282 523 I C -0.502 175.760 176.117 0.242 0.000 1.019 523 I CA -0.783 60.662 61.300 0.242 0.000 1.130 523 I CB 1.237 39.431 38.000 0.323 0.000 1.262 523 I HN 0.376 nan 8.210 nan 0.000 0.454 524 D N 6.923 127.434 120.400 0.185 0.000 2.317 524 D HA 0.171 4.808 4.640 -0.005 0.000 0.252 524 D C 0.909 177.283 176.300 0.123 0.000 1.174 524 D CA -0.258 53.833 54.000 0.153 0.000 0.866 524 D CB 1.244 42.126 40.800 0.137 0.000 1.127 524 D HN 0.365 nan 8.370 nan 0.000 0.467 525 M N 3.574 123.279 119.600 0.175 0.000 2.319 525 M HA -0.157 4.321 4.480 -0.005 0.000 0.265 525 M C 1.491 177.870 176.300 0.132 0.000 1.068 525 M CA 0.614 56.045 55.300 0.218 0.000 1.118 525 M CB -0.954 31.884 32.600 0.397 0.000 1.395 525 M HN 0.567 nan 8.290 nan 0.000 0.435 526 Y N 1.477 121.563 120.300 -0.357 0.000 2.102 526 Y HA -0.234 4.313 4.550 -0.005 0.000 0.280 526 Y C 2.312 178.070 175.900 -0.236 0.000 1.178 526 Y CA 2.042 59.798 58.100 -0.573 0.000 1.146 526 Y CB -0.880 37.134 38.460 -0.743 0.000 0.968 526 Y HN 0.245 nan 8.280 nan 0.000 0.504 527 G N 0.079 108.775 108.800 -0.174 0.000 2.408 527 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.217 527 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.217 527 G C 1.594 176.355 174.900 -0.231 0.000 1.150 527 G CA 1.006 45.968 45.100 -0.230 0.000 0.776 527 G HN 0.397 nan 8.290 nan 0.000 0.542 528 I N 1.262 121.740 120.570 -0.155 0.000 2.252 528 I HA -0.069 4.098 4.170 -0.005 0.000 0.245 528 I C 2.688 178.632 176.117 -0.289 0.000 1.102 528 I CA 0.712 61.894 61.300 -0.197 0.000 1.385 528 I CB -0.781 37.125 38.000 -0.157 0.000 1.064 528 I HN 0.074 nan 8.210 nan 0.000 0.414 529 I N 1.283 121.728 120.570 -0.209 0.000 2.202 529 I HA -0.235 3.932 4.170 -0.005 0.000 0.242 529 I C 2.753 178.771 176.117 -0.165 0.000 1.091 529 I CA 2.053 63.260 61.300 -0.154 0.000 1.368 529 I CB -1.785 36.302 38.000 0.145 0.000 1.058 529 I HN 0.308 nan 8.210 nan 0.000 0.410 530 T N -1.729 112.585 114.554 -0.400 0.000 3.025 530 T HA -0.116 4.231 4.350 -0.005 0.000 0.270 530 T C 0.970 175.472 174.700 -0.330 0.000 1.126 530 T CA 1.060 62.788 62.100 -0.619 0.000 1.105 530 T CB -0.331 67.927 68.868 -1.017 0.000 0.884 530 T HN 0.205 nan 8.240 nan 0.000 0.522 531 D N 0.442 120.686 120.400 -0.260 0.000 2.368 531 D HA 0.266 4.903 4.640 -0.005 0.000 0.218 531 D C 1.354 177.561 176.300 -0.156 0.000 1.112 531 D CA 0.138 54.028 54.000 -0.182 0.000 0.834 531 D CB 0.436 41.133 40.800 -0.171 0.000 0.953 531 D HN 0.466 nan 8.370 nan 0.000 0.505 532 K N -0.376 119.926 120.400 -0.164 0.000 2.544 532 K HA 0.202 4.519 4.320 -0.005 0.000 0.213 532 K C -0.021 176.549 176.600 -0.050 0.000 1.392 532 K CA 0.119 56.318 56.287 -0.147 0.000 0.980 532 K CB 1.980 34.284 32.500 -0.327 0.000 1.177 532 K HN -0.062 nan 8.250 nan 0.000 0.570 533 I N 1.428 122.003 120.570 0.008 0.000 2.582 533 I HA 0.328 4.496 4.170 -0.005 0.000 0.292 533 I C -0.658 175.545 176.117 0.145 0.000 1.066 533 I CA -1.037 60.306 61.300 0.073 0.000 1.053 533 I CB 1.712 39.766 38.000 0.090 0.000 1.241 533 I HN -0.206 nan 8.210 nan 0.000 0.421 534 K N 4.905 125.357 120.400 0.087 0.000 2.276 534 K HA 0.751 5.068 4.320 -0.005 0.000 0.283 534 K C -1.091 175.489 176.600 -0.034 0.000 1.044 534 K CA 0.050 56.390 56.287 0.088 0.000 0.944 534 K CB 0.740 33.265 32.500 0.042 0.000 1.012 534 K HN 0.569 nan 8.250 nan 0.000 0.472 535 L N 1.567 122.673 121.223 -0.195 0.000 2.479 535 L HA 0.306 4.643 4.340 -0.005 0.000 0.255 535 L C 0.650 177.305 176.870 -0.359 0.000 1.026 535 L CA -0.625 53.988 54.840 -0.379 0.000 0.842 535 L CB 2.077 43.752 42.059 -0.640 0.000 1.444 535 L HN 0.600 nan 8.230 nan 0.000 0.409 536 S N -0.410 115.147 115.700 -0.239 0.000 2.377 536 S HA -0.004 4.463 4.470 -0.005 0.000 0.223 536 S C 0.522 175.044 174.600 -0.129 0.000 1.030 536 S CA 1.081 59.201 58.200 -0.134 0.000 0.970 536 S CB 0.135 63.284 63.200 -0.085 0.000 0.830 536 S HN 0.706 nan 8.310 nan 0.000 0.473 537 S N -0.930 114.661 115.700 -0.183 0.000 2.568 537 S HA 0.559 5.027 4.470 -0.005 0.000 0.293 537 S C -0.654 173.830 174.600 -0.193 0.000 1.089 537 S CA -0.665 57.481 58.200 -0.089 0.000 0.945 537 S CB 1.038 64.236 63.200 -0.003 0.000 1.077 537 S HN 0.295 nan 8.310 nan 0.000 0.485 538 Y N 0.572 120.961 120.300 0.148 0.000 2.555 538 Y HA 0.391 4.939 4.550 -0.005 0.000 0.259 538 Y C 0.849 176.945 175.900 0.327 0.000 1.179 538 Y CA -0.743 57.505 58.100 0.247 0.000 1.230 538 Y CB 0.418 39.057 38.460 0.300 0.000 1.146 538 Y HN 0.396 nan 8.280 nan 0.000 0.526 539 K N 1.174 121.744 120.400 0.283 0.000 2.561 539 K HA -0.105 4.212 4.320 -0.005 0.000 0.280 539 K C 1.144 177.805 176.600 0.103 0.000 0.975 539 K CA 0.110 56.510 56.287 0.190 0.000 1.024 539 K CB 0.656 33.211 32.500 0.091 0.000 0.883 539 K HN 0.252 nan 8.250 nan 0.000 0.496 540 L N 4.177 125.398 121.223 -0.004 0.000 2.012 540 L HA -0.304 4.033 4.340 -0.005 0.000 0.210 540 L C 1.764 178.559 176.870 -0.124 0.000 1.073 540 L CA 2.179 56.864 54.840 -0.257 0.000 0.748 540 L CB -0.831 41.046 42.059 -0.304 0.000 0.891 540 L HN 0.815 nan 8.230 nan 0.000 0.431 541 N N 0.157 118.831 118.700 -0.043 0.000 2.120 541 N HA -0.147 4.590 4.740 -0.005 0.000 0.188 541 N C 1.772 177.274 175.510 -0.013 0.000 1.024 541 N CA 1.729 54.769 53.050 -0.016 0.000 0.852 541 N CB -1.140 37.353 38.487 0.010 0.000 1.003 541 N HN 0.351 nan 8.380 nan 0.000 0.424 542 A N 0.660 123.474 122.820 -0.010 0.000 1.948 542 A HA -0.110 4.207 4.320 -0.005 0.000 0.220 542 A C 2.387 179.957 177.584 -0.023 0.000 1.177 542 A CA 2.007 54.032 52.037 -0.019 0.000 0.636 542 A CB -1.020 17.965 19.000 -0.026 0.000 0.815 542 A HN 0.208 nan 8.150 nan 0.000 0.449 543 V N -0.439 119.466 119.914 -0.016 0.000 2.379 543 V HA -0.173 3.944 4.120 -0.005 0.000 0.245 543 V C 3.040 179.141 176.094 0.011 0.000 1.044 543 V CA 1.684 63.988 62.300 0.008 0.000 1.036 543 V CB -1.319 30.524 31.823 0.034 0.000 0.664 543 V HN 0.623 nan 8.190 nan 0.000 0.453 544 A N -0.032 122.779 122.820 -0.014 0.000 1.917 544 A HA -0.335 3.982 4.320 -0.005 0.000 0.219 544 A C 2.257 179.847 177.584 0.010 0.000 1.182 544 A CA 2.450 54.487 52.037 0.000 0.000 0.633 544 A CB -0.532 18.463 19.000 -0.008 0.000 0.819 544 A HN 0.669 nan 8.150 nan 0.000 0.448 545 E N -0.408 119.794 120.200 0.003 0.000 2.006 545 E HA -0.063 4.284 4.350 -0.005 0.000 0.192 545 E C 2.240 178.842 176.600 0.004 0.000 0.993 545 E CA 1.130 57.532 56.400 0.003 0.000 0.808 545 E CB -0.361 29.337 29.700 -0.003 0.000 0.764 545 E HN 0.479 nan 8.360 nan 0.000 0.449 546 A N 0.469 123.289 122.820 0.000 0.000 1.869 546 A HA -0.225 4.092 4.320 -0.005 0.000 0.218 546 A C 2.416 180.016 177.584 0.026 0.000 1.203 546 A CA 2.304 54.344 52.037 0.005 0.000 0.638 546 A CB -0.927 18.069 19.000 -0.007 0.000 0.831 546 A HN 0.271 nan 8.150 nan 0.000 0.450 547 V N -1.242 118.700 119.914 0.047 0.000 2.426 547 V HA -0.044 4.073 4.120 -0.005 0.000 0.242 547 V C 1.992 178.106 176.094 0.034 0.000 1.036 547 V CA 1.591 63.935 62.300 0.072 0.000 1.044 547 V CB -0.543 31.369 31.823 0.148 0.000 0.688 547 V HN 0.450 nan 8.190 nan 0.000 0.462 548 L N -0.639 120.601 121.223 0.028 0.000 2.628 548 L HA 0.282 4.620 4.340 -0.005 0.000 0.229 548 L C 0.837 177.714 176.870 0.010 0.000 1.137 548 L CA 0.363 55.210 54.840 0.012 0.000 0.909 548 L CB -0.689 41.381 42.059 0.019 0.000 1.137 548 L HN 0.205 nan 8.230 nan 0.000 0.470 549 K N 1.123 121.529 120.400 0.011 0.000 3.156 549 K HA -0.197 4.120 4.320 -0.005 0.000 0.266 549 K C -0.859 175.746 176.600 0.007 0.000 0.966 549 K CA 0.675 56.966 56.287 0.007 0.000 0.719 549 K CB -1.331 31.171 32.500 0.003 0.000 1.333 549 K HN 0.348 nan 8.250 nan 0.000 0.468 550 D N 1.191 121.597 120.400 0.010 0.000 2.686 550 D HA 0.161 4.798 4.640 -0.005 0.000 0.249 550 D C -0.581 175.727 176.300 0.014 0.000 1.260 550 D CA -0.658 53.349 54.000 0.012 0.000 0.910 550 D CB 1.363 42.172 40.800 0.015 0.000 1.323 550 D HN -0.004 nan 8.370 nan 0.000 0.561 551 K N 1.577 121.985 120.400 0.014 0.000 2.201 551 K HA 0.430 4.747 4.320 -0.005 0.000 0.278 551 K C 0.013 176.628 176.600 0.025 0.000 1.027 551 K CA -0.675 55.622 56.287 0.017 0.000 0.909 551 K CB 1.058 33.566 32.500 0.014 0.000 1.062 551 K HN 0.233 nan 8.250 nan 0.000 0.465 552 K N 1.234 121.655 120.400 0.035 0.000 2.468 552 K HA 0.354 4.671 4.320 -0.005 0.000 0.252 552 K C -0.945 175.704 176.600 0.083 0.000 0.932 552 K CA -0.929 55.389 56.287 0.051 0.000 0.794 552 K CB 1.580 34.107 32.500 0.045 0.000 1.241 552 K HN 0.171 nan 8.250 nan 0.000 0.428 553 K N 1.240 121.713 120.400 0.122 0.000 2.187 553 K HA 0.098 4.415 4.320 -0.005 0.000 0.247 553 K C -0.509 176.248 176.600 0.263 0.000 1.019 553 K CA -0.157 56.233 56.287 0.173 0.000 0.893 553 K CB 0.381 33.006 32.500 0.209 0.000 1.025 553 K HN 0.683 nan 8.250 nan 0.000 0.500 554 D N 0.164 120.639 120.400 0.126 0.000 2.414 554 D HA 0.444 5.082 4.640 -0.005 0.000 0.241 554 D C -1.707 174.396 176.300 -0.328 0.000 1.008 554 D CA -0.632 53.362 54.000 -0.010 0.000 1.001 554 D CB 1.222 42.003 40.800 -0.032 0.000 1.277 554 D HN 0.046 nan 8.370 nan 0.000 0.538 555 L N 1.263 122.219 121.223 -0.444 0.000 2.404 555 L HA 0.391 4.728 4.340 -0.005 0.000 0.272 555 L C -0.666 176.003 176.870 -0.335 0.000 0.980 555 L CA -0.472 54.032 54.840 -0.560 0.000 0.836 555 L CB 1.356 42.905 42.059 -0.849 0.000 1.238 555 L HN 0.287 nan 8.230 nan 0.000 0.408 556 S N 3.068 118.569 115.700 -0.332 0.000 2.549 556 S HA 0.114 4.581 4.470 -0.005 0.000 0.279 556 S C 1.237 175.630 174.600 -0.346 0.000 1.321 556 S CA 0.188 58.193 58.200 -0.325 0.000 1.054 556 S CB 0.317 63.289 63.200 -0.380 0.000 0.899 556 S HN 0.591 nan 8.310 nan 0.000 0.497 557 Y N 4.543 124.757 120.300 -0.143 0.000 2.241 557 Y HA -0.114 4.433 4.550 -0.005 0.000 0.286 557 Y C 1.936 177.762 175.900 -0.124 0.000 1.166 557 Y CA 1.408 59.432 58.100 -0.127 0.000 1.203 557 Y CB -0.608 37.803 38.460 -0.082 0.000 0.977 557 Y HN 0.663 nan 8.280 nan 0.000 0.529 558 R N 0.570 120.558 120.500 -0.855 0.000 2.152 558 R HA -0.139 4.198 4.340 -0.005 0.000 0.232 558 R C 1.398 177.525 176.300 -0.287 0.000 1.117 558 R CA 1.455 57.248 56.100 -0.510 0.000 0.981 558 R CB -0.322 29.636 30.300 -0.569 0.000 0.870 558 R HN 0.511 nan 8.270 nan 0.000 0.451 559 D N 0.487 120.666 120.400 -0.369 0.000 2.213 559 D HA -0.020 4.617 4.640 -0.005 0.000 0.205 559 D C 1.906 177.958 176.300 -0.414 0.000 0.961 559 D CA 0.615 54.344 54.000 -0.451 0.000 0.853 559 D CB 0.042 40.395 40.800 -0.746 0.000 0.967 559 D HN 0.155 nan 8.370 nan 0.000 0.496 560 I N 1.650 122.044 120.570 -0.294 0.000 2.145 560 I HA -0.251 3.916 4.170 -0.005 0.000 0.244 560 I C -0.726 175.425 176.117 0.057 0.000 1.075 560 I CA 1.429 62.660 61.300 -0.116 0.000 1.332 560 I CB -0.978 36.991 38.000 -0.053 0.000 1.033 560 I HN 0.028 nan 8.210 nan 0.000 0.410 561 P HA -0.217 nan 4.420 nan 0.000 0.215 561 P C 1.458 178.853 177.300 0.158 0.000 1.157 561 P CA 2.076 65.236 63.100 0.099 0.000 0.874 561 P CB -0.074 31.660 31.700 0.056 0.000 0.790 562 A N -1.565 121.331 122.820 0.127 0.000 1.877 562 A HA -0.235 4.082 4.320 -0.005 0.000 0.216 562 A C 2.136 179.886 177.584 0.278 0.000 1.186 562 A CA 1.483 53.623 52.037 0.171 0.000 0.620 562 A CB -1.950 17.137 19.000 0.146 0.000 0.822 562 A HN 0.070 nan 8.150 nan 0.000 0.443 563 Y N -1.508 118.819 120.300 0.046 0.000 2.081 563 Y HA -0.269 4.278 4.550 -0.005 0.000 0.280 563 Y C 2.351 178.290 175.900 0.064 0.000 1.163 563 Y CA 1.137 59.262 58.100 0.042 0.000 1.135 563 Y CB -1.485 36.996 38.460 0.036 0.000 0.970 563 Y HN 0.518 nan 8.280 nan 0.000 0.498 564 Y N -0.008 120.403 120.300 0.186 0.000 2.256 564 Y HA -0.217 4.330 4.550 -0.005 0.000 0.288 564 Y C 2.334 178.280 175.900 0.077 0.000 1.155 564 Y CA 1.627 59.791 58.100 0.107 0.000 1.203 564 Y CB -0.290 38.219 38.460 0.082 0.000 0.980 564 Y HN 0.059 nan 8.280 nan 0.000 0.530 565 A N -1.367 121.568 122.820 0.193 0.000 2.132 565 A HA 0.054 4.371 4.320 -0.005 0.000 0.213 565 A C 2.206 179.806 177.584 0.026 0.000 1.154 565 A CA 1.303 53.407 52.037 0.110 0.000 0.753 565 A CB -1.432 17.653 19.000 0.141 0.000 0.826 565 A HN 0.540 nan 8.150 nan 0.000 0.469 566 T N -1.641 112.922 114.554 0.015 0.000 2.951 566 T HA 0.414 4.761 4.350 -0.005 0.000 0.268 566 T C 1.318 175.986 174.700 -0.053 0.000 1.073 566 T CA 1.930 64.020 62.100 -0.017 0.000 1.134 566 T CB -0.212 68.636 68.868 -0.034 0.000 0.884 566 T HN 1.673 nan 8.240 nan 0.000 0.479 567 G N -0.243 108.502 108.800 -0.092 0.000 2.346 567 G HA2 0.259 4.216 3.960 -0.005 0.000 0.294 567 G HA3 0.259 4.216 3.960 -0.005 0.000 0.294 567 G C -2.444 172.378 174.900 -0.131 0.000 1.294 567 G CA 0.017 45.053 45.100 -0.108 0.000 0.962 567 G HN -0.074 nan 8.290 nan 0.000 0.508 568 P HA 0.002 nan 4.420 nan 0.000 0.218 568 P C 1.984 179.233 177.300 -0.085 0.000 1.149 568 P CA 2.544 65.583 63.100 -0.101 0.000 0.817 568 P CB -0.111 31.538 31.700 -0.084 0.000 0.785 569 A N 0.317 123.086 122.820 -0.084 0.000 1.858 569 A HA -0.203 4.114 4.320 -0.005 0.000 0.216 569 A C 2.421 179.944 177.584 -0.101 0.000 1.190 569 A CA 1.440 53.428 52.037 -0.081 0.000 0.617 569 A CB -1.300 17.651 19.000 -0.081 0.000 0.827 569 A HN 0.106 nan 8.150 nan 0.000 0.443 570 Q N -0.736 118.982 119.800 -0.137 0.000 2.083 570 Q HA -0.084 4.253 4.340 -0.005 0.000 0.198 570 Q C 2.258 178.210 176.000 -0.079 0.000 0.969 570 Q CA 1.140 56.821 55.803 -0.204 0.000 0.838 570 Q CB -0.215 28.360 28.738 -0.272 0.000 0.900 570 Q HN 0.638 nan 8.270 nan 0.000 0.436 571 R N -0.197 120.262 120.500 -0.067 0.000 2.159 571 R HA -0.110 4.227 4.340 -0.005 0.000 0.237 571 R C 2.235 178.545 176.300 0.016 0.000 1.131 571 R CA 1.078 57.164 56.100 -0.023 0.000 0.982 571 R CB -0.385 29.831 30.300 -0.140 0.000 0.868 571 R HN 0.285 nan 8.270 nan 0.000 0.453 572 G N -0.084 108.705 108.800 -0.019 0.000 2.443 572 G HA2 -0.166 3.792 3.960 -0.005 0.000 0.219 572 G HA3 -0.166 3.792 3.960 -0.005 0.000 0.219 572 G C 1.382 176.285 174.900 0.006 0.000 1.131 572 G CA 0.336 45.430 45.100 -0.011 0.000 0.775 572 G HN 0.124 nan 8.290 nan 0.000 0.547 573 V N 1.207 121.137 119.914 0.027 0.000 2.343 573 V HA -0.166 3.951 4.120 -0.005 0.000 0.247 573 V C 2.784 179.036 176.094 0.264 0.000 1.051 573 V CA 1.546 63.920 62.300 0.124 0.000 1.036 573 V CB -0.360 31.529 31.823 0.109 0.000 0.654 573 V HN 0.407 nan 8.190 nan 0.000 0.451 574 I N 0.690 121.410 120.570 0.250 0.000 2.208 574 I HA -0.198 3.969 4.170 -0.005 0.000 0.245 574 I C 2.615 178.836 176.117 0.174 0.000 1.097 574 I CA 1.759 63.204 61.300 0.241 0.000 1.363 574 I CB -1.002 37.124 38.000 0.210 0.000 1.051 574 I HN 0.406 nan 8.210 nan 0.000 0.413 575 G N 0.325 109.185 108.800 0.099 0.000 2.440 575 G HA2 -0.323 3.635 3.960 -0.005 0.000 0.218 575 G HA3 -0.323 3.635 3.960 -0.005 0.000 0.218 575 G C 1.539 176.406 174.900 -0.055 0.000 1.154 575 G CA 1.047 46.173 45.100 0.042 0.000 0.767 575 G HN 0.514 nan 8.290 nan 0.000 0.552 576 E N -0.580 119.505 120.200 -0.192 0.000 2.058 576 E HA -0.196 4.152 4.350 -0.005 0.000 0.194 576 E C 2.161 178.541 176.600 -0.367 0.000 0.997 576 E CA 0.973 57.015 56.400 -0.597 0.000 0.801 576 E CB -0.296 28.952 29.700 -0.753 0.000 0.746 576 E HN 0.586 nan 8.360 nan 0.000 0.450 577 Y N 0.343 120.583 120.300 -0.100 0.000 2.181 577 Y HA -0.245 4.302 4.550 -0.004 0.000 0.288 577 Y C 2.782 178.676 175.900 -0.009 0.000 1.146 577 Y CA 1.096 59.178 58.100 -0.031 0.000 1.164 577 Y CB -0.666 37.791 38.460 -0.004 0.000 0.982 577 Y HN 0.235 nan 8.280 nan 0.000 0.515 578 C N 0.261 119.647 119.300 0.143 0.000 2.376 578 C HA -0.270 4.188 4.460 -0.005 0.000 0.275 578 C C 2.739 177.777 174.990 0.080 0.000 1.200 578 C CA 1.530 60.605 59.018 0.094 0.000 1.756 578 C CB -1.315 26.478 27.740 0.088 0.000 2.050 578 C HN 0.510 nan 8.230 nan 0.000 0.460 579 I N -0.419 120.188 120.570 0.061 0.000 2.286 579 I HA -0.253 3.914 4.170 -0.005 0.000 0.248 579 I C 2.699 178.880 176.117 0.106 0.000 1.115 579 I CA 1.371 62.734 61.300 0.106 0.000 1.392 579 I CB -0.708 37.395 38.000 0.170 0.000 1.065 579 I HN 0.494 nan 8.210 nan 0.000 0.418 580 Q N 0.703 120.539 119.800 0.060 0.000 2.077 580 Q HA -0.279 4.058 4.340 -0.005 0.000 0.206 580 Q C 1.743 177.784 176.000 0.069 0.000 0.989 580 Q CA 2.144 57.976 55.803 0.048 0.000 0.853 580 Q CB -0.009 28.707 28.738 -0.038 0.000 0.907 580 Q HN 0.484 nan 8.270 nan 0.000 0.418 581 D N -0.758 119.687 120.400 0.074 0.000 2.117 581 D HA -0.074 4.563 4.640 -0.005 0.000 0.198 581 D C 1.986 178.336 176.300 0.083 0.000 0.982 581 D CA 0.958 54.997 54.000 0.066 0.000 0.828 581 D CB -0.231 40.605 40.800 0.061 0.000 0.967 581 D HN 0.056 nan 8.370 nan 0.000 0.464 582 S N 0.151 115.914 115.700 0.105 0.000 2.399 582 S HA -0.053 4.414 4.470 -0.005 0.000 0.231 582 S C 2.089 176.797 174.600 0.180 0.000 1.022 582 S CA 0.482 58.767 58.200 0.142 0.000 0.983 582 S CB -0.092 63.201 63.200 0.156 0.000 0.803 582 S HN 0.245 nan 8.310 nan 0.000 0.480 583 L N 0.697 122.015 121.223 0.159 0.000 2.109 583 L HA -0.012 4.326 4.340 -0.005 0.000 0.207 583 L C 2.108 179.075 176.870 0.163 0.000 1.086 583 L CA 0.762 55.713 54.840 0.185 0.000 0.760 583 L CB -0.499 41.642 42.059 0.137 0.000 0.910 583 L HN 0.284 nan 8.230 nan 0.000 0.437 584 L N -0.974 120.315 121.223 0.111 0.000 2.017 584 L HA -0.204 4.133 4.340 -0.005 0.000 0.208 584 L C 2.512 179.443 176.870 0.101 0.000 1.073 584 L CA 0.936 55.826 54.840 0.083 0.000 0.745 584 L CB -0.660 41.420 42.059 0.034 0.000 0.894 584 L HN 0.043 nan 8.230 nan 0.000 0.432 585 V N 0.223 120.203 119.914 0.108 0.000 2.407 585 V HA -0.199 3.919 4.120 -0.005 0.000 0.248 585 V C 2.570 178.760 176.094 0.160 0.000 1.055 585 V CA 1.941 64.327 62.300 0.142 0.000 1.049 585 V CB -1.203 30.715 31.823 0.158 0.000 0.662 585 V HN 0.583 nan 8.190 nan 0.000 0.455 586 G N -1.010 107.886 108.800 0.161 0.000 2.402 586 G HA2 -0.227 3.731 3.960 -0.005 0.000 0.216 586 G HA3 -0.227 3.731 3.960 -0.005 0.000 0.216 586 G C 1.465 176.477 174.900 0.187 0.000 1.162 586 G CA 0.602 45.755 45.100 0.089 0.000 0.777 586 G HN 0.537 nan 8.290 nan 0.000 0.539 587 Q N -0.136 119.790 119.800 0.210 0.000 2.096 587 Q HA -0.017 4.321 4.340 -0.005 0.000 0.204 587 Q C 2.607 178.691 176.000 0.140 0.000 0.982 587 Q CA 0.987 56.902 55.803 0.185 0.000 0.850 587 Q CB -0.299 28.515 28.738 0.126 0.000 0.901 587 Q HN 0.428 nan 8.270 nan 0.000 0.422 588 L N -0.549 120.763 121.223 0.147 0.000 2.017 588 L HA -0.182 4.155 4.340 -0.005 0.000 0.208 588 L C 2.297 179.294 176.870 0.211 0.000 1.073 588 L CA 1.096 56.047 54.840 0.186 0.000 0.745 588 L CB -0.419 41.798 42.059 0.263 0.000 0.894 588 L HN 0.207 nan 8.230 nan 0.000 0.432 589 F N -0.065 119.873 119.950 -0.020 0.000 2.161 589 F HA -0.255 4.269 4.527 -0.005 0.000 0.300 589 F C 2.002 177.598 175.800 -0.340 0.000 1.089 589 F CA 1.597 59.473 58.000 -0.207 0.000 1.282 589 F CB -0.122 38.585 39.000 -0.488 0.000 1.010 589 F HN -0.099 nan 8.300 nan 0.000 0.485 590 F N -0.102 119.954 119.950 0.177 0.000 2.710 590 F HA 0.036 4.561 4.527 -0.003 0.000 0.298 590 F C 2.215 177.993 175.800 -0.037 0.000 1.137 590 F CA 0.526 58.577 58.000 0.085 0.000 1.444 590 F CB -0.266 38.777 39.000 0.072 0.000 1.111 590 F HN -0.151 nan 8.300 nan 0.000 0.580 591 K N 0.193 120.577 120.400 -0.026 0.000 2.076 591 K HA -0.068 4.249 4.320 -0.005 0.000 0.204 591 K C 1.374 177.738 176.600 -0.394 0.000 1.051 591 K CA 1.489 57.610 56.287 -0.277 0.000 0.949 591 K CB -0.138 32.050 32.500 -0.521 0.000 0.726 591 K HN 0.231 nan 8.250 nan 0.000 0.443 592 F N 0.527 120.436 119.950 -0.068 0.000 2.731 592 F HA 0.271 4.796 4.527 -0.003 0.000 0.298 592 F C 0.154 175.839 175.800 -0.192 0.000 1.106 592 F CA -0.302 57.630 58.000 -0.113 0.000 1.329 592 F CB 0.323 39.257 39.000 -0.109 0.000 1.100 592 F HN -0.134 nan 8.300 nan 0.000 0.592 593 L N 0.923 122.063 121.223 -0.139 0.000 3.739 593 L HA -0.239 4.098 4.340 -0.005 0.000 0.442 593 L C -1.674 175.055 176.870 -0.235 0.000 1.241 593 L CA -0.579 54.145 54.840 -0.193 0.000 0.819 593 L CB -1.342 40.656 42.059 -0.102 0.000 1.679 593 L HN 0.059 nan 8.230 nan 0.000 0.889 594 P HA -0.202 nan 4.420 nan 0.000 0.218 594 P C 1.542 178.784 177.300 -0.096 0.000 1.149 594 P CA 2.001 64.985 63.100 -0.193 0.000 0.817 594 P CB -0.210 31.363 31.700 -0.212 0.000 0.785 595 H N 0.217 119.127 119.070 -0.266 0.000 2.387 595 H HA -0.045 4.508 4.556 -0.005 0.000 0.299 595 H C 1.908 177.160 175.328 -0.127 0.000 1.099 595 H CA 0.913 56.908 56.048 -0.087 0.000 1.315 595 H CB -1.543 28.165 29.762 -0.091 0.000 1.380 595 H HN 0.157 nan 8.280 nan 0.000 0.513 596 L N 0.160 120.958 121.223 -0.708 0.000 2.291 596 L HA -0.041 4.296 4.340 -0.005 0.000 0.214 596 L C 2.768 179.467 176.870 -0.285 0.000 1.120 596 L CA 1.096 55.634 54.840 -0.502 0.000 0.799 596 L CB -0.196 41.575 42.059 -0.480 0.000 0.925 596 L HN 0.319 nan 8.230 nan 0.000 0.446 597 E N 0.505 120.567 120.200 -0.229 0.000 2.042 597 E HA -0.126 4.221 4.350 -0.005 0.000 0.189 597 E C 2.361 178.873 176.600 -0.147 0.000 0.974 597 E CA 0.507 56.813 56.400 -0.156 0.000 0.806 597 E CB 0.100 29.724 29.700 -0.127 0.000 0.769 597 E HN 0.354 nan 8.360 nan 0.000 0.451 598 L N 0.974 122.119 121.223 -0.129 0.000 2.079 598 L HA -0.185 4.152 4.340 -0.005 0.000 0.210 598 L C 2.698 179.473 176.870 -0.160 0.000 1.081 598 L CA 1.530 56.308 54.840 -0.103 0.000 0.752 598 L CB -0.429 41.606 42.059 -0.039 0.000 0.896 598 L HN 0.248 nan 8.230 nan 0.000 0.433 599 S N -0.459 115.066 115.700 -0.293 0.000 2.436 599 S HA -0.029 4.438 4.470 -0.005 0.000 0.228 599 S C 2.128 176.512 174.600 -0.360 0.000 1.014 599 S CA 0.540 58.397 58.200 -0.572 0.000 0.950 599 S CB -0.209 62.169 63.200 -1.369 0.000 0.784 599 S HN 0.321 nan 8.310 nan 0.000 0.504 600 A N 1.789 124.465 122.820 -0.239 0.000 1.877 600 A HA 0.057 4.375 4.320 -0.005 0.000 0.216 600 A C 2.390 179.920 177.584 -0.091 0.000 1.186 600 A CA 1.708 53.665 52.037 -0.133 0.000 0.620 600 A CB -1.172 17.761 19.000 -0.113 0.000 0.822 600 A HN 0.433 nan 8.150 nan 0.000 0.443 601 V N -0.101 119.754 119.914 -0.099 0.000 2.261 601 V HA -0.255 3.862 4.120 -0.005 0.000 0.246 601 V C 3.086 179.162 176.094 -0.030 0.000 1.047 601 V CA 1.946 64.203 62.300 -0.072 0.000 1.015 601 V CB -1.401 30.377 31.823 -0.075 0.000 0.642 601 V HN 0.642 nan 8.190 nan 0.000 0.446 602 A N -0.052 122.750 122.820 -0.029 0.000 1.929 602 A HA -0.361 3.956 4.320 -0.005 0.000 0.221 602 A C 2.350 179.978 177.584 0.073 0.000 1.211 602 A CA 2.695 54.750 52.037 0.031 0.000 0.657 602 A CB -0.654 18.370 19.000 0.040 0.000 0.827 602 A HN 0.543 nan 8.150 nan 0.000 0.462 603 R N -1.668 118.868 120.500 0.059 0.000 2.075 603 R HA -0.050 4.288 4.340 -0.005 0.000 0.232 603 R C 2.181 178.537 176.300 0.095 0.000 1.126 603 R CA 1.304 57.465 56.100 0.102 0.000 0.963 603 R CB -0.480 29.879 30.300 0.099 0.000 0.858 603 R HN 0.487 nan 8.270 nan 0.000 0.435 604 L N 0.428 121.690 121.223 0.066 0.000 1.994 604 L HA -0.109 4.228 4.340 -0.005 0.000 0.208 604 L C 2.055 179.003 176.870 0.129 0.000 1.071 604 L CA 2.106 57.000 54.840 0.090 0.000 0.745 604 L CB -0.516 41.548 42.059 0.009 0.000 0.892 604 L HN 0.136 nan 8.230 nan 0.000 0.431 605 A N -1.393 121.481 122.820 0.090 0.000 2.208 605 A HA 0.348 4.665 4.320 -0.005 0.000 0.209 605 A C 1.562 179.219 177.584 0.122 0.000 1.161 605 A CA 0.604 52.707 52.037 0.110 0.000 0.782 605 A CB -0.901 18.141 19.000 0.069 0.000 0.816 605 A HN 0.787 nan 8.150 nan 0.000 0.477 606 G N -1.126 107.747 108.800 0.122 0.000 2.246 606 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.273 606 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.273 606 G C -0.136 174.847 174.900 0.139 0.000 1.055 606 G CA 0.685 45.864 45.100 0.132 0.000 0.851 606 G HN 0.569 nan 8.290 nan 0.000 0.500 607 I N -0.042 120.604 120.570 0.127 0.000 2.689 607 I HA 0.523 4.690 4.170 -0.005 0.000 0.299 607 I C 0.284 176.469 176.117 0.113 0.000 1.059 607 I CA -1.253 60.118 61.300 0.118 0.000 1.055 607 I CB 1.735 39.796 38.000 0.103 0.000 1.243 607 I HN 0.384 nan 8.210 nan 0.000 0.425 608 N N 5.087 123.848 118.700 0.102 0.000 2.354 608 N HA 0.078 4.815 4.740 -0.005 0.000 0.246 608 N C 0.752 176.310 175.510 0.080 0.000 1.285 608 N CA -0.002 53.105 53.050 0.095 0.000 0.925 608 N CB 0.637 39.159 38.487 0.058 0.000 1.174 608 N HN 0.741 nan 8.380 nan 0.000 0.478 609 I N -0.451 120.177 120.570 0.095 0.000 2.676 609 I HA -0.175 3.992 4.170 -0.005 0.000 0.259 609 I C 1.155 177.282 176.117 0.016 0.000 1.194 609 I CA 0.943 62.291 61.300 0.080 0.000 1.473 609 I CB -0.233 37.874 38.000 0.179 0.000 1.096 609 I HN 0.699 nan 8.210 nan 0.000 0.443 610 T N 0.984 115.548 114.554 0.017 0.000 2.708 610 T HA -0.154 4.194 4.350 -0.005 0.000 0.266 610 T C 1.899 176.617 174.700 0.030 0.000 1.037 610 T CA 1.427 63.538 62.100 0.018 0.000 1.146 610 T CB -0.141 68.763 68.868 0.060 0.000 0.865 610 T HN 0.401 nan 8.240 nan 0.000 0.435 611 R N 0.461 120.992 120.500 0.053 0.000 2.193 611 R HA 0.033 4.371 4.340 -0.005 0.000 0.213 611 R C 2.579 178.895 176.300 0.027 0.000 1.055 611 R CA 1.082 57.223 56.100 0.068 0.000 0.995 611 R CB -0.409 29.932 30.300 0.069 0.000 0.893 611 R HN 0.277 nan 8.270 nan 0.000 0.459 612 T N 1.419 115.972 114.554 -0.002 0.000 2.833 612 T HA -0.055 4.292 4.350 -0.005 0.000 0.269 612 T C 1.819 176.470 174.700 -0.082 0.000 1.054 612 T CA 1.055 63.140 62.100 -0.026 0.000 1.135 612 T CB -0.016 68.838 68.868 -0.023 0.000 0.869 612 T HN 0.198 nan 8.240 nan 0.000 0.466 613 I N -1.336 119.123 120.570 -0.184 0.000 2.494 613 I HA 0.015 4.183 4.170 -0.005 0.000 0.250 613 I C 1.899 177.838 176.117 -0.296 0.000 1.112 613 I CA 1.278 62.370 61.300 -0.347 0.000 1.438 613 I CB -0.341 37.219 38.000 -0.732 0.000 1.111 613 I HN 0.286 nan 8.210 nan 0.000 0.431 614 Y N 1.023 121.336 120.300 0.021 0.000 2.314 614 Y HA 0.044 4.591 4.550 -0.005 0.000 0.294 614 Y C 1.168 177.081 175.900 0.023 0.000 1.139 614 Y CA -0.637 57.475 58.100 0.020 0.000 1.162 614 Y CB -0.008 38.460 38.460 0.013 0.000 1.121 614 Y HN 0.059 nan 8.280 nan 0.000 0.529 615 D N -0.026 120.476 120.400 0.170 0.000 2.349 615 D HA 0.225 4.862 4.640 -0.005 0.000 0.239 615 D C 0.577 176.923 176.300 0.078 0.000 1.315 615 D CA 0.581 54.644 54.000 0.104 0.000 0.937 615 D CB 0.327 41.175 40.800 0.081 0.000 1.133 615 D HN 0.316 nan 8.370 nan 0.000 0.489 616 G N -1.511 107.328 108.800 0.065 0.000 3.122 616 G HA2 0.121 4.078 3.960 -0.005 0.000 0.180 616 G HA3 0.121 4.078 3.960 -0.005 0.000 0.180 616 G C 0.409 175.345 174.900 0.060 0.000 1.279 616 G CA -0.308 44.826 45.100 0.056 0.000 0.987 616 G HN 0.331 nan 8.290 nan 0.000 0.589 617 Q N -0.623 119.216 119.800 0.065 0.000 2.167 617 Q HA -0.102 4.235 4.340 -0.005 0.000 0.202 617 Q C 2.493 178.567 176.000 0.123 0.000 0.970 617 Q CA 1.066 56.913 55.803 0.073 0.000 0.855 617 Q CB 0.007 28.789 28.738 0.073 0.000 0.911 617 Q HN 0.560 nan 8.270 nan 0.000 0.438 618 Q N 0.247 120.154 119.800 0.179 0.000 2.167 618 Q HA -0.132 4.205 4.340 -0.005 0.000 0.202 618 Q C 2.047 178.212 176.000 0.274 0.000 0.970 618 Q CA 0.729 56.734 55.803 0.336 0.000 0.855 618 Q CB -0.073 28.871 28.738 0.344 0.000 0.911 618 Q HN 0.259 nan 8.270 nan 0.000 0.438 619 I N 1.079 121.751 120.570 0.171 0.000 2.493 619 I HA -0.246 3.922 4.170 -0.005 0.000 0.254 619 I C 1.883 178.114 176.117 0.189 0.000 1.160 619 I CA 1.252 62.648 61.300 0.161 0.000 1.445 619 I CB -0.025 38.028 38.000 0.087 0.000 1.086 619 I HN 0.048 nan 8.210 nan 0.000 0.433 620 R N -0.370 120.202 120.500 0.119 0.000 2.070 620 R HA -0.102 4.235 4.340 -0.005 0.000 0.232 620 R C 2.199 178.542 176.300 0.071 0.000 1.138 620 R CA 1.851 58.002 56.100 0.084 0.000 0.936 620 R CB -1.103 29.214 30.300 0.029 0.000 0.839 620 R HN 0.264 nan 8.270 nan 0.000 0.429 621 V N 1.403 121.307 119.914 -0.017 0.000 2.295 621 V HA -0.258 3.860 4.120 -0.005 0.000 0.246 621 V C 2.105 178.044 176.094 -0.259 0.000 1.049 621 V CA 1.870 64.079 62.300 -0.151 0.000 1.024 621 V CB -0.681 30.860 31.823 -0.470 0.000 0.648 621 V HN 0.202 nan 8.190 nan 0.000 0.447 622 F N 1.676 121.390 119.950 -0.393 0.000 2.065 622 F HA -0.290 4.234 4.527 -0.005 0.000 0.298 622 F C 2.473 178.238 175.800 -0.058 0.000 1.112 622 F CA 2.555 60.449 58.000 -0.177 0.000 1.212 622 F CB -0.677 38.373 39.000 0.084 0.000 0.975 622 F HN 0.126 nan 8.300 nan 0.000 0.476 623 T N -0.448 114.195 114.554 0.148 0.000 2.833 623 T HA -0.198 4.150 4.350 -0.005 0.000 0.269 623 T C 2.047 176.721 174.700 -0.043 0.000 1.054 623 T CA 1.450 63.587 62.100 0.062 0.000 1.135 623 T CB -0.942 68.035 68.868 0.181 0.000 0.869 623 T HN 0.433 nan 8.240 nan 0.000 0.466 624 C N 0.653 119.946 119.300 -0.010 0.000 2.475 624 C HA 0.200 4.658 4.460 -0.005 0.000 0.279 624 C C 2.534 177.445 174.990 -0.132 0.000 1.322 624 C CA -0.264 58.749 59.018 -0.008 0.000 1.734 624 C CB -1.181 26.649 27.740 0.150 0.000 2.005 624 C HN 0.429 nan 8.230 nan 0.000 0.495 625 L N 0.882 121.986 121.223 -0.198 0.000 2.056 625 L HA -0.044 4.293 4.340 -0.005 0.000 0.207 625 L C 2.261 178.966 176.870 -0.275 0.000 1.078 625 L CA 1.622 56.316 54.840 -0.243 0.000 0.749 625 L CB -1.090 40.805 42.059 -0.274 0.000 0.901 625 L HN 0.220 nan 8.230 nan 0.000 0.433 626 L N 0.053 121.033 121.223 -0.406 0.000 1.990 626 L HA -0.254 4.084 4.340 -0.005 0.000 0.213 626 L C 2.784 179.556 176.870 -0.164 0.000 1.072 626 L CA 2.191 56.818 54.840 -0.355 0.000 0.755 626 L CB -0.886 40.896 42.059 -0.463 0.000 0.889 626 L HN 0.406 nan 8.230 nan 0.000 0.432 627 R N -0.964 119.460 120.500 -0.125 0.000 2.115 627 R HA -0.242 4.095 4.340 -0.005 0.000 0.239 627 R C 2.318 178.579 176.300 -0.065 0.000 1.133 627 R CA 2.419 58.478 56.100 -0.068 0.000 0.935 627 R CB -0.719 29.551 30.300 -0.050 0.000 0.853 627 R HN 0.405 nan 8.270 nan 0.000 0.433 628 L N 0.782 121.951 121.223 -0.089 0.000 1.994 628 L HA -0.072 4.266 4.340 -0.005 0.000 0.208 628 L C 2.446 179.307 176.870 -0.015 0.000 1.071 628 L CA 2.237 57.036 54.840 -0.067 0.000 0.745 628 L CB -1.001 40.994 42.059 -0.106 0.000 0.892 628 L HN 0.348 nan 8.230 nan 0.000 0.431 629 A N -0.574 122.229 122.820 -0.028 0.000 1.884 629 A HA -0.303 4.014 4.320 -0.005 0.000 0.219 629 A C 2.043 179.692 177.584 0.108 0.000 1.197 629 A CA 2.308 54.387 52.037 0.071 0.000 0.637 629 A CB -1.060 17.915 19.000 -0.042 0.000 0.827 629 A HN 0.584 nan 8.150 nan 0.000 0.450 630 D N -0.789 119.619 120.400 0.014 0.000 2.097 630 D HA -0.140 4.497 4.640 -0.005 0.000 0.195 630 D C 2.178 178.472 176.300 -0.011 0.000 0.989 630 D CA 1.548 55.548 54.000 -0.001 0.000 0.827 630 D CB -0.581 40.227 40.800 0.013 0.000 0.966 630 D HN 0.641 nan 8.370 nan 0.000 0.456 631 Q N 0.150 119.944 119.800 -0.010 0.000 2.197 631 Q HA -0.191 4.147 4.340 -0.005 0.000 0.207 631 Q C 1.914 177.899 176.000 -0.026 0.000 0.984 631 Q CA 1.326 57.118 55.803 -0.019 0.000 0.869 631 Q CB 0.054 28.779 28.738 -0.021 0.000 0.906 631 Q HN 0.023 nan 8.270 nan 0.000 0.426 632 K N -1.425 118.973 120.400 -0.003 0.000 2.167 632 K HA 0.005 4.322 4.320 -0.005 0.000 0.203 632 K C 1.111 177.605 176.600 -0.176 0.000 1.052 632 K CA 1.150 57.420 56.287 -0.027 0.000 0.956 632 K CB 0.271 32.844 32.500 0.122 0.000 0.735 632 K HN 0.338 nan 8.250 nan 0.000 0.451 633 G N -1.548 107.130 108.800 -0.204 0.000 2.273 633 G HA2 -0.150 3.807 3.960 -0.005 0.000 0.162 633 G HA3 -0.150 3.807 3.960 -0.005 0.000 0.162 633 G C -0.083 174.555 174.900 -0.437 0.000 1.006 633 G CA -0.606 44.300 45.100 -0.324 0.000 0.704 633 G HN 0.077 nan 8.290 nan 0.000 0.487 634 F N 1.092 120.962 119.950 -0.134 0.000 2.368 634 F HA 0.793 5.318 4.527 -0.005 0.000 0.315 634 F C 1.125 176.763 175.800 -0.271 0.000 1.145 634 F CA -0.362 57.532 58.000 -0.177 0.000 1.095 634 F CB 0.789 39.713 39.000 -0.126 0.000 1.286 634 F HN 0.206 nan 8.300 nan 0.000 0.530 635 I N -0.717 119.788 120.570 -0.108 0.000 2.969 635 I HA 0.595 4.762 4.170 -0.005 0.000 0.307 635 I C -1.712 174.441 176.117 0.060 0.000 1.149 635 I CA -1.053 60.123 61.300 -0.206 0.000 1.008 635 I CB 2.319 39.908 38.000 -0.685 0.000 1.232 635 I HN 0.262 nan 8.210 nan 0.000 0.435 636 L N 3.960 125.299 121.223 0.194 0.000 2.333 636 L HA 0.603 4.940 4.340 -0.005 0.000 0.280 636 L C -2.489 174.556 176.870 0.291 0.000 1.004 636 L CA -1.795 53.169 54.840 0.208 0.000 0.820 636 L CB 2.019 44.116 42.059 0.064 0.000 1.247 636 L HN 0.359 nan 8.230 nan 0.000 0.416 637 P HA 0.138 nan 4.420 nan 0.000 0.280 637 P C -0.985 176.255 177.300 -0.101 0.000 1.244 637 P CA -0.375 62.524 63.100 -0.334 0.000 0.784 637 P CB 1.204 32.617 31.700 -0.478 0.000 0.913 638 D N 1.455 121.779 120.400 -0.126 0.000 2.371 638 D HA 0.279 4.916 4.640 -0.005 0.000 0.242 638 D C 0.553 176.800 176.300 -0.088 0.000 1.218 638 D CA 0.689 54.646 54.000 -0.072 0.000 0.945 638 D CB 0.838 41.593 40.800 -0.075 0.000 1.137 638 D HN 0.438 nan 8.370 nan 0.000 0.464 702 L N 1.884 123.105 121.223 -0.003 0.000 3.741 702 L HA -0.157 4.181 4.340 -0.005 0.000 0.421 702 L C -0.054 176.792 176.870 -0.041 0.000 0.871 702 L CA 1.513 56.350 54.840 -0.004 0.000 0.813 702 L CB -0.107 41.962 42.059 0.016 0.000 1.331 702 L HN 0.538 nan 8.230 nan 0.000 0.753 703 D N 6.108 126.485 120.400 -0.037 0.000 2.569 703 D HA 0.569 5.207 4.640 -0.005 0.000 0.266 703 D C -2.401 173.895 176.300 -0.006 0.000 1.164 703 D CA -1.209 52.746 54.000 -0.074 0.000 1.071 703 D CB 0.402 41.165 40.800 -0.061 0.000 1.183 703 D HN 0.403 nan 8.370 nan 0.000 0.613 704 P HA 0.135 nan 4.420 nan 0.000 0.275 704 P C -0.563 176.809 177.300 0.120 0.000 1.228 704 P CA -0.140 63.037 63.100 0.130 0.000 0.786 704 P CB 0.290 32.155 31.700 0.275 0.000 0.927 705 T N 1.028 115.662 114.554 0.134 0.000 2.728 705 T HA 0.172 4.519 4.350 -0.005 0.000 0.296 705 T C 0.498 175.281 174.700 0.138 0.000 0.940 705 T CA -0.140 62.034 62.100 0.123 0.000 1.013 705 T CB 0.095 69.035 68.868 0.119 0.000 0.912 705 T HN 0.310 nan 8.240 nan 0.000 0.484 706 S N 2.859 118.624 115.700 0.109 0.000 2.510 706 S HA 0.604 5.071 4.470 -0.005 0.000 0.279 706 S C 0.591 175.232 174.600 0.068 0.000 1.284 706 S CA 0.240 58.499 58.200 0.100 0.000 1.059 706 S CB -0.318 62.934 63.200 0.087 0.000 0.901 706 S HN 1.080 nan 8.310 nan 0.000 0.491 707 G N 3.302 112.137 108.800 0.058 0.000 2.323 707 G HA2 0.381 4.338 3.960 -0.005 0.000 0.291 707 G HA3 0.381 4.338 3.960 -0.005 0.000 0.291 707 G C -2.061 172.826 174.900 -0.021 0.000 1.278 707 G CA -0.817 44.274 45.100 -0.015 0.000 0.860 707 G HN 0.623 nan 8.290 nan 0.000 0.504 708 F N 1.398 121.154 119.950 -0.323 0.000 2.529 708 F HA 0.715 5.239 4.527 -0.005 0.000 0.320 708 F C -0.369 175.153 175.800 -0.464 0.000 1.118 708 F CA -0.673 57.142 58.000 -0.308 0.000 0.915 708 F CB 1.785 40.625 39.000 -0.267 0.000 1.161 708 F HN 0.469 nan 8.300 nan 0.000 0.445 709 H N 5.309 123.974 119.070 -0.676 0.000 2.495 709 H HA 0.410 4.963 4.556 -0.005 0.000 0.348 709 H C -0.202 174.850 175.328 -0.460 0.000 1.113 709 H CA -0.594 55.226 56.048 -0.380 0.000 1.195 709 H CB 2.530 32.135 29.762 -0.262 0.000 1.521 709 H HN 0.532 nan 8.280 nan 0.000 0.509 710 V N 2.296 122.179 119.914 -0.052 0.000 3.645 710 V HA -0.011 4.106 4.120 -0.005 0.000 0.275 710 V C 0.683 176.788 176.094 0.018 0.000 1.356 710 V CA 0.234 62.539 62.300 0.009 0.000 1.051 710 V CB -0.070 31.814 31.823 0.102 0.000 0.828 710 V HN 0.636 nan 8.190 nan 0.000 0.441 711 N N 1.423 120.137 118.700 0.024 0.000 2.493 711 N HA 0.307 5.044 4.740 -0.005 0.000 0.275 711 N C -2.647 172.858 175.510 -0.009 0.000 1.186 711 N CA -1.232 51.828 53.050 0.016 0.000 0.978 711 N CB 0.981 39.480 38.487 0.020 0.000 1.184 711 N HN 0.087 nan 8.380 nan 0.000 0.487 712 P HA 0.077 nan 4.420 nan 0.000 0.268 712 P C -0.686 176.570 177.300 -0.074 0.000 1.205 712 P CA -0.013 63.068 63.100 -0.032 0.000 0.771 712 P CB 0.653 32.328 31.700 -0.042 0.000 0.858 713 V N 4.163 124.026 119.914 -0.085 0.000 2.409 713 V HA 0.190 4.307 4.120 -0.005 0.000 0.290 713 V C 0.131 176.100 176.094 -0.209 0.000 1.017 713 V CA -0.763 61.453 62.300 -0.140 0.000 0.841 713 V CB 1.802 33.533 31.823 -0.154 0.000 1.003 713 V HN 0.324 nan 8.190 nan 0.000 0.426 714 V N 3.887 123.633 119.914 -0.280 0.000 2.649 714 V HA 0.625 4.742 4.120 -0.005 0.000 0.292 714 V C -0.007 175.793 176.094 -0.489 0.000 1.055 714 V CA -0.571 61.486 62.300 -0.406 0.000 1.023 714 V CB 1.334 32.857 31.823 -0.501 0.000 0.992 714 V HN 0.458 nan 8.190 nan 0.000 0.480 715 V N 4.920 124.579 119.914 -0.425 0.000 2.417 715 V HA 0.489 4.606 4.120 -0.005 0.000 0.291 715 V C -0.417 175.653 176.094 -0.039 0.000 1.024 715 V CA -0.219 61.943 62.300 -0.230 0.000 0.861 715 V CB 1.223 32.884 31.823 -0.270 0.000 0.985 715 V HN 0.775 nan 8.190 nan 0.000 0.436 716 F N 3.746 123.715 119.950 0.033 0.000 2.444 716 F HA 0.564 5.088 4.527 -0.005 0.000 0.342 716 F C -0.120 175.617 175.800 -0.105 0.000 1.121 716 F CA -0.850 57.111 58.000 -0.065 0.000 0.997 716 F CB 2.007 40.963 39.000 -0.074 0.000 1.130 716 F HN 0.668 nan 8.300 nan 0.000 0.454 717 D N 1.769 122.188 120.400 0.032 0.000 2.738 717 D HA 0.373 5.010 4.640 -0.005 0.000 0.237 717 D C -1.312 174.864 176.300 -0.208 0.000 1.123 717 D CA -0.532 53.435 54.000 -0.055 0.000 0.856 717 D CB 1.228 42.057 40.800 0.048 0.000 1.552 717 D HN 0.157 nan 8.370 nan 0.000 0.480 718 F N 0.879 120.819 119.950 -0.016 0.000 2.420 718 F HA 0.492 5.016 4.527 -0.005 0.000 0.352 718 F C 1.039 176.797 175.800 -0.071 0.000 1.108 718 F CA -0.808 57.148 58.000 -0.074 0.000 1.162 718 F CB 1.404 40.323 39.000 -0.135 0.000 1.118 718 F HN 0.530 nan 8.300 nan 0.000 0.510 719 A N 3.062 125.954 122.820 0.121 0.000 2.438 719 A HA 0.393 4.710 4.320 -0.005 0.000 0.280 719 A C 0.600 178.209 177.584 0.042 0.000 1.160 719 A CA -0.273 51.799 52.037 0.057 0.000 0.821 719 A CB -0.513 18.509 19.000 0.037 0.000 1.101 719 A HN 0.933 nan 8.150 nan 0.000 0.515 720 S N 1.129 116.831 115.700 0.003 0.000 3.667 720 S HA -0.169 4.298 4.470 -0.005 0.000 0.405 720 S C 0.780 175.346 174.600 -0.057 0.000 0.913 720 S CA 0.571 58.755 58.200 -0.027 0.000 1.288 720 S CB -1.797 61.405 63.200 0.003 0.000 0.905 720 S HN 1.275 nan 8.310 nan 0.000 0.550 721 L N 1.183 122.326 121.223 -0.132 0.000 2.012 721 L HA -0.078 4.259 4.340 -0.005 0.000 0.210 721 L C 1.858 178.669 176.870 -0.098 0.000 1.073 721 L CA 1.953 56.666 54.840 -0.212 0.000 0.748 721 L CB -0.553 41.294 42.059 -0.353 0.000 0.891 721 L HN 0.723 nan 8.230 nan 0.000 0.431 722 Y N -0.546 119.642 120.300 -0.187 0.000 2.153 722 Y HA -0.105 4.442 4.550 -0.005 0.000 0.289 722 Y C 0.029 175.866 175.900 -0.105 0.000 1.127 722 Y CA 0.495 58.463 58.100 -0.220 0.000 1.131 722 Y CB -1.746 36.490 38.460 -0.373 0.000 0.995 722 Y HN 0.241 nan 8.280 nan 0.000 0.505 723 P HA -0.243 nan 4.420 nan 0.000 0.217 723 P C 1.660 178.983 177.300 0.037 0.000 1.151 723 P CA 2.564 65.717 63.100 0.089 0.000 0.849 723 P CB -0.189 31.563 31.700 0.087 0.000 0.787 724 S N -1.655 114.047 115.700 0.004 0.000 2.414 724 S HA -0.064 4.403 4.470 -0.005 0.000 0.227 724 S C 1.972 176.536 174.600 -0.059 0.000 1.022 724 S CA 0.619 58.800 58.200 -0.031 0.000 0.958 724 S CB -1.509 61.663 63.200 -0.047 0.000 0.797 724 S HN 0.036 nan 8.310 nan 0.000 0.493 725 I N 1.673 122.210 120.570 -0.054 0.000 2.163 725 I HA -0.172 3.996 4.170 -0.005 0.000 0.243 725 I C 2.391 178.488 176.117 -0.032 0.000 1.085 725 I CA 1.527 62.807 61.300 -0.033 0.000 1.347 725 I CB -0.415 37.549 38.000 -0.061 0.000 1.044 725 I HN 0.279 nan 8.210 nan 0.000 0.408 726 I N 0.030 120.574 120.570 -0.044 0.000 2.208 726 I HA -0.341 3.826 4.170 -0.005 0.000 0.245 726 I C 2.580 178.661 176.117 -0.059 0.000 1.097 726 I CA 1.542 62.804 61.300 -0.062 0.000 1.363 726 I CB -0.400 37.586 38.000 -0.023 0.000 1.051 726 I HN 0.334 nan 8.210 nan 0.000 0.413 727 Q N 0.364 120.136 119.800 -0.046 0.000 2.020 727 Q HA -0.118 4.219 4.340 -0.005 0.000 0.198 727 Q C 2.522 178.462 176.000 -0.100 0.000 0.974 727 Q CA 1.570 57.341 55.803 -0.055 0.000 0.829 727 Q CB -0.265 28.454 28.738 -0.033 0.000 0.894 727 Q HN 0.560 nan 8.270 nan 0.000 0.433 728 A N 0.704 123.434 122.820 -0.151 0.000 1.940 728 A HA -0.177 4.140 4.320 -0.005 0.000 0.219 728 A C 1.278 178.595 177.584 -0.446 0.000 1.176 728 A CA 1.355 53.218 52.037 -0.290 0.000 0.631 728 A CB -0.424 18.363 19.000 -0.355 0.000 0.814 728 A HN 0.388 nan 8.150 nan 0.000 0.446 729 H N -1.785 117.227 119.070 -0.096 0.000 2.505 729 H HA 0.123 4.676 4.556 -0.005 0.000 0.286 729 H C 0.291 175.532 175.328 -0.145 0.000 1.072 729 H CA 0.169 56.144 56.048 -0.122 0.000 1.141 729 H CB -0.169 29.485 29.762 -0.178 0.000 1.550 729 H HN 0.557 nan 8.280 nan 0.000 0.547 730 N N 1.111 119.780 118.700 -0.051 0.000 2.710 730 N HA -0.184 4.553 4.740 -0.005 0.000 0.249 730 N C -0.750 174.737 175.510 -0.039 0.000 1.059 730 N CA 0.134 53.163 53.050 -0.034 0.000 0.720 730 N CB -1.580 36.902 38.487 -0.008 0.000 0.983 730 N HN 0.372 nan 8.380 nan 0.000 0.544 731 L N -0.813 120.319 121.223 -0.152 0.000 2.397 731 L HA 0.472 4.809 4.340 -0.005 0.000 0.271 731 L C 0.905 177.735 176.870 -0.067 0.000 1.148 731 L CA -0.369 54.312 54.840 -0.265 0.000 0.825 731 L CB 1.239 42.987 42.059 -0.518 0.000 1.117 731 L HN 0.368 nan 8.230 nan 0.000 0.456 732 C N 1.309 120.656 119.300 0.078 0.000 3.303 732 C HA 0.298 4.755 4.460 -0.005 0.000 0.340 732 C C 1.217 176.174 174.990 -0.055 0.000 1.274 732 C CA -0.704 58.280 59.018 -0.057 0.000 1.234 732 C CB 0.702 28.451 27.740 0.016 0.000 1.532 732 C HN 0.819 nan 8.230 nan 0.000 0.483 733 F N 2.395 122.318 119.950 -0.045 0.000 2.087 733 F HA -0.174 4.350 4.527 -0.005 0.000 0.299 733 F C 2.603 178.311 175.800 -0.153 0.000 1.100 733 F CA 2.272 60.150 58.000 -0.203 0.000 1.226 733 F CB -0.701 37.980 39.000 -0.531 0.000 0.983 733 F HN 0.727 nan 8.300 nan 0.000 0.479 734 S N -2.325 113.389 115.700 0.024 0.000 2.561 734 S HA -0.032 4.435 4.470 -0.005 0.000 0.225 734 S C 1.537 176.242 174.600 0.176 0.000 0.977 734 S CA 1.141 59.332 58.200 -0.015 0.000 0.926 734 S CB -0.492 62.535 63.200 -0.288 0.000 0.769 734 S HN 0.349 nan 8.310 nan 0.000 0.533 735 T N 1.317 115.979 114.554 0.180 0.000 3.001 735 T HA 0.400 4.747 4.350 -0.005 0.000 0.251 735 T C 0.081 174.876 174.700 0.159 0.000 1.040 735 T CA -0.325 61.896 62.100 0.202 0.000 0.985 735 T CB -0.073 68.930 68.868 0.224 0.000 1.011 735 T HN 0.395 nan 8.240 nan 0.000 0.509 736 L N 1.175 122.460 121.223 0.103 0.000 2.379 736 L HA 0.748 5.085 4.340 -0.005 0.000 0.269 736 L C -0.269 176.619 176.870 0.030 0.000 1.084 736 L CA 0.036 54.733 54.840 -0.238 0.000 0.802 736 L CB 1.716 43.685 42.059 -0.150 0.000 1.175 736 L HN -0.103 nan 8.230 nan 0.000 0.448 737 S N 2.556 118.201 115.700 -0.092 0.000 2.579 737 S HA 0.496 4.963 4.470 -0.005 0.000 0.272 737 S C -0.077 174.498 174.600 -0.043 0.000 1.141 737 S CA -0.737 57.465 58.200 0.004 0.000 0.843 737 S CB 1.156 64.374 63.200 0.030 0.000 1.122 737 S HN 0.694 nan 8.310 nan 0.000 0.468 738 L N 1.843 122.970 121.223 -0.158 0.000 2.585 738 L HA 0.388 4.726 4.340 -0.005 0.000 0.226 738 L C 0.273 177.119 176.870 -0.039 0.000 1.113 738 L CA 0.767 55.537 54.840 -0.116 0.000 0.876 738 L CB -0.284 41.633 42.059 -0.236 0.000 1.072 738 L HN 0.557 nan 8.230 nan 0.000 0.468 739 R N -0.876 119.533 120.500 -0.153 0.000 2.502 739 R HA 0.385 4.722 4.340 -0.005 0.000 0.298 739 R C 0.813 176.848 176.300 -0.442 0.000 1.018 739 R CA 0.082 56.049 56.100 -0.222 0.000 0.899 739 R CB 1.770 31.951 30.300 -0.198 0.000 1.181 739 R HN -0.123 nan 8.270 nan 0.000 0.444 740 A N 2.796 125.331 122.820 -0.475 0.000 1.997 740 A HA -0.267 4.050 4.320 -0.005 0.000 0.221 740 A C 1.158 178.566 177.584 -0.293 0.000 1.172 740 A CA 1.908 53.652 52.037 -0.488 0.000 0.645 740 A CB -0.324 18.602 19.000 -0.125 0.000 0.813 740 A HN 0.794 nan 8.150 nan 0.000 0.454 741 D N -0.078 120.124 120.400 -0.329 0.000 2.633 741 D HA -0.269 4.368 4.640 -0.005 0.000 0.206 741 D C 2.083 178.232 176.300 -0.251 0.000 1.055 741 D CA 2.673 56.454 54.000 -0.365 0.000 0.903 741 D CB -0.579 40.070 40.800 -0.252 0.000 1.115 741 D HN 0.481 nan 8.370 nan 0.000 0.479 742 A N -0.789 121.921 122.820 -0.184 0.000 2.066 742 A HA 0.074 4.391 4.320 -0.005 0.000 0.218 742 A C 2.006 179.620 177.584 0.051 0.000 1.157 742 A CA 1.921 53.908 52.037 -0.084 0.000 0.670 742 A CB -0.170 18.785 19.000 -0.075 0.000 0.804 742 A HN 0.238 nan 8.150 nan 0.000 0.453 743 V N -3.750 116.132 119.914 -0.054 0.000 3.669 743 V HA 0.468 4.586 4.120 -0.005 0.000 0.203 743 V C 2.398 178.466 176.094 -0.042 0.000 1.149 743 V CA 0.493 62.772 62.300 -0.035 0.000 1.346 743 V CB -1.207 30.509 31.823 -0.178 0.000 1.510 743 V HN 0.329 nan 8.190 nan 0.000 0.506 744 A N 0.214 122.958 122.820 -0.127 0.000 1.969 744 A HA -0.344 3.974 4.320 -0.005 0.000 0.223 744 A C 2.081 179.680 177.584 0.025 0.000 1.218 744 A CA 2.918 54.954 52.037 -0.001 0.000 0.667 744 A CB -1.463 17.568 19.000 0.051 0.000 0.826 744 A HN 0.859 nan 8.150 nan 0.000 0.472 745 H N -0.982 118.032 119.070 -0.093 0.000 2.265 745 H HA 0.010 4.563 4.556 -0.005 0.000 0.305 745 H C 2.205 177.491 175.328 -0.069 0.000 1.054 745 H CA 1.338 57.345 56.048 -0.068 0.000 1.296 745 H CB -0.489 29.233 29.762 -0.067 0.000 1.395 745 H HN 0.394 nan 8.280 nan 0.000 0.502 746 L N 0.437 121.701 121.223 0.068 0.000 2.085 746 L HA -0.219 4.118 4.340 -0.005 0.000 0.218 746 L C 0.610 177.416 176.870 -0.106 0.000 1.080 746 L CA 1.313 56.150 54.840 -0.006 0.000 0.776 746 L CB -0.335 41.739 42.059 0.025 0.000 0.891 746 L HN 0.276 nan 8.230 nan 0.000 0.437 747 E N -1.314 118.803 120.200 -0.138 0.000 2.235 747 E HA 0.525 4.872 4.350 -0.005 0.000 0.265 747 E C -0.443 176.027 176.600 -0.217 0.000 0.940 747 E CA -0.428 55.778 56.400 -0.324 0.000 0.819 747 E CB 1.465 31.000 29.700 -0.276 0.000 1.206 747 E HN 0.116 nan 8.360 nan 0.000 0.409 748 A N 1.440 124.089 122.820 -0.284 0.000 2.484 748 A HA 0.356 4.673 4.320 -0.005 0.000 0.268 748 A C 1.258 178.922 177.584 0.133 0.000 1.114 748 A CA 0.509 52.568 52.037 0.037 0.000 0.780 748 A CB -0.243 18.919 19.000 0.269 0.000 1.061 748 A HN 0.728 nan 8.150 nan 0.000 0.505 749 G N 2.152 111.007 108.800 0.092 0.000 2.615 749 G HA2 0.080 4.037 3.960 -0.005 0.000 0.213 749 G HA3 0.080 4.037 3.960 -0.005 0.000 0.213 749 G C 0.560 175.540 174.900 0.134 0.000 1.135 749 G CA 1.086 46.252 45.100 0.110 0.000 0.772 749 G HN 0.887 nan 8.290 nan 0.000 0.542 750 K N -1.971 118.519 120.400 0.152 0.000 2.507 750 K HA 0.493 4.811 4.320 -0.005 0.000 0.284 750 K C 0.069 176.780 176.600 0.185 0.000 1.038 750 K CA -0.272 56.102 56.287 0.146 0.000 0.903 750 K CB 0.817 33.375 32.500 0.098 0.000 1.531 750 K HN -0.004 nan 8.250 nan 0.000 0.430 751 D N -1.942 118.543 120.400 0.141 0.000 2.978 751 D HA -0.317 4.320 4.640 -0.005 0.000 0.205 751 D C -0.349 176.019 176.300 0.113 0.000 1.093 751 D CA 2.209 56.275 54.000 0.109 0.000 1.006 751 D CB -1.122 39.728 40.800 0.082 0.000 1.116 751 D HN 0.708 nan 8.370 nan 0.000 0.419 752 Y N -1.288 119.084 120.300 0.120 0.000 3.006 752 Y HA 0.327 4.874 4.550 -0.005 0.000 0.236 752 Y C 1.048 176.945 175.900 -0.005 0.000 1.088 752 Y CA -0.073 58.075 58.100 0.079 0.000 1.307 752 Y CB 0.250 38.769 38.460 0.098 0.000 1.445 752 Y HN 0.161 nan 8.280 nan 0.000 0.433 753 L N -1.563 119.806 121.223 0.243 0.000 2.755 753 L HA 0.745 5.082 4.340 -0.005 0.000 0.243 753 L C -0.860 176.114 176.870 0.175 0.000 1.579 753 L CA -0.633 54.317 54.840 0.183 0.000 1.669 753 L CB 0.665 42.856 42.059 0.221 0.000 2.294 753 L HN -0.219 nan 8.230 nan 0.000 0.588 754 E N 0.563 120.872 120.200 0.181 0.000 2.716 754 E HA 0.372 4.719 4.350 -0.005 0.000 0.379 754 E C -1.704 174.899 176.600 0.006 0.000 0.969 754 E CA -0.042 56.426 56.400 0.114 0.000 0.735 754 E CB 1.182 30.979 29.700 0.163 0.000 1.498 754 E HN 0.637 nan 8.360 nan 0.000 0.395 755 I N 1.931 122.434 120.570 -0.112 0.000 2.519 755 I HA 0.340 4.507 4.170 -0.005 0.000 0.287 755 I C 0.289 176.273 176.117 -0.222 0.000 1.047 755 I CA -0.067 61.004 61.300 -0.380 0.000 1.381 755 I CB 1.043 38.845 38.000 -0.331 0.000 1.417 755 I HN 0.315 nan 8.210 nan 0.000 0.540 756 E N 3.868 123.919 120.200 -0.249 0.000 2.380 756 E HA 0.399 4.746 4.350 -0.005 0.000 0.281 756 E C -1.541 174.979 176.600 -0.134 0.000 0.999 756 E CA -0.567 55.751 56.400 -0.137 0.000 0.800 756 E CB 2.140 31.795 29.700 -0.075 0.000 1.228 756 E HN 0.310 nan 8.360 nan 0.000 0.436 757 V N 0.901 120.760 119.914 -0.091 0.000 2.370 757 V HA 0.923 5.040 4.120 -0.005 0.000 0.283 757 V C 0.436 176.511 176.094 -0.031 0.000 1.023 757 V CA -0.341 61.919 62.300 -0.067 0.000 0.857 757 V CB 1.464 33.254 31.823 -0.056 0.000 0.985 757 V HN 0.699 nan 8.190 nan 0.000 0.443 758 G N 2.449 111.245 108.800 -0.008 0.000 3.102 758 G HA2 0.587 4.544 3.960 -0.005 0.000 0.345 758 G HA3 0.587 4.544 3.960 -0.005 0.000 0.345 758 G C 0.827 175.745 174.900 0.031 0.000 1.200 758 G CA 0.363 45.475 45.100 0.020 0.000 1.163 758 G HN 1.725 nan 8.290 nan 0.000 0.465 759 G N 2.672 111.482 108.800 0.016 0.000 5.431 759 G HA2 -0.344 3.613 3.960 -0.005 0.000 0.322 759 G HA3 -0.344 3.613 3.960 -0.005 0.000 0.322 759 G C 1.015 175.919 174.900 0.007 0.000 1.370 759 G CA 0.866 45.977 45.100 0.018 0.000 0.963 759 G HN 1.127 nan 8.290 nan 0.000 0.797 760 R N 1.296 121.801 120.500 0.007 0.000 2.606 760 R HA 0.729 5.066 4.340 -0.005 0.000 0.249 760 R C -0.003 176.266 176.300 -0.052 0.000 1.127 760 R CA -0.748 55.345 56.100 -0.012 0.000 1.133 760 R CB 0.739 31.039 30.300 -0.001 0.000 1.243 760 R HN 0.461 nan 8.270 nan 0.000 0.558 761 R N 0.673 121.137 120.500 -0.060 0.000 2.340 761 R HA 0.361 4.699 4.340 -0.005 0.000 0.300 761 R C -0.572 175.618 176.300 -0.184 0.000 1.069 761 R CA -0.147 55.873 56.100 -0.133 0.000 0.984 761 R CB 0.574 30.839 30.300 -0.058 0.000 1.003 761 R HN 0.388 nan 8.270 nan 0.000 0.459 762 L N 3.444 124.452 121.223 -0.358 0.000 2.388 762 L HA 0.587 4.924 4.340 -0.005 0.000 0.264 762 L C -1.065 175.479 176.870 -0.543 0.000 0.998 762 L CA -0.917 53.734 54.840 -0.315 0.000 0.817 762 L CB 1.594 43.540 42.059 -0.188 0.000 1.338 762 L HN 0.461 nan 8.230 nan 0.000 0.414 763 F N 1.397 121.193 119.950 -0.258 0.000 2.540 763 F HA 0.591 5.115 4.527 -0.005 0.000 0.317 763 F C -0.634 174.945 175.800 -0.368 0.000 1.104 763 F CA -0.545 57.349 58.000 -0.176 0.000 0.913 763 F CB 1.775 40.711 39.000 -0.108 0.000 1.170 763 F HN 0.072 nan 8.300 nan 0.000 0.450 764 F N 2.161 122.185 119.950 0.123 0.000 2.539 764 F HA 0.492 5.016 4.527 -0.005 0.000 0.328 764 F C -0.243 175.560 175.800 0.003 0.000 1.148 764 F CA -1.045 56.986 58.000 0.051 0.000 0.940 764 F CB 1.673 40.685 39.000 0.021 0.000 1.194 764 F HN 0.135 nan 8.300 nan 0.000 0.438 765 V N 4.480 124.439 119.914 0.075 0.000 2.775 765 V HA 0.171 4.288 4.120 -0.005 0.000 0.299 765 V C 0.355 176.427 176.094 -0.037 0.000 1.062 765 V CA -0.459 61.794 62.300 -0.078 0.000 1.063 765 V CB 1.227 32.815 31.823 -0.392 0.000 0.994 765 V HN 0.627 nan 8.190 nan 0.000 0.483 766 K N 3.153 123.483 120.400 -0.117 0.000 2.138 766 K HA 0.367 4.684 4.320 -0.005 0.000 0.251 766 K C 1.274 177.729 176.600 -0.241 0.000 1.015 766 K CA 0.188 56.366 56.287 -0.181 0.000 0.917 766 K CB 0.527 32.881 32.500 -0.242 0.000 1.021 766 K HN 0.762 nan 8.250 nan 0.000 0.485 767 A N 1.470 124.211 122.820 -0.131 0.000 2.076 767 A HA -0.187 4.130 4.320 -0.005 0.000 0.220 767 A C 1.720 179.286 177.584 -0.029 0.000 1.160 767 A CA 1.573 53.579 52.037 -0.051 0.000 0.653 767 A CB -0.877 18.121 19.000 -0.002 0.000 0.801 767 A HN 0.879 nan 8.150 nan 0.000 0.455 768 H N -2.360 116.702 119.070 -0.014 0.000 2.562 768 H HA 0.160 4.713 4.556 -0.005 0.000 0.267 768 H C 1.648 177.003 175.328 0.044 0.000 0.959 768 H CA 1.063 57.105 56.048 -0.010 0.000 1.204 768 H CB -0.550 29.171 29.762 -0.067 0.000 1.430 768 H HN 0.237 nan 8.280 nan 0.000 0.545 769 V N 0.682 120.460 119.914 -0.226 0.000 2.273 769 V HA -0.019 4.099 4.120 -0.005 0.000 0.242 769 V C 1.232 177.360 176.094 0.056 0.000 1.035 769 V CA 1.585 63.888 62.300 0.005 0.000 1.013 769 V CB -0.371 31.416 31.823 -0.061 0.000 0.652 769 V HN 0.370 nan 8.190 nan 0.000 0.452 770 R N 0.110 120.615 120.500 0.008 0.000 2.579 770 R HA 0.248 4.585 4.340 -0.005 0.000 0.260 770 R C -1.323 175.010 176.300 0.055 0.000 1.103 770 R CA -0.490 55.660 56.100 0.083 0.000 0.942 770 R CB 1.564 31.968 30.300 0.174 0.000 1.251 770 R HN 0.302 nan 8.270 nan 0.000 0.450 771 E N 1.786 122.028 120.200 0.070 0.000 2.259 771 E HA 0.056 4.403 4.350 -0.005 0.000 0.281 771 E C -0.581 176.055 176.600 0.060 0.000 1.037 771 E CA -0.169 56.260 56.400 0.048 0.000 0.854 771 E CB 1.501 31.223 29.700 0.036 0.000 1.051 771 E HN 0.517 nan 8.360 nan 0.000 0.409 772 S N 4.051 119.773 115.700 0.037 0.000 2.626 772 S HA -0.064 4.404 4.470 -0.005 0.000 0.303 772 S C 1.358 175.958 174.600 0.000 0.000 1.256 772 S CA -0.264 57.950 58.200 0.022 0.000 1.069 772 S CB 0.253 63.455 63.200 0.003 0.000 0.807 772 S HN 0.528 nan 8.310 nan 0.000 0.500 773 L N 4.835 126.053 121.223 -0.008 0.000 2.083 773 L HA -0.126 4.211 4.340 -0.005 0.000 0.209 773 L C 2.209 179.047 176.870 -0.053 0.000 1.083 773 L CA 1.213 56.035 54.840 -0.031 0.000 0.752 773 L CB -0.565 41.465 42.059 -0.049 0.000 0.899 773 L HN 0.688 nan 8.230 nan 0.000 0.433 774 L N -1.360 119.850 121.223 -0.022 0.000 2.156 774 L HA -0.121 4.217 4.340 -0.005 0.000 0.208 774 L C 2.758 179.605 176.870 -0.038 0.000 1.095 774 L CA 0.609 55.436 54.840 -0.021 0.000 0.770 774 L CB -0.453 41.612 42.059 0.010 0.000 0.914 774 L HN 0.144 nan 8.230 nan 0.000 0.439 775 S N 0.254 115.931 115.700 -0.038 0.000 2.355 775 S HA -0.093 4.375 4.470 -0.005 0.000 0.222 775 S C 1.986 176.548 174.600 -0.064 0.000 1.031 775 S CA 1.132 59.309 58.200 -0.038 0.000 0.993 775 S CB -0.145 63.035 63.200 -0.033 0.000 0.859 775 S HN 0.264 nan 8.310 nan 0.000 0.453 776 I N 1.367 121.888 120.570 -0.081 0.000 2.226 776 I HA -0.197 3.970 4.170 -0.005 0.000 0.245 776 I C 2.079 178.068 176.117 -0.213 0.000 1.100 776 I CA 0.954 62.187 61.300 -0.112 0.000 1.374 776 I CB -0.349 37.592 38.000 -0.098 0.000 1.057 776 I HN 0.280 nan 8.210 nan 0.000 0.413 777 L N 0.064 121.106 121.223 -0.302 0.000 2.012 777 L HA -0.250 4.087 4.340 -0.005 0.000 0.210 777 L C 2.562 179.106 176.870 -0.542 0.000 1.073 777 L CA 1.525 55.976 54.840 -0.648 0.000 0.748 777 L CB -0.587 41.015 42.059 -0.762 0.000 0.891 777 L HN 0.262 nan 8.230 nan 0.000 0.431 778 L N -0.737 120.403 121.223 -0.138 0.000 2.046 778 L HA -0.225 4.112 4.340 -0.005 0.000 0.208 778 L C 2.855 179.776 176.870 0.086 0.000 1.077 778 L CA 1.239 56.157 54.840 0.131 0.000 0.747 778 L CB -0.422 41.712 42.059 0.125 0.000 0.896 778 L HN 0.221 nan 8.230 nan 0.000 0.432 779 R N 0.040 120.535 120.500 -0.009 0.000 2.066 779 R HA -0.168 4.169 4.340 -0.005 0.000 0.232 779 R C 1.955 178.255 176.300 -0.000 0.000 1.131 779 R CA 1.821 57.922 56.100 0.001 0.000 0.955 779 R CB -0.112 30.173 30.300 -0.024 0.000 0.851 779 R HN 0.294 nan 8.270 nan 0.000 0.432 780 D N -0.384 119.972 120.400 -0.074 0.000 2.116 780 D HA -0.234 4.403 4.640 -0.005 0.000 0.193 780 D C 1.648 177.978 176.300 0.049 0.000 0.998 780 D CA 1.030 54.987 54.000 -0.072 0.000 0.836 780 D CB -0.405 40.281 40.800 -0.190 0.000 0.951 780 D HN 0.316 nan 8.370 nan 0.000 0.449 781 W N 0.990 122.289 121.300 -0.002 0.000 2.317 781 W HA -0.092 4.565 4.660 -0.005 0.000 0.318 781 W C 2.436 178.955 176.519 -0.000 0.000 1.227 781 W CA 0.493 57.837 57.345 -0.001 0.000 1.269 781 W CB -1.205 28.253 29.460 -0.002 0.000 1.155 781 W HN 0.072 nan 8.180 nan 0.000 0.484 782 L N -0.043 121.318 121.223 0.231 0.000 2.083 782 L HA -0.161 4.176 4.340 -0.005 0.000 0.209 782 L C 2.654 179.578 176.870 0.089 0.000 1.083 782 L CA 1.515 56.432 54.840 0.128 0.000 0.752 782 L CB -1.252 40.864 42.059 0.096 0.000 0.899 782 L HN -0.132 nan 8.230 nan 0.000 0.433 783 A N -0.532 122.335 122.820 0.078 0.000 1.969 783 A HA -0.232 4.085 4.320 -0.005 0.000 0.218 783 A C 2.313 179.932 177.584 0.059 0.000 1.169 783 A CA 1.794 53.862 52.037 0.052 0.000 0.635 783 A CB -0.447 18.573 19.000 0.033 0.000 0.810 783 A HN 0.432 nan 8.150 nan 0.000 0.445 784 M N -0.994 118.659 119.600 0.088 0.000 2.156 784 M HA -0.064 4.413 4.480 -0.005 0.000 0.264 784 M C 2.258 178.601 176.300 0.072 0.000 1.067 784 M CA 1.809 57.161 55.300 0.087 0.000 1.131 784 M CB -0.108 32.572 32.600 0.133 0.000 1.368 784 M HN 0.414 nan 8.290 nan 0.000 0.416 785 R N 0.333 120.880 120.500 0.080 0.000 2.127 785 R HA -0.209 4.128 4.340 -0.005 0.000 0.238 785 R C 2.138 178.459 176.300 0.035 0.000 1.134 785 R CA 1.934 58.063 56.100 0.048 0.000 0.975 785 R CB -0.155 30.171 30.300 0.044 0.000 0.865 785 R HN 0.373 nan 8.270 nan 0.000 0.447 786 K N 0.046 120.469 120.400 0.039 0.000 2.007 786 K HA -0.167 4.150 4.320 -0.005 0.000 0.206 786 K C 2.228 178.843 176.600 0.024 0.000 1.047 786 K CA 1.365 57.669 56.287 0.028 0.000 0.937 786 K CB -0.112 32.404 32.500 0.027 0.000 0.718 786 K HN 0.134 nan 8.250 nan 0.000 0.438 787 Q N 1.464 121.281 119.800 0.028 0.000 2.077 787 Q HA -0.226 4.111 4.340 -0.005 0.000 0.206 787 Q C 2.085 178.099 176.000 0.023 0.000 0.989 787 Q CA 2.243 58.060 55.803 0.024 0.000 0.853 787 Q CB -0.324 28.431 28.738 0.028 0.000 0.907 787 Q HN 0.629 nan 8.270 nan 0.000 0.418 788 I N -1.424 119.161 120.570 0.026 0.000 2.252 788 I HA -0.228 3.940 4.170 -0.005 0.000 0.245 788 I C 2.178 178.305 176.117 0.016 0.000 1.102 788 I CA 1.136 62.450 61.300 0.022 0.000 1.385 788 I CB -0.261 37.752 38.000 0.023 0.000 1.064 788 I HN 0.038 nan 8.210 nan 0.000 0.414 789 R N 1.552 122.061 120.500 0.014 0.000 2.148 789 R HA -0.083 4.254 4.340 -0.005 0.000 0.227 789 R C 2.476 178.782 176.300 0.010 0.000 1.103 789 R CA 1.550 57.656 56.100 0.010 0.000 0.983 789 R CB -0.502 29.803 30.300 0.009 0.000 0.874 789 R HN 0.645 nan 8.270 nan 0.000 0.451 790 S N 0.428 116.135 115.700 0.011 0.000 2.515 790 S HA -0.036 4.431 4.470 -0.005 0.000 0.231 790 S C 1.673 176.279 174.600 0.009 0.000 0.987 790 S CA 0.536 58.742 58.200 0.010 0.000 0.936 790 S CB 0.019 63.225 63.200 0.011 0.000 0.766 790 S HN 0.306 nan 8.310 nan 0.000 0.528 791 R N -0.053 120.453 120.500 0.010 0.000 2.282 791 R HA 0.430 4.767 4.340 -0.005 0.000 0.195 791 R C 1.785 178.090 176.300 0.009 0.000 0.909 791 R CA 0.183 56.289 56.100 0.010 0.000 1.039 791 R CB -0.216 30.091 30.300 0.012 0.000 1.015 791 R HN 0.388 nan 8.270 nan 0.000 0.513 792 I N 1.986 122.561 120.570 0.008 0.000 2.118 792 I HA -0.236 3.932 4.170 -0.005 0.000 0.241 792 I C -0.731 175.390 176.117 0.006 0.000 1.070 792 I CA 1.724 63.029 61.300 0.007 0.000 1.327 792 I CB -1.117 36.886 38.000 0.005 0.000 1.034 792 I HN 0.028 nan 8.210 nan 0.000 0.405 793 P HA -0.171 nan 4.420 nan 0.000 0.218 793 P C 1.299 178.601 177.300 0.004 0.000 1.148 793 P CA 1.382 64.484 63.100 0.004 0.000 0.822 793 P CB -0.040 31.662 31.700 0.004 0.000 0.784 794 Q N -1.147 118.655 119.800 0.005 0.000 2.403 794 Q HA 0.118 4.455 4.340 -0.005 0.000 0.203 794 Q C 0.267 176.270 176.000 0.005 0.000 0.932 794 Q CA 0.107 55.913 55.803 0.004 0.000 0.945 794 Q CB 0.078 28.818 28.738 0.004 0.000 1.045 794 Q HN 0.211 nan 8.270 nan 0.000 0.511 795 S N 0.606 116.309 115.700 0.006 0.000 2.632 795 S HA 0.215 4.682 4.470 -0.005 0.000 0.267 795 S C 0.215 174.819 174.600 0.007 0.000 1.276 795 S CA -0.746 57.458 58.200 0.007 0.000 0.998 795 S CB 1.288 64.493 63.200 0.010 0.000 0.953 795 S HN 0.347 nan 8.310 nan 0.000 0.547 796 S N 1.531 117.235 115.700 0.008 0.000 2.589 796 S HA 0.169 4.636 4.470 -0.005 0.000 0.265 796 S C -2.016 172.590 174.600 0.009 0.000 1.342 796 S CA -0.900 57.304 58.200 0.008 0.000 1.005 796 S CB -0.323 62.882 63.200 0.009 0.000 0.909 796 S HN 0.384 nan 8.310 nan 0.000 0.555 797 P HA -0.113 nan 4.420 nan 0.000 0.216 797 P C 1.115 178.424 177.300 0.015 0.000 1.153 797 P CA 1.378 64.484 63.100 0.010 0.000 0.858 797 P CB -0.040 31.665 31.700 0.009 0.000 0.789 798 E N -0.335 119.876 120.200 0.019 0.000 2.051 798 E HA -0.205 4.142 4.350 -0.005 0.000 0.192 798 E C 2.123 178.741 176.600 0.030 0.000 0.991 798 E CA 1.288 57.705 56.400 0.028 0.000 0.799 798 E CB -0.668 29.051 29.700 0.032 0.000 0.748 798 E HN 0.375 nan 8.360 nan 0.000 0.449 799 E N -0.124 120.091 120.200 0.025 0.000 2.150 799 E HA -0.126 4.221 4.350 -0.005 0.000 0.193 799 E C 1.913 178.525 176.600 0.021 0.000 0.985 799 E CA 0.849 57.265 56.400 0.027 0.000 0.814 799 E CB -0.063 29.651 29.700 0.022 0.000 0.752 799 E HN 0.270 nan 8.360 nan 0.000 0.466 800 A N 0.200 123.029 122.820 0.015 0.000 1.902 800 A HA -0.143 4.174 4.320 -0.005 0.000 0.217 800 A C 2.365 179.953 177.584 0.007 0.000 1.181 800 A CA 1.338 53.381 52.037 0.010 0.000 0.623 800 A CB -0.621 18.384 19.000 0.008 0.000 0.818 800 A HN 0.212 nan 8.150 nan 0.000 0.443 801 V N 0.180 120.099 119.914 0.008 0.000 2.261 801 V HA -0.260 3.857 4.120 -0.005 0.000 0.246 801 V C 2.591 178.680 176.094 -0.008 0.000 1.047 801 V CA 2.008 64.308 62.300 -0.000 0.000 1.015 801 V CB -0.747 31.079 31.823 0.005 0.000 0.642 801 V HN 0.581 nan 8.190 nan 0.000 0.446 802 L N -1.010 120.216 121.223 0.005 0.000 2.042 802 L HA -0.205 4.132 4.340 -0.005 0.000 0.210 802 L C 2.463 179.334 176.870 0.001 0.000 1.076 802 L CA 1.111 55.955 54.840 0.005 0.000 0.749 802 L CB -0.639 41.443 42.059 0.039 0.000 0.893 802 L HN 0.299 nan 8.230 nan 0.000 0.432 803 L N 0.211 121.440 121.223 0.009 0.000 2.083 803 L HA -0.247 4.091 4.340 -0.005 0.000 0.209 803 L C 2.162 179.031 176.870 -0.003 0.000 1.083 803 L CA 2.016 56.861 54.840 0.008 0.000 0.752 803 L CB -0.891 41.175 42.059 0.012 0.000 0.899 803 L HN 0.347 nan 8.230 nan 0.000 0.433 804 D N -1.441 118.955 120.400 -0.008 0.000 2.194 804 D HA -0.146 4.492 4.640 -0.005 0.000 0.204 804 D C 1.967 178.252 176.300 -0.026 0.000 0.964 804 D CA 0.823 54.815 54.000 -0.013 0.000 0.846 804 D CB 0.246 41.040 40.800 -0.010 0.000 0.962 804 D HN 0.013 nan 8.370 nan 0.000 0.490 805 K N 0.331 120.710 120.400 -0.036 0.000 2.057 805 K HA -0.123 4.194 4.320 -0.005 0.000 0.206 805 K C 2.159 178.725 176.600 -0.056 0.000 1.050 805 K CA 0.659 56.912 56.287 -0.056 0.000 0.935 805 K CB -0.538 31.915 32.500 -0.080 0.000 0.715 805 K HN 0.393 nan 8.250 nan 0.000 0.439 806 Q N 1.008 120.784 119.800 -0.040 0.000 2.014 806 Q HA -0.272 4.065 4.340 -0.005 0.000 0.207 806 Q C 2.189 178.165 176.000 -0.041 0.000 0.993 806 Q CA 2.527 58.311 55.803 -0.032 0.000 0.850 806 Q CB -0.021 28.715 28.738 -0.004 0.000 0.916 806 Q HN 0.417 nan 8.270 nan 0.000 0.417 807 Q N -0.458 119.325 119.800 -0.028 0.000 2.167 807 Q HA -0.032 4.305 4.340 -0.005 0.000 0.202 807 Q C 1.699 177.670 176.000 -0.049 0.000 0.970 807 Q CA 1.571 57.355 55.803 -0.030 0.000 0.855 807 Q CB -0.613 28.118 28.738 -0.012 0.000 0.911 807 Q HN 0.343 nan 8.270 nan 0.000 0.438 808 A N 1.327 124.118 122.820 -0.049 0.000 1.908 808 A HA -0.022 4.295 4.320 -0.005 0.000 0.218 808 A C 2.444 179.976 177.584 -0.087 0.000 1.181 808 A CA 2.060 54.063 52.037 -0.058 0.000 0.627 808 A CB -1.243 17.728 19.000 -0.049 0.000 0.818 808 A HN 0.606 nan 8.150 nan 0.000 0.445 809 A N -0.088 122.673 122.820 -0.099 0.000 1.902 809 A HA -0.068 4.249 4.320 -0.005 0.000 0.217 809 A C 2.113 179.574 177.584 -0.205 0.000 1.181 809 A CA 1.458 53.415 52.037 -0.133 0.000 0.623 809 A CB -0.616 18.313 19.000 -0.119 0.000 0.818 809 A HN 0.504 nan 8.150 nan 0.000 0.443 810 I N -0.388 120.056 120.570 -0.210 0.000 2.208 810 I HA -0.308 3.859 4.170 -0.005 0.000 0.245 810 I C 2.562 178.496 176.117 -0.305 0.000 1.097 810 I CA 1.968 63.070 61.300 -0.330 0.000 1.363 810 I CB -0.290 37.599 38.000 -0.184 0.000 1.051 810 I HN 0.401 nan 8.210 nan 0.000 0.413 811 K N 0.968 121.268 120.400 -0.167 0.000 2.063 811 K HA -0.182 4.135 4.320 -0.005 0.000 0.208 811 K C 2.071 178.591 176.600 -0.132 0.000 1.048 811 K CA 1.587 57.805 56.287 -0.116 0.000 0.928 811 K CB 0.015 32.474 32.500 -0.068 0.000 0.713 811 K HN 0.132 nan 8.250 nan 0.000 0.442 812 V N 1.202 121.027 119.914 -0.149 0.000 2.307 812 V HA -0.236 3.882 4.120 -0.005 0.000 0.245 812 V C 2.389 178.379 176.094 -0.174 0.000 1.045 812 V CA 1.824 64.047 62.300 -0.129 0.000 1.024 812 V CB -0.327 31.428 31.823 -0.113 0.000 0.651 812 V HN 0.422 nan 8.190 nan 0.000 0.449 813 V N -2.499 117.227 119.914 -0.314 0.000 2.427 813 V HA -0.225 3.892 4.120 -0.005 0.000 0.248 813 V C 2.291 178.166 176.094 -0.364 0.000 1.051 813 V CA 1.966 64.020 62.300 -0.410 0.000 1.048 813 V CB -1.567 29.829 31.823 -0.712 0.000 0.666 813 V HN 0.534 nan 8.190 nan 0.000 0.456 814 C N 1.315 120.396 119.300 -0.366 0.000 2.413 814 C HA -0.097 4.361 4.460 -0.005 0.000 0.277 814 C C 2.521 177.527 174.990 0.027 0.000 1.265 814 C CA 1.626 60.596 59.018 -0.079 0.000 1.752 814 C CB -1.736 25.998 27.740 -0.009 0.000 1.998 814 C HN 0.685 nan 8.230 nan 0.000 0.489 815 N N 0.215 118.912 118.700 -0.006 0.000 2.521 815 N HA -0.008 4.729 4.740 -0.005 0.000 0.188 815 N C 1.559 177.132 175.510 0.105 0.000 1.146 815 N CA 0.484 53.569 53.050 0.058 0.000 0.893 815 N CB -0.045 38.457 38.487 0.025 0.000 0.975 815 N HN 0.426 nan 8.380 nan 0.000 0.451 816 S N -0.875 114.872 115.700 0.079 0.000 2.499 816 S HA 0.113 4.580 4.470 -0.005 0.000 0.225 816 S C 1.912 176.614 174.600 0.171 0.000 1.050 816 S CA -0.142 58.119 58.200 0.102 0.000 0.928 816 S CB 0.201 63.422 63.200 0.036 0.000 0.803 816 S HN -0.034 nan 8.310 nan 0.000 0.506 817 V N 1.785 121.810 119.914 0.186 0.000 2.277 817 V HA -0.266 3.851 4.120 -0.005 0.000 0.253 817 V C 2.088 178.341 176.094 0.266 0.000 1.067 817 V CA 2.489 64.931 62.300 0.237 0.000 1.047 817 V CB -0.933 31.036 31.823 0.243 0.000 0.649 817 V HN 0.740 nan 8.190 nan 0.000 0.447 818 Y N 1.950 122.340 120.300 0.149 0.000 2.181 818 Y HA -0.089 4.458 4.550 -0.005 0.000 0.288 818 Y C 2.292 178.251 175.900 0.098 0.000 1.146 818 Y CA 1.639 59.797 58.100 0.096 0.000 1.164 818 Y CB -0.961 37.571 38.460 0.120 0.000 0.982 818 Y HN 0.158 nan 8.280 nan 0.000 0.515 819 G N -0.599 108.113 108.800 -0.148 0.000 2.421 819 G HA2 -0.300 3.657 3.960 -0.005 0.000 0.217 819 G HA3 -0.300 3.657 3.960 -0.005 0.000 0.217 819 G C 1.631 176.473 174.900 -0.095 0.000 1.143 819 G CA 0.629 45.584 45.100 -0.242 0.000 0.784 819 G HN 0.529 nan 8.290 nan 0.000 0.541 820 F N 1.866 121.779 119.950 -0.061 0.000 2.202 820 F HA -0.074 4.450 4.527 -0.005 0.000 0.301 820 F C 2.637 178.449 175.800 0.019 0.000 1.082 820 F CA 1.938 59.952 58.000 0.022 0.000 1.313 820 F CB -0.329 38.733 39.000 0.104 0.000 1.024 820 F HN 0.099 nan 8.300 nan 0.000 0.495 821 T N -0.647 113.895 114.554 -0.021 0.000 2.812 821 T HA -0.016 4.331 4.350 -0.005 0.000 0.264 821 T C 1.958 176.537 174.700 -0.201 0.000 1.042 821 T CA 1.366 63.407 62.100 -0.099 0.000 1.140 821 T CB -0.697 68.127 68.868 -0.074 0.000 0.870 821 T HN 0.414 nan 8.240 nan 0.000 0.445 822 G N 0.588 109.216 108.800 -0.287 0.000 2.777 822 G HA2 0.145 4.102 3.960 -0.005 0.000 0.211 822 G HA3 0.145 4.102 3.960 -0.005 0.000 0.211 822 G C 0.428 175.202 174.900 -0.210 0.000 1.149 822 G CA -0.121 44.816 45.100 -0.272 0.000 0.785 822 G HN 0.413 nan 8.290 nan 0.000 0.536 823 V N 2.659 122.449 119.914 -0.207 0.000 2.425 823 V HA 0.113 4.230 4.120 -0.005 0.000 0.276 823 V C 0.480 176.469 176.094 -0.175 0.000 1.017 823 V CA -0.385 61.819 62.300 -0.160 0.000 1.062 823 V CB 0.071 31.810 31.823 -0.140 0.000 0.997 823 V HN 0.628 nan 8.190 nan 0.000 0.476 824 Q N 5.094 124.793 119.800 -0.168 0.000 2.304 824 Q HA 0.219 4.556 4.340 -0.005 0.000 0.260 824 Q C 0.214 176.056 176.000 -0.263 0.000 0.965 824 Q CA -0.518 55.109 55.803 -0.294 0.000 0.898 824 Q CB 0.319 28.859 28.738 -0.330 0.000 1.196 824 Q HN 0.844 nan 8.270 nan 0.000 0.402 825 H N 0.127 119.152 119.070 -0.075 0.000 2.899 825 H HA -0.165 4.388 4.556 -0.005 0.000 0.282 825 H C 0.392 175.670 175.328 -0.084 0.000 1.198 825 H CA 0.877 56.882 56.048 -0.072 0.000 1.140 825 H CB -1.844 27.882 29.762 -0.061 0.000 1.317 825 H HN 0.877 nan 8.280 nan 0.000 0.375 826 G N 0.122 108.884 108.800 -0.063 0.000 2.525 826 G HA2 0.514 4.471 3.960 -0.005 0.000 0.287 826 G HA3 0.514 4.471 3.960 -0.005 0.000 0.287 826 G C 0.592 175.421 174.900 -0.118 0.000 1.350 826 G CA -0.845 44.196 45.100 -0.099 0.000 1.039 826 G HN 0.158 nan 8.290 nan 0.000 0.513 827 L N -0.004 121.139 121.223 -0.133 0.000 2.456 827 L HA 0.125 4.462 4.340 -0.005 0.000 0.272 827 L C 0.691 177.456 176.870 -0.176 0.000 1.189 827 L CA -0.562 54.220 54.840 -0.097 0.000 0.846 827 L CB 0.615 42.646 42.059 -0.046 0.000 1.111 827 L HN 0.406 nan 8.230 nan 0.000 0.475 828 L N 3.594 124.820 121.223 0.005 0.000 4.054 828 L HA -0.164 4.173 4.340 -0.005 0.000 0.475 828 L C -2.014 174.787 176.870 -0.115 0.000 1.166 828 L CA 0.140 54.974 54.840 -0.010 0.000 0.688 828 L CB -1.272 40.857 42.059 0.117 0.000 1.512 828 L HN 0.456 nan 8.230 nan 0.000 0.799 829 P HA 0.247 nan 4.420 nan 0.000 0.276 829 P C -0.625 176.825 177.300 0.250 0.000 1.244 829 P CA -0.446 62.632 63.100 -0.036 0.000 0.801 829 P CB 1.573 33.203 31.700 -0.116 0.000 1.006 830 C N 3.934 123.337 119.300 0.173 0.000 3.309 830 C HA 0.279 4.736 4.460 -0.005 0.000 0.335 830 C C 1.512 176.507 174.990 0.009 0.000 1.018 830 C CA -0.389 58.739 59.018 0.184 0.000 1.326 830 C CB -1.524 26.347 27.740 0.218 0.000 1.752 830 C HN 0.537 nan 8.230 nan 0.000 0.567 831 L N 2.969 124.141 121.223 -0.084 0.000 2.275 831 L HA -0.055 4.282 4.340 -0.005 0.000 0.215 831 L C 2.355 179.209 176.870 -0.026 0.000 1.119 831 L CA 1.165 55.938 54.840 -0.111 0.000 0.790 831 L CB -0.465 41.495 42.059 -0.165 0.000 0.919 831 L HN 0.727 nan 8.230 nan 0.000 0.443 832 H N -0.588 118.525 119.070 0.072 0.000 2.319 832 H HA -0.147 4.406 4.556 -0.005 0.000 0.299 832 H C 2.441 177.851 175.328 0.136 0.000 1.092 832 H CA 1.730 57.845 56.048 0.113 0.000 1.302 832 H CB -0.417 29.438 29.762 0.156 0.000 1.373 832 H HN 0.126 nan 8.280 nan 0.000 0.497 833 V N 1.148 121.198 119.914 0.228 0.000 2.332 833 V HA -0.267 3.850 4.120 -0.005 0.000 0.248 833 V C 2.764 178.872 176.094 0.024 0.000 1.055 833 V CA 1.529 63.888 62.300 0.099 0.000 1.038 833 V CB -1.079 30.685 31.823 -0.099 0.000 0.651 833 V HN 0.493 nan 8.190 nan 0.000 0.450 834 A N 0.162 122.989 122.820 0.012 0.000 1.851 834 A HA -0.177 4.140 4.320 -0.005 0.000 0.216 834 A C 2.479 180.100 177.584 0.061 0.000 1.195 834 A CA 2.377 54.437 52.037 0.040 0.000 0.622 834 A CB -1.091 17.860 19.000 -0.081 0.000 0.831 834 A HN 0.586 nan 8.150 nan 0.000 0.444 835 A N -1.069 121.780 122.820 0.048 0.000 1.917 835 A HA -0.150 4.167 4.320 -0.005 0.000 0.219 835 A C 2.308 179.896 177.584 0.007 0.000 1.182 835 A CA 2.567 54.628 52.037 0.040 0.000 0.633 835 A CB -1.484 17.564 19.000 0.080 0.000 0.819 835 A HN 0.483 nan 8.150 nan 0.000 0.448 836 T N -0.338 114.232 114.554 0.027 0.000 2.720 836 T HA -0.135 4.212 4.350 -0.005 0.000 0.268 836 T C 1.861 176.467 174.700 -0.158 0.000 1.037 836 T CA 1.576 63.650 62.100 -0.044 0.000 1.144 836 T CB -0.521 68.319 68.868 -0.047 0.000 0.864 836 T HN 0.172 nan 8.240 nan 0.000 0.444 837 V N 2.311 122.111 119.914 -0.191 0.000 2.332 837 V HA -0.210 3.907 4.120 -0.005 0.000 0.248 837 V C 3.002 178.854 176.094 -0.404 0.000 1.055 837 V CA 2.264 64.372 62.300 -0.320 0.000 1.038 837 V CB -1.343 30.230 31.823 -0.417 0.000 0.651 837 V HN 0.754 nan 8.190 nan 0.000 0.450 838 T N -3.121 111.224 114.554 -0.348 0.000 2.904 838 T HA -0.147 4.200 4.350 -0.005 0.000 0.267 838 T C 1.744 176.371 174.700 -0.123 0.000 1.059 838 T CA 1.685 63.632 62.100 -0.255 0.000 1.137 838 T CB -0.535 68.248 68.868 -0.143 0.000 0.879 838 T HN 0.487 nan 8.240 nan 0.000 0.467 839 T N 2.472 116.961 114.554 -0.107 0.000 2.732 839 T HA 0.169 4.516 4.350 -0.005 0.000 0.261 839 T C 1.970 176.608 174.700 -0.103 0.000 1.040 839 T CA 1.069 63.121 62.100 -0.080 0.000 1.145 839 T CB -0.431 68.400 68.868 -0.062 0.000 0.866 839 T HN 0.348 nan 8.240 nan 0.000 0.427 840 I N 1.562 122.042 120.570 -0.150 0.000 2.264 840 I HA -0.152 4.015 4.170 -0.005 0.000 0.248 840 I C 2.875 178.900 176.117 -0.154 0.000 1.111 840 I CA 1.325 62.520 61.300 -0.175 0.000 1.382 840 I CB -0.828 37.018 38.000 -0.256 0.000 1.060 840 I HN 0.336 nan 8.210 nan 0.000 0.418 841 G N 0.667 109.380 108.800 -0.146 0.000 2.421 841 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.216 841 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.216 841 G C 1.726 176.574 174.900 -0.086 0.000 1.171 841 G CA 0.829 45.849 45.100 -0.134 0.000 0.775 841 G HN 0.283 nan 8.290 nan 0.000 0.543 842 R N 0.722 121.193 120.500 -0.047 0.000 2.113 842 R HA -0.162 4.175 4.340 -0.005 0.000 0.244 842 R C 2.525 178.820 176.300 -0.008 0.000 1.142 842 R CA 2.155 58.242 56.100 -0.022 0.000 0.953 842 R CB -0.342 29.945 30.300 -0.022 0.000 0.860 842 R HN 0.532 nan 8.270 nan 0.000 0.438 843 E N 0.015 120.203 120.200 -0.020 0.000 2.051 843 E HA -0.238 4.109 4.350 -0.005 0.000 0.192 843 E C 2.152 178.796 176.600 0.072 0.000 0.991 843 E CA 1.747 58.157 56.400 0.016 0.000 0.799 843 E CB -0.219 29.481 29.700 -0.000 0.000 0.748 843 E HN 0.455 nan 8.360 nan 0.000 0.449 844 M N 0.653 120.269 119.600 0.028 0.000 2.213 844 M HA -0.156 4.322 4.480 -0.005 0.000 0.263 844 M C 2.247 178.689 176.300 0.237 0.000 1.062 844 M CA 1.214 56.568 55.300 0.091 0.000 1.105 844 M CB -0.163 32.184 32.600 -0.420 0.000 1.385 844 M HN 0.109 nan 8.290 nan 0.000 0.417 845 L N -0.342 120.972 121.223 0.153 0.000 2.023 845 L HA -0.166 4.172 4.340 -0.005 0.000 0.205 845 L C 2.329 179.293 176.870 0.157 0.000 1.073 845 L CA 1.024 55.985 54.840 0.203 0.000 0.745 845 L CB -0.679 41.451 42.059 0.118 0.000 0.900 845 L HN 0.316 nan 8.230 nan 0.000 0.435 846 L N -0.096 121.186 121.223 0.099 0.000 2.129 846 L HA -0.235 4.103 4.340 -0.005 0.000 0.212 846 L C 2.818 179.748 176.870 0.100 0.000 1.087 846 L CA 1.295 56.178 54.840 0.073 0.000 0.757 846 L CB -0.890 41.198 42.059 0.048 0.000 0.896 846 L HN 0.296 nan 8.230 nan 0.000 0.434 847 A N -0.228 122.686 122.820 0.157 0.000 1.930 847 A HA -0.138 4.179 4.320 -0.005 0.000 0.217 847 A C 2.331 180.038 177.584 0.205 0.000 1.175 847 A CA 1.982 54.123 52.037 0.173 0.000 0.627 847 A CB -0.659 18.468 19.000 0.210 0.000 0.815 847 A HN 0.405 nan 8.150 nan 0.000 0.443 848 T N -0.633 114.089 114.554 0.279 0.000 2.904 848 T HA -0.093 4.254 4.350 -0.005 0.000 0.267 848 T C 2.062 176.877 174.700 0.191 0.000 1.059 848 T CA 1.056 63.322 62.100 0.277 0.000 1.137 848 T CB -0.208 68.862 68.868 0.338 0.000 0.879 848 T HN 0.454 nan 8.240 nan 0.000 0.467 849 R N 1.706 122.259 120.500 0.089 0.000 2.075 849 R HA -0.110 4.227 4.340 -0.005 0.000 0.230 849 R C 2.081 178.278 176.300 -0.172 0.000 1.140 849 R CA 1.837 57.874 56.100 -0.104 0.000 0.928 849 R CB -0.510 29.718 30.300 -0.121 0.000 0.834 849 R HN 0.477 nan 8.270 nan 0.000 0.429 850 E N -0.630 119.541 120.200 -0.048 0.000 2.114 850 E HA -0.268 4.079 4.350 -0.005 0.000 0.199 850 E C 1.921 178.545 176.600 0.039 0.000 1.008 850 E CA 1.947 58.349 56.400 0.004 0.000 0.810 850 E CB -0.401 29.324 29.700 0.042 0.000 0.739 850 E HN 0.427 nan 8.360 nan 0.000 0.456 851 Y N 1.055 121.329 120.300 -0.042 0.000 2.114 851 Y HA -0.277 4.270 4.550 -0.005 0.000 0.284 851 Y C 2.300 178.124 175.900 -0.127 0.000 1.143 851 Y CA 1.416 59.460 58.100 -0.094 0.000 1.135 851 Y CB -0.286 38.118 38.460 -0.094 0.000 0.980 851 Y HN -0.175 nan 8.280 nan 0.000 0.499 852 V N 0.388 120.437 119.914 0.224 0.000 2.252 852 V HA -0.412 3.705 4.120 -0.005 0.000 0.249 852 V C 2.131 178.383 176.094 0.263 0.000 1.056 852 V CA 2.580 65.075 62.300 0.325 0.000 1.022 852 V CB -0.917 31.204 31.823 0.497 0.000 0.641 852 V HN 0.573 nan 8.190 nan 0.000 0.445 853 H N -0.660 118.471 119.070 0.102 0.000 2.421 853 H HA -0.098 4.455 4.556 -0.005 0.000 0.298 853 H C 2.243 177.556 175.328 -0.025 0.000 1.087 853 H CA 0.920 57.003 56.048 0.058 0.000 1.330 853 H CB 0.045 29.838 29.762 0.052 0.000 1.388 853 H HN 0.509 nan 8.280 nan 0.000 0.526 854 A N 1.053 123.868 122.820 -0.007 0.000 1.855 854 A HA -0.097 4.221 4.320 -0.005 0.000 0.213 854 A C 2.273 179.703 177.584 -0.257 0.000 1.195 854 A CA 0.923 52.876 52.037 -0.141 0.000 0.610 854 A CB -0.285 18.580 19.000 -0.226 0.000 0.837 854 A HN 0.213 nan 8.150 nan 0.000 0.444 855 R N -1.901 118.272 120.500 -0.545 0.000 2.093 855 R HA -0.078 4.259 4.340 -0.005 0.000 0.224 855 R C 0.465 176.500 176.300 -0.441 0.000 1.101 855 R CA 1.072 56.718 56.100 -0.757 0.000 0.979 855 R CB -0.032 29.338 30.300 -1.549 0.000 0.877 855 R HN 0.706 nan 8.270 nan 0.000 0.441 856 W N -0.428 120.901 121.300 0.049 0.000 2.771 856 W HA 0.378 5.035 4.660 -0.004 0.000 0.412 856 W C 1.153 177.808 176.519 0.226 0.000 0.965 856 W CA -0.669 56.764 57.345 0.147 0.000 2.045 856 W CB -0.232 29.350 29.460 0.204 0.000 1.176 856 W HN 0.132 nan 8.180 nan 0.000 0.634 857 A N 1.694 124.677 122.820 0.271 0.000 1.929 857 A HA 0.011 4.328 4.320 -0.005 0.000 0.221 857 A C 1.324 179.114 177.584 0.343 0.000 1.211 857 A CA 2.369 54.531 52.037 0.208 0.000 0.657 857 A CB -0.504 18.558 19.000 0.104 0.000 0.827 857 A HN 0.116 nan 8.150 nan 0.000 0.462 858 A N -3.390 119.652 122.820 0.369 0.000 2.355 858 A HA 0.625 4.942 4.320 -0.005 0.000 0.324 858 A C 0.388 178.131 177.584 0.265 0.000 1.117 858 A CA -0.352 51.926 52.037 0.402 0.000 0.785 858 A CB 0.414 19.546 19.000 0.219 0.000 1.254 858 A HN 0.500 nan 8.150 nan 0.000 0.453 859 F N 1.020 120.834 119.950 -0.226 0.000 2.091 859 F HA -0.219 4.305 4.527 -0.005 0.000 0.299 859 F C 2.014 177.705 175.800 -0.181 0.000 1.103 859 F CA 2.758 60.430 58.000 -0.547 0.000 1.228 859 F CB -0.208 38.469 39.000 -0.538 0.000 0.984 859 F HN 0.860 nan 8.300 nan 0.000 0.477 860 E N -0.019 120.190 120.200 0.015 0.000 2.095 860 E HA -0.321 4.026 4.350 -0.005 0.000 0.212 860 E C 2.271 178.814 176.600 -0.096 0.000 1.044 860 E CA 2.142 58.522 56.400 -0.033 0.000 0.857 860 E CB -0.513 29.208 29.700 0.035 0.000 0.764 860 E HN 0.380 nan 8.360 nan 0.000 0.462 861 Q N -0.265 119.532 119.800 -0.006 0.000 2.050 861 Q HA -0.134 4.203 4.340 -0.005 0.000 0.202 861 Q C 2.244 178.290 176.000 0.077 0.000 0.980 861 Q CA 0.884 56.723 55.803 0.060 0.000 0.840 861 Q CB -0.476 28.343 28.738 0.135 0.000 0.898 861 Q HN 0.351 nan 8.270 nan 0.000 0.424 862 L N 0.587 121.826 121.223 0.027 0.000 2.043 862 L HA -0.203 4.134 4.340 -0.005 0.000 0.212 862 L C 2.241 178.934 176.870 -0.295 0.000 1.075 862 L CA 1.397 56.131 54.840 -0.177 0.000 0.752 862 L CB -0.618 41.199 42.059 -0.404 0.000 0.891 862 L HN 0.310 nan 8.230 nan 0.000 0.432 863 L N -0.665 120.243 121.223 -0.526 0.000 2.291 863 L HA -0.137 4.200 4.340 -0.005 0.000 0.214 863 L C 2.546 179.286 176.870 -0.217 0.000 1.120 863 L CA 1.043 55.617 54.840 -0.444 0.000 0.799 863 L CB -0.277 41.468 42.059 -0.524 0.000 0.925 863 L HN 0.308 nan 8.230 nan 0.000 0.446 864 A N -0.400 122.318 122.820 -0.171 0.000 1.872 864 A HA -0.192 4.126 4.320 -0.005 0.000 0.214 864 A C 1.793 179.270 177.584 -0.179 0.000 1.187 864 A CA 1.597 53.561 52.037 -0.121 0.000 0.614 864 A CB -0.401 18.555 19.000 -0.072 0.000 0.826 864 A HN 0.414 nan 8.150 nan 0.000 0.442 865 D N -1.501 118.739 120.400 -0.266 0.000 2.312 865 D HA 0.049 4.686 4.640 -0.005 0.000 0.211 865 D C -0.598 175.076 176.300 -1.044 0.000 0.964 865 D CA 0.875 54.491 54.000 -0.640 0.000 0.877 865 D CB 0.019 40.330 40.800 -0.815 0.000 0.924 865 D HN 0.465 nan 8.370 nan 0.000 0.515 866 F N 0.115 120.000 119.950 -0.109 0.000 3.094 866 F HA 0.210 4.734 4.527 -0.005 0.000 0.385 866 F C -2.008 173.706 175.800 -0.143 0.000 1.231 866 F CA -1.594 56.325 58.000 -0.134 0.000 1.207 866 F CB 2.049 40.926 39.000 -0.205 0.000 1.703 866 F HN -0.258 nan 8.300 nan 0.000 0.610 867 P HA 0.003 nan 4.420 nan 0.000 0.263 867 P C 0.127 177.438 177.300 0.019 0.000 1.386 867 P CA 0.687 63.786 63.100 -0.002 0.000 0.797 867 P CB 0.080 31.775 31.700 -0.009 0.000 1.381 868 E N -0.329 119.893 120.200 0.036 0.000 2.431 868 E HA 0.160 4.507 4.350 -0.005 0.000 0.200 868 E C 2.094 178.701 176.600 0.012 0.000 0.995 868 E CA 0.315 56.725 56.400 0.017 0.000 0.915 868 E CB -0.588 29.113 29.700 0.003 0.000 0.930 868 E HN 0.102 nan 8.360 nan 0.000 0.496 869 A N 1.641 124.460 122.820 -0.001 0.000 2.131 869 A HA -0.106 4.211 4.320 -0.005 0.000 0.220 869 A C 2.334 180.025 177.584 0.178 0.000 1.158 869 A CA 1.452 53.508 52.037 0.032 0.000 0.665 869 A CB -0.742 18.165 19.000 -0.154 0.000 0.795 869 A HN 0.294 nan 8.150 nan 0.000 0.460 870 A N -0.195 122.688 122.820 0.105 0.000 1.903 870 A HA -0.253 4.064 4.320 -0.005 0.000 0.219 870 A C 1.553 179.200 177.584 0.105 0.000 1.191 870 A CA 2.127 54.241 52.037 0.128 0.000 0.638 870 A CB -0.491 18.547 19.000 0.064 0.000 0.823 870 A HN 0.478 nan 8.150 nan 0.000 0.451 871 D N -2.234 118.205 120.400 0.065 0.000 2.615 871 D HA 0.422 5.059 4.640 -0.005 0.000 0.236 871 D C 0.736 177.056 176.300 0.033 0.000 1.233 871 D CA -0.005 54.020 54.000 0.042 0.000 0.829 871 D CB 0.046 40.860 40.800 0.024 0.000 1.024 871 D HN 0.337 nan 8.370 nan 0.000 0.490 872 M N -0.362 119.273 119.600 0.059 0.000 2.346 872 M HA 0.236 4.713 4.480 -0.005 0.000 0.280 872 M C 0.299 176.625 176.300 0.042 0.000 1.075 872 M CA -0.374 54.949 55.300 0.039 0.000 0.989 872 M CB 0.652 33.267 32.600 0.026 0.000 1.447 872 M HN -0.218 nan 8.290 nan 0.000 0.511 873 R N 1.588 122.100 120.500 0.021 0.000 2.288 873 R HA 0.482 4.820 4.340 -0.005 0.000 0.330 873 R C -0.622 175.627 176.300 -0.085 0.000 1.069 873 R CA 0.093 56.123 56.100 -0.117 0.000 0.941 873 R CB 0.180 30.305 30.300 -0.292 0.000 0.998 873 R HN 0.223 nan 8.270 nan 0.000 0.452 874 A N 6.098 128.879 122.820 -0.065 0.000 2.256 874 A HA 0.521 4.839 4.320 -0.005 0.000 0.318 874 A C -1.542 176.012 177.584 -0.051 0.000 1.103 874 A CA -1.495 50.520 52.037 -0.037 0.000 0.860 874 A CB 0.331 19.326 19.000 -0.008 0.000 1.182 874 A HN 0.695 nan 8.150 nan 0.000 0.501 875 P HA -0.136 nan 4.420 nan 0.000 0.216 875 P C 1.166 178.450 177.300 -0.027 0.000 1.167 875 P CA 1.824 64.907 63.100 -0.028 0.000 0.914 875 P CB -0.239 31.454 31.700 -0.011 0.000 0.793 876 G N 0.161 108.954 108.800 -0.012 0.000 2.518 876 G HA2 0.196 4.154 3.960 -0.005 0.000 0.284 876 G HA3 0.196 4.154 3.960 -0.005 0.000 0.284 876 G C -2.090 172.809 174.900 -0.000 0.000 1.362 876 G CA -0.527 44.572 45.100 -0.002 0.000 1.065 876 G HN 0.148 nan 8.290 nan 0.000 0.561 877 P HA 0.177 nan 4.420 nan 0.000 0.277 877 P C -1.480 175.858 177.300 0.063 0.000 1.240 877 P CA -0.279 62.841 63.100 0.034 0.000 0.798 877 P CB 0.902 32.617 31.700 0.025 0.000 0.979 878 Y N 1.868 122.152 120.300 -0.028 0.000 2.335 878 Y HA 0.456 5.003 4.550 -0.005 0.000 0.339 878 Y C -0.396 175.528 175.900 0.040 0.000 0.987 878 Y CA -0.054 58.046 58.100 0.001 0.000 1.140 878 Y CB 0.948 39.411 38.460 0.004 0.000 1.173 878 Y HN 0.505 nan 8.280 nan 0.000 0.486 879 S N 6.309 121.632 115.700 -0.629 0.000 2.564 879 S HA 0.639 5.107 4.470 -0.005 0.000 0.274 879 S C -1.068 173.122 174.600 -0.683 0.000 1.124 879 S CA -1.117 56.697 58.200 -0.642 0.000 0.869 879 S CB 1.842 64.887 63.200 -0.259 0.000 1.105 879 S HN 0.886 nan 8.310 nan 0.000 0.472 880 M N 2.188 121.508 119.600 -0.467 0.000 2.031 880 M HA 0.577 5.054 4.480 -0.005 0.000 0.273 880 M C -1.421 174.883 176.300 0.007 0.000 0.904 880 M CA -0.273 54.921 55.300 -0.177 0.000 0.963 880 M CB 0.921 33.523 32.600 0.003 0.000 1.707 880 M HN 0.788 nan 8.290 nan 0.000 0.427 881 R N 3.037 123.546 120.500 0.016 0.000 2.599 881 R HA 0.650 4.987 4.340 -0.005 0.000 0.295 881 R C -1.314 175.129 176.300 0.239 0.000 0.963 881 R CA -0.457 55.718 56.100 0.126 0.000 0.883 881 R CB 1.654 31.939 30.300 -0.025 0.000 1.171 881 R HN 0.677 nan 8.270 nan 0.000 0.450 882 I N 3.861 124.705 120.570 0.456 0.000 2.471 882 I HA 0.067 4.234 4.170 -0.005 0.000 0.286 882 I C 0.826 177.036 176.117 0.155 0.000 1.079 882 I CA 0.459 61.880 61.300 0.201 0.000 1.398 882 I CB 1.121 39.167 38.000 0.078 0.000 1.403 882 I HN 0.628 nan 8.210 nan 0.000 0.530 883 I N 7.410 128.044 120.570 0.107 0.000 4.240 883 I HA 0.280 4.447 4.170 -0.005 0.000 0.331 883 I C -0.963 175.237 176.117 0.138 0.000 1.381 883 I CA -0.113 61.242 61.300 0.092 0.000 1.136 883 I CB -0.183 37.820 38.000 0.005 0.000 1.137 883 I HN 0.467 nan 8.210 nan 0.000 0.411 884 Y N -0.344 119.920 120.300 -0.060 0.000 2.436 884 Y HA 0.633 5.180 4.550 -0.005 0.000 0.327 884 Y C -0.518 175.213 175.900 -0.281 0.000 1.138 884 Y CA -0.579 57.395 58.100 -0.211 0.000 1.042 884 Y CB 1.124 39.344 38.460 -0.400 0.000 1.302 884 Y HN -0.062 nan 8.280 nan 0.000 0.439 885 G N 3.246 111.576 108.800 -0.784 0.000 2.605 885 G HA2 0.600 4.557 3.960 -0.005 0.000 0.296 885 G HA3 0.600 4.557 3.960 -0.005 0.000 0.296 885 G C -1.645 172.742 174.900 -0.856 0.000 1.304 885 G CA -0.253 44.494 45.100 -0.587 0.000 0.941 885 G HN 0.749 nan 8.290 nan 0.000 0.475 886 D N -2.005 118.139 120.400 -0.428 0.000 4.389 886 D HA 0.244 4.881 4.640 -0.005 0.000 0.260 886 D C 1.152 177.394 176.300 -0.098 0.000 1.677 886 D CA 0.430 54.265 54.000 -0.275 0.000 1.046 886 D CB -0.310 40.384 40.800 -0.175 0.000 1.482 886 D HN 0.215 nan 8.370 nan 0.000 0.644 887 T N -0.994 113.539 114.554 -0.034 0.000 2.976 887 T HA 0.117 4.464 4.350 -0.005 0.000 0.257 887 T C 0.002 174.690 174.700 -0.021 0.000 1.051 887 T CA 1.625 63.713 62.100 -0.021 0.000 1.141 887 T CB -0.224 68.624 68.868 -0.033 0.000 0.881 887 T HN 0.587 nan 8.240 nan 0.000 0.461 888 D N 0.057 120.473 120.400 0.026 0.000 2.530 888 D HA 0.161 4.799 4.640 -0.005 0.000 0.253 888 D C 0.172 176.601 176.300 0.215 0.000 1.338 888 D CA -0.322 53.762 54.000 0.141 0.000 0.806 888 D CB -0.205 40.611 40.800 0.027 0.000 1.160 888 D HN 0.333 nan 8.370 nan 0.000 0.514 889 S N -0.581 115.201 115.700 0.138 0.000 2.595 889 S HA 0.797 5.264 4.470 -0.005 0.000 0.281 889 S C -1.081 173.582 174.600 0.104 0.000 1.117 889 S CA -0.813 57.476 58.200 0.148 0.000 0.873 889 S CB 1.893 65.230 63.200 0.228 0.000 1.108 889 S HN 0.070 nan 8.310 nan 0.000 0.477 890 I N 2.079 122.753 120.570 0.174 0.000 2.533 890 I HA 0.482 4.650 4.170 -0.005 0.000 0.290 890 I C -1.420 174.895 176.117 0.330 0.000 1.056 890 I CA -0.518 60.875 61.300 0.155 0.000 1.057 890 I CB 1.808 39.902 38.000 0.157 0.000 1.240 890 I HN 0.569 nan 8.210 nan 0.000 0.423 891 F N 5.925 125.936 119.950 0.101 0.000 2.410 891 F HA 0.493 5.017 4.527 -0.005 0.000 0.349 891 F C 0.147 175.892 175.800 -0.092 0.000 1.117 891 F CA -1.221 56.758 58.000 -0.034 0.000 1.104 891 F CB 1.343 40.313 39.000 -0.050 0.000 1.122 891 F HN -0.075 nan 8.300 nan 0.000 0.483 892 V N 5.666 125.558 119.914 -0.037 0.000 2.350 892 V HA 0.247 4.364 4.120 -0.005 0.000 0.285 892 V C -0.376 175.655 176.094 -0.105 0.000 1.014 892 V CA -0.856 61.399 62.300 -0.075 0.000 0.831 892 V CB 1.623 33.344 31.823 -0.171 0.000 1.000 892 V HN 0.501 nan 8.190 nan 0.000 0.433 893 L N 6.285 127.462 121.223 -0.077 0.000 2.360 893 L HA 0.366 4.703 4.340 -0.005 0.000 0.276 893 L C -0.016 176.804 176.870 -0.083 0.000 1.121 893 L CA 0.454 55.224 54.840 -0.116 0.000 0.845 893 L CB 0.575 42.547 42.059 -0.144 0.000 1.143 893 L HN 0.759 nan 8.230 nan 0.000 0.452 894 C N 6.001 125.255 119.300 -0.076 0.000 2.439 894 C HA 0.425 4.882 4.460 -0.005 0.000 0.298 894 C C 0.592 175.562 174.990 -0.032 0.000 1.094 894 C CA -0.910 58.078 59.018 -0.050 0.000 1.609 894 C CB -1.004 26.725 27.740 -0.018 0.000 1.723 894 C HN 0.734 nan 8.230 nan 0.000 0.423 895 R N 1.083 121.540 120.500 -0.071 0.000 2.449 895 R HA 0.406 4.743 4.340 -0.005 0.000 0.296 895 R C 1.339 177.645 176.300 0.010 0.000 1.047 895 R CA 1.225 57.303 56.100 -0.037 0.000 1.018 895 R CB 0.261 30.528 30.300 -0.055 0.000 0.962 895 R HN 1.022 nan 8.270 nan 0.000 0.428 896 G N 2.322 111.153 108.800 0.050 0.000 2.176 896 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.232 896 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.232 896 G C -0.079 174.874 174.900 0.089 0.000 0.986 896 G CA -0.539 44.612 45.100 0.085 0.000 0.643 896 G HN 0.424 nan 8.290 nan 0.000 0.522 897 L N 1.474 122.753 121.223 0.094 0.000 2.342 897 L HA 0.651 4.988 4.340 -0.005 0.000 0.271 897 L C 1.087 177.970 176.870 0.022 0.000 1.008 897 L CA -0.597 54.283 54.840 0.068 0.000 0.818 897 L CB 1.938 44.056 42.059 0.097 0.000 1.296 897 L HN 0.300 nan 8.230 nan 0.000 0.427 898 T N -1.529 113.028 114.554 0.006 0.000 2.898 898 T HA 0.297 4.644 4.350 -0.005 0.000 0.301 898 T C 1.068 175.744 174.700 -0.039 0.000 1.049 898 T CA -0.062 62.037 62.100 -0.002 0.000 1.095 898 T CB 1.657 70.524 68.868 -0.000 0.000 0.976 898 T HN 0.689 nan 8.240 nan 0.000 0.539 899 A N 1.940 124.744 122.820 -0.025 0.000 2.014 899 A HA 0.302 4.620 4.320 -0.005 0.000 0.218 899 A C 2.543 179.913 177.584 -0.355 0.000 1.163 899 A CA 1.371 53.339 52.037 -0.114 0.000 0.652 899 A CB -1.501 17.544 19.000 0.075 0.000 0.808 899 A HN 1.343 nan 8.150 nan 0.000 0.449 900 A N -0.236 122.471 122.820 -0.189 0.000 1.997 900 A HA -0.141 4.176 4.320 -0.005 0.000 0.237 900 A C 2.174 179.558 177.584 -0.332 0.000 1.807 900 A CA 2.301 54.219 52.037 -0.199 0.000 0.863 900 A CB -1.537 17.436 19.000 -0.046 0.000 0.821 900 A HN 1.136 nan 8.150 nan 0.000 0.500 901 G N -2.061 106.614 108.800 -0.208 0.000 3.371 901 G HA2 0.359 4.316 3.960 -0.005 0.000 0.248 901 G HA3 0.359 4.316 3.960 -0.005 0.000 0.248 901 G C 0.874 175.643 174.900 -0.219 0.000 1.161 901 G CA 0.580 45.566 45.100 -0.192 0.000 0.796 901 G HN 0.450 nan 8.290 nan 0.000 0.539 902 L N 0.041 121.099 121.223 -0.275 0.000 2.240 902 L HA 0.167 4.505 4.340 -0.005 0.000 0.211 902 L C 2.496 179.233 176.870 -0.221 0.000 1.106 902 L CA 1.733 56.435 54.840 -0.230 0.000 0.793 902 L CB -0.381 41.546 42.059 -0.220 0.000 0.927 902 L HN 0.094 nan 8.230 nan 0.000 0.446 903 T N -0.615 113.796 114.554 -0.238 0.000 2.896 903 T HA 0.033 4.380 4.350 -0.005 0.000 0.263 903 T C 1.893 176.510 174.700 -0.139 0.000 1.050 903 T CA 0.936 62.929 62.100 -0.178 0.000 1.140 903 T CB -0.155 68.607 68.868 -0.177 0.000 0.877 903 T HN 0.444 nan 8.240 nan 0.000 0.457 904 A N 1.510 124.239 122.820 -0.151 0.000 1.902 904 A HA -0.010 4.307 4.320 -0.005 0.000 0.217 904 A C 2.274 179.769 177.584 -0.149 0.000 1.181 904 A CA 1.642 53.606 52.037 -0.121 0.000 0.623 904 A CB -0.625 18.313 19.000 -0.104 0.000 0.818 904 A HN 0.507 nan 8.150 nan 0.000 0.443 905 M N -0.346 119.132 119.600 -0.204 0.000 2.254 905 M HA 0.017 4.495 4.480 -0.005 0.000 0.265 905 M C 1.982 178.056 176.300 -0.376 0.000 1.066 905 M CA 1.532 56.632 55.300 -0.333 0.000 1.123 905 M CB -0.314 32.069 32.600 -0.363 0.000 1.388 905 M HN 0.365 nan 8.290 nan 0.000 0.425 906 G N -0.000 108.678 108.800 -0.203 0.000 2.450 906 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.220 906 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.220 906 G C 1.017 175.920 174.900 0.005 0.000 1.130 906 G CA 1.498 46.603 45.100 0.007 0.000 0.760 906 G HN 0.532 nan 8.290 nan 0.000 0.557 907 D N 0.093 120.449 120.400 -0.074 0.000 2.117 907 D HA -0.017 4.621 4.640 -0.005 0.000 0.198 907 D C 2.507 178.744 176.300 -0.105 0.000 0.982 907 D CA 0.854 54.804 54.000 -0.084 0.000 0.828 907 D CB -0.042 40.722 40.800 -0.060 0.000 0.967 907 D HN 0.248 nan 8.370 nan 0.000 0.464 908 K N -0.429 119.889 120.400 -0.136 0.000 2.097 908 K HA -0.113 4.204 4.320 -0.005 0.000 0.206 908 K C 2.211 178.831 176.600 0.032 0.000 1.049 908 K CA 0.947 57.213 56.287 -0.035 0.000 0.933 908 K CB -0.121 32.369 32.500 -0.017 0.000 0.717 908 K HN 0.292 nan 8.250 nan 0.000 0.442 909 M N 0.391 119.839 119.600 -0.254 0.000 2.086 909 M HA -0.158 4.319 4.480 -0.005 0.000 0.261 909 M C 2.495 178.757 176.300 -0.064 0.000 1.067 909 M CA 1.615 56.858 55.300 -0.095 0.000 1.116 909 M CB -0.448 31.972 32.600 -0.300 0.000 1.348 909 M HN 0.197 nan 8.290 nan 0.000 0.407 910 A N 0.651 123.252 122.820 -0.364 0.000 1.851 910 A HA -0.213 4.104 4.320 -0.005 0.000 0.216 910 A C 2.314 179.804 177.584 -0.157 0.000 1.195 910 A CA 2.586 54.324 52.037 -0.499 0.000 0.622 910 A CB -1.178 17.521 19.000 -0.502 0.000 0.831 910 A HN 0.588 nan 8.150 nan 0.000 0.444 911 S N -1.138 114.530 115.700 -0.053 0.000 2.423 911 S HA -0.222 4.246 4.470 -0.005 0.000 0.231 911 S C 1.824 176.473 174.600 0.082 0.000 1.014 911 S CA 1.461 59.671 58.200 0.017 0.000 0.965 911 S CB -0.811 62.403 63.200 0.023 0.000 0.785 911 S HN 0.815 nan 8.310 nan 0.000 0.495 912 H N 1.316 120.427 119.070 0.067 0.000 2.321 912 H HA 0.065 4.618 4.556 -0.005 0.000 0.300 912 H C 1.875 177.190 175.328 -0.021 0.000 1.087 912 H CA 1.965 58.084 56.048 0.117 0.000 1.319 912 H CB -0.342 29.632 29.762 0.354 0.000 1.379 912 H HN 0.409 nan 8.280 nan 0.000 0.501 913 I N -0.035 120.646 120.570 0.186 0.000 2.286 913 I HA -0.282 3.885 4.170 -0.005 0.000 0.248 913 I C 2.645 178.611 176.117 -0.252 0.000 1.115 913 I CA 1.156 62.332 61.300 -0.206 0.000 1.392 913 I CB -0.336 37.550 38.000 -0.189 0.000 1.065 913 I HN 0.287 nan 8.210 nan 0.000 0.418 914 S N 0.483 116.160 115.700 -0.038 0.000 2.359 914 S HA -0.227 4.240 4.470 -0.005 0.000 0.223 914 S C 2.077 176.654 174.600 -0.039 0.000 1.039 914 S CA 1.575 59.834 58.200 0.098 0.000 1.042 914 S CB -0.262 63.007 63.200 0.115 0.000 0.915 914 S HN 0.356 nan 8.310 nan 0.000 0.439 915 R N 0.854 121.300 120.500 -0.090 0.000 2.152 915 R HA 0.021 4.358 4.340 -0.005 0.000 0.232 915 R C 2.206 178.395 176.300 -0.184 0.000 1.117 915 R CA 1.215 57.246 56.100 -0.115 0.000 0.981 915 R CB -0.278 29.945 30.300 -0.128 0.000 0.870 915 R HN 0.400 nan 8.270 nan 0.000 0.451 916 A N -0.208 122.438 122.820 -0.289 0.000 2.030 916 A HA 0.124 4.441 4.320 -0.005 0.000 0.215 916 A C 1.766 179.123 177.584 -0.378 0.000 1.164 916 A CA 0.607 52.453 52.037 -0.319 0.000 0.697 916 A CB 0.243 19.014 19.000 -0.381 0.000 0.827 916 A HN 0.166 nan 8.150 nan 0.000 0.457 917 L N -2.691 118.173 121.223 -0.598 0.000 2.766 917 L HA 0.384 4.721 4.340 -0.005 0.000 0.241 917 L C -0.456 176.017 176.870 -0.661 0.000 1.080 917 L CA 0.141 54.475 54.840 -0.842 0.000 0.909 917 L CB 0.382 41.468 42.059 -1.622 0.000 1.277 917 L HN 0.275 nan 8.230 nan 0.000 0.510 918 F N 0.309 120.243 119.950 -0.027 0.000 2.551 918 F HA 0.478 5.002 4.527 -0.005 0.000 0.316 918 F C -0.203 175.571 175.800 -0.043 0.000 1.089 918 F CA -0.953 57.040 58.000 -0.012 0.000 0.915 918 F CB 1.954 40.971 39.000 0.027 0.000 1.186 918 F HN -0.277 nan 8.300 nan 0.000 0.456 919 L N 4.935 126.230 121.223 0.121 0.000 2.331 919 L HA 0.322 4.659 4.340 -0.005 0.000 0.278 919 L C -2.056 174.811 176.870 -0.006 0.000 1.106 919 L CA -1.896 52.943 54.840 -0.002 0.000 0.824 919 L CB 0.441 42.434 42.059 -0.110 0.000 1.142 919 L HN 0.276 nan 8.230 nan 0.000 0.443 920 P HA 0.056 nan 4.420 nan 0.000 0.269 920 P C -2.279 174.999 177.300 -0.037 0.000 1.209 920 P CA -1.079 62.018 63.100 -0.005 0.000 0.776 920 P CB 0.168 31.865 31.700 -0.004 0.000 0.876 921 P HA 0.216 nan 4.420 nan 0.000 0.261 921 P C 0.537 177.838 177.300 0.003 0.000 1.352 921 P CA -0.239 62.856 63.100 -0.007 0.000 0.891 921 P CB 0.142 31.839 31.700 -0.005 0.000 1.383 922 I N 0.986 121.551 120.570 -0.008 0.000 2.815 922 I HA -0.053 4.114 4.170 -0.005 0.000 0.291 922 I C 0.939 177.107 176.117 0.086 0.000 1.209 922 I CA 0.802 62.103 61.300 0.002 0.000 1.431 922 I CB 0.092 38.056 38.000 -0.059 0.000 1.351 922 I HN -0.065 nan 8.210 nan 0.000 0.585 923 K N 7.324 127.804 120.400 0.134 0.000 2.690 923 K HA 0.365 4.682 4.320 -0.005 0.000 0.264 923 K C -1.661 175.004 176.600 0.108 0.000 1.040 923 K CA -0.599 55.757 56.287 0.115 0.000 0.946 923 K CB 1.077 33.612 32.500 0.058 0.000 1.268 923 K HN 0.552 nan 8.250 nan 0.000 0.473 924 L N 3.681 124.917 121.223 0.022 0.000 2.371 924 L HA 0.392 4.729 4.340 -0.005 0.000 0.272 924 L C -0.436 176.314 176.870 -0.199 0.000 1.124 924 L CA 0.216 54.892 54.840 -0.273 0.000 0.816 924 L CB 1.022 42.851 42.059 -0.384 0.000 1.129 924 L HN 0.816 nan 8.230 nan 0.000 0.448 925 E N 2.304 122.380 120.200 -0.207 0.000 2.456 925 E HA 0.353 4.700 4.350 -0.005 0.000 0.276 925 E C -1.758 174.823 176.600 -0.032 0.000 0.981 925 E CA -0.777 55.553 56.400 -0.116 0.000 0.814 925 E CB 2.337 32.006 29.700 -0.052 0.000 1.382 925 E HN 0.466 nan 8.360 nan 0.000 0.459 926 C N 0.978 120.290 119.300 0.021 0.000 2.381 926 C HA 0.357 4.815 4.460 -0.005 0.000 0.328 926 C C 0.420 175.417 174.990 0.011 0.000 1.190 926 C CA -0.119 58.969 59.018 0.115 0.000 1.369 926 C CB 0.076 27.947 27.740 0.218 0.000 2.029 926 C HN 0.904 nan 8.230 nan 0.000 0.448 927 E N 1.964 122.153 120.200 -0.018 0.000 2.431 927 E HA 0.218 4.566 4.350 -0.005 0.000 0.200 927 E C -0.008 176.526 176.600 -0.109 0.000 0.995 927 E CA 0.418 56.785 56.400 -0.056 0.000 0.915 927 E CB 0.468 30.140 29.700 -0.047 0.000 0.930 927 E HN 0.606 nan 8.360 nan 0.000 0.496 928 K N 0.046 120.344 120.400 -0.170 0.000 2.543 928 K HA 0.307 4.624 4.320 -0.005 0.000 0.255 928 K C -1.639 174.723 176.600 -0.397 0.000 0.934 928 K CA -0.376 55.732 56.287 -0.298 0.000 0.810 928 K CB 2.035 34.296 32.500 -0.399 0.000 1.315 928 K HN -0.141 nan 8.250 nan 0.000 0.433 929 T N 3.038 117.362 114.554 -0.383 0.000 2.841 929 T HA 0.466 4.813 4.350 -0.005 0.000 0.283 929 T C -0.823 173.654 174.700 -0.371 0.000 1.000 929 T CA -0.472 61.407 62.100 -0.369 0.000 0.977 929 T CB 0.464 69.190 68.868 -0.237 0.000 0.979 929 T HN 0.267 nan 8.240 nan 0.000 0.446 930 F N 2.185 122.012 119.950 -0.204 0.000 2.411 930 F HA 0.260 4.785 4.527 -0.005 0.000 0.350 930 F C 2.172 177.914 175.800 -0.097 0.000 1.114 930 F CA -0.739 57.160 58.000 -0.168 0.000 1.135 930 F CB 1.404 40.236 39.000 -0.280 0.000 1.120 930 F HN 0.735 nan 8.300 nan 0.000 0.495 931 T N -0.538 114.116 114.554 0.167 0.000 2.985 931 T HA 0.109 4.456 4.350 -0.005 0.000 0.266 931 T C 0.380 175.117 174.700 0.062 0.000 1.076 931 T CA 0.640 62.811 62.100 0.118 0.000 1.135 931 T CB -0.046 68.903 68.868 0.135 0.000 0.890 931 T HN 0.467 nan 8.240 nan 0.000 0.480 932 K N 0.014 120.452 120.400 0.063 0.000 2.527 932 K HA 0.696 5.013 4.320 -0.005 0.000 0.260 932 K C -2.164 174.351 176.600 -0.142 0.000 0.937 932 K CA -0.927 55.300 56.287 -0.101 0.000 0.826 932 K CB 2.614 35.108 32.500 -0.010 0.000 1.359 932 K HN 0.082 nan 8.250 nan 0.000 0.434 933 L N 2.635 123.571 121.223 -0.477 0.000 2.562 933 L HA 0.384 4.721 4.340 -0.005 0.000 0.266 933 L C -2.042 174.576 176.870 -0.419 0.000 0.949 933 L CA -0.689 53.906 54.840 -0.408 0.000 0.879 933 L CB 1.784 43.519 42.059 -0.541 0.000 1.278 933 L HN 0.620 nan 8.230 nan 0.000 0.404 934 L N 5.868 127.056 121.223 -0.057 0.000 2.282 934 L HA 0.499 4.836 4.340 -0.005 0.000 0.287 934 L C -1.075 175.852 176.870 0.094 0.000 1.075 934 L CA 0.153 55.053 54.840 0.100 0.000 0.839 934 L CB 0.483 42.731 42.059 0.315 0.000 1.219 934 L HN 0.597 nan 8.230 nan 0.000 0.434 935 L N 6.493 127.768 121.223 0.087 0.000 2.315 935 L HA 0.241 4.578 4.340 -0.005 0.000 0.283 935 L C 0.934 177.882 176.870 0.129 0.000 1.089 935 L CA 0.096 55.006 54.840 0.118 0.000 0.833 935 L CB 1.015 43.159 42.059 0.142 0.000 1.170 935 L HN 0.742 nan 8.230 nan 0.000 0.442 936 I N 2.514 123.166 120.570 0.136 0.000 2.729 936 I HA 0.259 4.426 4.170 -0.005 0.000 0.256 936 I C 0.872 177.053 176.117 0.108 0.000 1.115 936 I CA 0.407 61.767 61.300 0.100 0.000 1.446 936 I CB 0.314 38.354 38.000 0.067 0.000 1.176 936 I HN 0.689 nan 8.210 nan 0.000 0.446 937 A N -0.477 122.427 122.820 0.141 0.000 2.515 937 A HA 0.346 4.663 4.320 -0.005 0.000 0.292 937 A C 0.471 178.168 177.584 0.187 0.000 1.065 937 A CA -0.512 51.606 52.037 0.134 0.000 0.641 937 A CB 0.740 19.795 19.000 0.091 0.000 1.306 937 A HN -0.058 nan 8.150 nan 0.000 0.441 938 K N -0.012 120.470 120.400 0.137 0.000 2.127 938 K HA -0.249 4.068 4.320 -0.005 0.000 0.222 938 K C 1.045 177.778 176.600 0.222 0.000 1.034 938 K CA 2.772 59.129 56.287 0.116 0.000 0.955 938 K CB -0.124 32.411 32.500 0.059 0.000 0.786 938 K HN 0.535 nan 8.250 nan 0.000 0.465 939 K N -0.653 119.874 120.400 0.211 0.000 2.895 939 K HA 0.096 4.413 4.320 -0.005 0.000 0.200 939 K C -1.382 175.311 176.600 0.156 0.000 1.133 939 K CA -0.221 56.203 56.287 0.228 0.000 1.060 939 K CB 0.324 32.899 32.500 0.124 0.000 0.735 939 K HN 0.000 nan 8.250 nan 0.000 0.451 940 K N 0.980 121.485 120.400 0.175 0.000 2.513 940 K HA 0.313 4.630 4.320 -0.005 0.000 0.251 940 K C -1.175 175.492 176.600 0.112 0.000 0.939 940 K CA -0.909 55.396 56.287 0.031 0.000 0.793 940 K CB 1.707 34.216 32.500 0.015 0.000 1.241 940 K HN 0.072 nan 8.250 nan 0.000 0.431 941 Y N -1.051 119.234 120.300 -0.025 0.000 2.677 941 Y HA 0.674 5.221 4.550 -0.005 0.000 0.334 941 Y C -1.539 174.304 175.900 -0.095 0.000 1.196 941 Y CA -1.390 56.666 58.100 -0.073 0.000 1.059 941 Y CB 1.229 39.597 38.460 -0.153 0.000 1.315 941 Y HN 0.470 nan 8.280 nan 0.000 0.455 942 I N 1.313 121.944 120.570 0.102 0.000 2.582 942 I HA 0.842 5.009 4.170 -0.005 0.000 0.292 942 I C -0.169 175.914 176.117 -0.056 0.000 1.066 942 I CA -0.912 60.370 61.300 -0.030 0.000 1.053 942 I CB 2.368 40.347 38.000 -0.036 0.000 1.241 942 I HN 1.027 nan 8.210 nan 0.000 0.421 943 G N 3.910 112.558 108.800 -0.253 0.000 2.660 943 G HA2 0.614 4.571 3.960 -0.005 0.000 0.290 943 G HA3 0.614 4.571 3.960 -0.005 0.000 0.290 943 G C -1.884 172.929 174.900 -0.145 0.000 1.432 943 G CA -0.475 44.444 45.100 -0.300 0.000 0.807 943 G HN 0.274 nan 8.290 nan 0.000 0.485 944 V N 1.254 121.192 119.914 0.040 0.000 2.370 944 V HA 0.368 4.486 4.120 -0.005 0.000 0.283 944 V C -0.220 176.025 176.094 0.251 0.000 1.023 944 V CA -0.777 61.580 62.300 0.094 0.000 0.857 944 V CB 1.278 33.107 31.823 0.009 0.000 0.985 944 V HN 0.574 nan 8.190 nan 0.000 0.443 945 I N 4.572 125.230 120.570 0.146 0.000 2.529 945 I HA 0.146 4.313 4.170 -0.005 0.000 0.284 945 I C 0.105 176.248 176.117 0.043 0.000 1.082 945 I CA -0.760 60.539 61.300 -0.002 0.000 1.406 945 I CB 0.263 38.221 38.000 -0.071 0.000 1.405 945 I HN 0.635 nan 8.210 nan 0.000 0.548 946 Y N 6.454 126.705 120.300 -0.081 0.000 2.802 946 Y HA 0.317 4.864 4.550 -0.005 0.000 0.333 946 Y C 1.118 176.998 175.900 -0.033 0.000 1.244 946 Y CA 1.616 59.689 58.100 -0.045 0.000 1.558 946 Y CB -0.005 38.414 38.460 -0.069 0.000 1.233 946 Y HN 0.813 nan 8.280 nan 0.000 0.547 947 G N 2.466 111.026 108.800 -0.400 0.000 3.435 947 G HA2 0.048 4.006 3.960 -0.005 0.000 0.197 947 G HA3 0.048 4.006 3.960 -0.005 0.000 0.197 947 G C 0.842 175.665 174.900 -0.129 0.000 1.497 947 G CA 0.215 45.181 45.100 -0.222 0.000 1.043 947 G HN 1.806 nan 8.290 nan 0.000 0.466 948 G N -0.140 108.642 108.800 -0.030 0.000 2.296 948 G HA2 -0.085 3.872 3.960 -0.005 0.000 0.188 948 G HA3 -0.085 3.872 3.960 -0.005 0.000 0.188 948 G C 0.284 175.265 174.900 0.134 0.000 1.000 948 G CA 1.116 46.271 45.100 0.091 0.000 0.672 948 G HN 1.026 nan 8.290 nan 0.000 0.483 949 K N 1.518 121.952 120.400 0.057 0.000 2.368 949 K HA 0.486 4.803 4.320 -0.005 0.000 0.282 949 K C 0.289 176.923 176.600 0.056 0.000 1.035 949 K CA -0.347 55.969 56.287 0.049 0.000 0.973 949 K CB 0.480 32.988 32.500 0.013 0.000 0.957 949 K HN 0.358 nan 8.250 nan 0.000 0.474 950 M N 4.845 124.471 119.600 0.042 0.000 2.342 950 M HA 0.295 4.772 4.480 -0.005 0.000 0.332 950 M C -1.232 175.057 176.300 -0.019 0.000 1.166 950 M CA -0.650 54.632 55.300 -0.029 0.000 1.086 950 M CB 0.776 33.333 32.600 -0.072 0.000 1.541 950 M HN 0.631 nan 8.290 nan 0.000 0.462 951 L N 5.572 126.785 121.223 -0.017 0.000 2.427 951 L HA 0.477 4.814 4.340 -0.005 0.000 0.264 951 L C -1.164 175.676 176.870 -0.049 0.000 0.989 951 L CA -0.382 54.481 54.840 0.038 0.000 0.865 951 L CB 1.206 43.399 42.059 0.223 0.000 1.209 951 L HN 0.581 nan 8.230 nan 0.000 0.430 952 I N 3.237 123.745 120.570 -0.104 0.000 2.396 952 I HA 0.446 4.613 4.170 -0.005 0.000 0.292 952 I C -0.114 175.857 176.117 -0.244 0.000 0.999 952 I CA -0.641 60.555 61.300 -0.173 0.000 1.310 952 I CB 1.340 39.261 38.000 -0.131 0.000 1.404 952 I HN 0.487 nan 8.210 nan 0.000 0.496 953 K N 2.677 122.827 120.400 -0.417 0.000 2.553 953 K HA 0.576 4.894 4.320 -0.005 0.000 0.250 953 K C 0.146 176.517 176.600 -0.381 0.000 0.953 953 K CA 0.319 56.311 56.287 -0.492 0.000 0.800 953 K CB 1.633 33.522 32.500 -1.018 0.000 1.243 953 K HN 0.780 nan 8.250 nan 0.000 0.435 954 G N 0.848 109.532 108.800 -0.194 0.000 2.217 954 G HA2 -0.207 3.750 3.960 -0.005 0.000 0.246 954 G HA3 -0.207 3.750 3.960 -0.005 0.000 0.246 954 G C -0.484 174.372 174.900 -0.074 0.000 0.990 954 G CA 0.229 45.269 45.100 -0.101 0.000 0.627 954 G HN 0.563 nan 8.290 nan 0.000 0.522 955 V N -0.120 119.736 119.914 -0.096 0.000 3.078 955 V HA 0.657 4.774 4.120 -0.005 0.000 0.311 955 V C -1.030 175.025 176.094 -0.065 0.000 1.138 955 V CA -0.782 61.477 62.300 -0.069 0.000 1.007 955 V CB 2.169 33.948 31.823 -0.074 0.000 1.045 955 V HN 0.209 nan 8.190 nan 0.000 0.432 956 D N 0.819 121.191 120.400 -0.047 0.000 2.256 956 D HA 0.501 5.138 4.640 -0.005 0.000 0.240 956 D C 0.308 176.581 176.300 -0.046 0.000 1.062 956 D CA -0.444 53.531 54.000 -0.041 0.000 0.832 956 D CB 1.775 42.561 40.800 -0.024 0.000 1.135 956 D HN 0.246 nan 8.370 nan 0.000 0.484 957 L N 2.583 123.775 121.223 -0.051 0.000 2.307 957 L HA 0.150 4.487 4.340 -0.005 0.000 0.211 957 L C 0.143 176.989 176.870 -0.039 0.000 1.099 957 L CA 0.765 55.574 54.840 -0.051 0.000 0.816 957 L CB 0.151 42.177 42.059 -0.055 0.000 0.952 957 L HN 0.303 nan 8.230 nan 0.000 0.455 958 V N 2.301 122.195 119.914 -0.033 0.000 2.318 958 V HA 0.340 4.457 4.120 -0.005 0.000 0.271 958 V C -0.002 176.082 176.094 -0.016 0.000 1.030 958 V CA -0.902 61.383 62.300 -0.027 0.000 0.844 958 V CB 0.773 32.579 31.823 -0.028 0.000 1.015 958 V HN 0.132 nan 8.190 nan 0.000 0.460 959 R N 3.348 123.843 120.500 -0.009 0.000 2.297 959 R HA 0.355 4.693 4.340 -0.005 0.000 0.308 959 R C 0.801 177.103 176.300 0.003 0.000 1.029 959 R CA -0.858 55.243 56.100 0.002 0.000 0.929 959 R CB 1.067 31.375 30.300 0.012 0.000 1.046 959 R HN 0.400 nan 8.270 nan 0.000 0.461 960 K N 1.642 122.045 120.400 0.006 0.000 2.439 960 K HA -0.017 4.300 4.320 -0.005 0.000 0.197 960 K C 0.416 177.019 176.600 0.006 0.000 1.041 960 K CA 0.984 57.273 56.287 0.004 0.000 0.970 960 K CB 0.084 32.589 32.500 0.008 0.000 0.773 960 K HN 0.346 nan 8.250 nan 0.000 0.479 961 N N 0.916 119.625 118.700 0.015 0.000 2.449 961 N HA -0.010 4.727 4.740 -0.005 0.000 0.191 961 N C -0.644 174.878 175.510 0.021 0.000 1.161 961 N CA 0.137 53.199 53.050 0.020 0.000 0.863 961 N CB -0.066 38.443 38.487 0.037 0.000 0.980 961 N HN 0.164 nan 8.380 nan 0.000 0.458 962 N N -0.052 118.658 118.700 0.018 0.000 2.477 962 N HA 0.219 4.956 4.740 -0.005 0.000 0.284 962 N C 0.203 175.729 175.510 0.027 0.000 1.182 962 N CA -0.574 52.493 53.050 0.028 0.000 0.949 962 N CB 1.239 39.742 38.487 0.027 0.000 1.204 962 N HN 0.125 nan 8.380 nan 0.000 0.526 963 C N -1.376 117.966 119.300 0.070 0.000 2.580 963 C HA 0.610 5.067 4.460 -0.005 0.000 0.371 963 C C 2.096 177.093 174.990 0.012 0.000 1.308 963 C CA -0.605 58.448 59.018 0.058 0.000 2.428 963 C CB -0.448 27.380 27.740 0.146 0.000 2.529 963 C HN 0.791 nan 8.230 nan 0.000 0.657 964 A N 0.982 123.782 122.820 -0.033 0.000 1.917 964 A HA -0.146 4.171 4.320 -0.005 0.000 0.219 964 A C 1.816 179.352 177.584 -0.079 0.000 1.182 964 A CA 2.141 54.142 52.037 -0.060 0.000 0.633 964 A CB -0.991 17.967 19.000 -0.071 0.000 0.819 964 A HN 1.140 nan 8.150 nan 0.000 0.448 965 F N 0.861 120.626 119.950 -0.309 0.000 2.069 965 F HA -0.222 4.302 4.527 -0.005 0.000 0.298 965 F C 2.006 177.717 175.800 -0.148 0.000 1.113 965 F CA 1.867 59.656 58.000 -0.351 0.000 1.214 965 F CB -0.210 38.363 39.000 -0.712 0.000 0.978 965 F HN 0.163 nan 8.300 nan 0.000 0.474 966 I N 0.896 121.410 120.570 -0.092 0.000 2.113 966 I HA -0.316 3.851 4.170 -0.005 0.000 0.238 966 I C 2.206 178.221 176.117 -0.169 0.000 1.070 966 I CA 1.373 62.584 61.300 -0.148 0.000 1.332 966 I CB -1.779 36.259 38.000 0.064 0.000 1.044 966 I HN 0.230 nan 8.210 nan 0.000 0.402 967 N N 0.912 119.556 118.700 -0.094 0.000 2.011 967 N HA -0.247 4.491 4.740 -0.005 0.000 0.199 967 N C 2.000 177.446 175.510 -0.107 0.000 1.047 967 N CA 1.472 54.475 53.050 -0.079 0.000 0.863 967 N CB -0.588 37.867 38.487 -0.054 0.000 1.056 967 N HN 0.320 nan 8.380 nan 0.000 0.427 968 R N 0.356 120.778 120.500 -0.130 0.000 2.080 968 R HA -0.100 4.237 4.340 -0.005 0.000 0.236 968 R C 1.877 178.085 176.300 -0.154 0.000 1.137 968 R CA 1.937 57.962 56.100 -0.124 0.000 0.943 968 R CB -0.439 29.788 30.300 -0.121 0.000 0.846 968 R HN 0.264 nan 8.270 nan 0.000 0.431 969 T N -0.084 114.298 114.554 -0.286 0.000 2.737 969 T HA -0.153 4.195 4.350 -0.005 0.000 0.265 969 T C 1.828 176.440 174.700 -0.147 0.000 1.038 969 T CA 1.586 63.514 62.100 -0.287 0.000 1.144 969 T CB -0.432 68.078 68.868 -0.595 0.000 0.866 969 T HN 0.341 nan 8.240 nan 0.000 0.434 970 S N 1.098 116.706 115.700 -0.152 0.000 2.392 970 S HA -0.253 4.214 4.470 -0.005 0.000 0.232 970 S C 2.167 176.766 174.600 -0.003 0.000 1.041 970 S CA 1.875 60.040 58.200 -0.058 0.000 1.026 970 S CB -0.225 62.936 63.200 -0.064 0.000 0.845 970 S HN 0.407 nan 8.310 nan 0.000 0.465 971 R N 1.079 121.566 120.500 -0.022 0.000 2.075 971 R HA 0.262 4.599 4.340 -0.005 0.000 0.226 971 R C 2.391 178.731 176.300 0.067 0.000 1.114 971 R CA 1.561 57.670 56.100 0.016 0.000 0.972 971 R CB -1.194 29.101 30.300 -0.009 0.000 0.869 971 R HN 0.369 nan 8.270 nan 0.000 0.437 972 A N 1.032 123.875 122.820 0.038 0.000 1.927 972 A HA -0.185 4.132 4.320 -0.005 0.000 0.220 972 A C 2.209 179.882 177.584 0.149 0.000 1.185 972 A CA 1.837 53.915 52.037 0.068 0.000 0.639 972 A CB -0.796 18.219 19.000 0.025 0.000 0.820 972 A HN 0.391 nan 8.150 nan 0.000 0.451 973 L N -0.886 120.447 121.223 0.183 0.000 2.046 973 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 973 L C 2.538 179.725 176.870 0.527 0.000 1.077 973 L CA 1.157 56.209 54.840 0.354 0.000 0.747 973 L CB -0.582 41.669 42.059 0.320 0.000 0.896 973 L HN 0.267 nan 8.230 nan 0.000 0.432 974 V N -0.345 119.795 119.914 0.377 0.000 2.358 974 V HA -0.261 3.856 4.120 -0.005 0.000 0.246 974 V C 2.080 178.427 176.094 0.422 0.000 1.047 974 V CA 1.750 64.266 62.300 0.359 0.000 1.035 974 V CB -0.496 31.417 31.823 0.150 0.000 0.658 974 V HN 0.426 nan 8.190 nan 0.000 0.452 975 D N -0.127 120.470 120.400 0.329 0.000 2.178 975 D HA -0.151 4.486 4.640 -0.005 0.000 0.201 975 D C 1.969 178.494 176.300 0.375 0.000 0.980 975 D CA 1.012 55.262 54.000 0.417 0.000 0.842 975 D CB -0.166 40.828 40.800 0.324 0.000 0.948 975 D HN 0.321 nan 8.370 nan 0.000 0.472 976 L N 0.712 122.077 121.223 0.236 0.000 2.046 976 L HA -0.121 4.216 4.340 -0.005 0.000 0.208 976 L C 2.146 178.992 176.870 -0.041 0.000 1.077 976 L CA 1.129 56.003 54.840 0.057 0.000 0.747 976 L CB -0.590 41.418 42.059 -0.085 0.000 0.896 976 L HN 0.007 nan 8.230 nan 0.000 0.432 977 L N -1.683 119.573 121.223 0.055 0.000 2.083 977 L HA -0.167 4.170 4.340 -0.005 0.000 0.209 977 L C 1.898 178.613 176.870 -0.258 0.000 1.083 977 L CA 1.877 56.633 54.840 -0.141 0.000 0.752 977 L CB -0.520 41.552 42.059 0.021 0.000 0.899 977 L HN 0.216 nan 8.230 nan 0.000 0.433 978 F N -2.726 117.188 119.950 -0.059 0.000 2.582 978 F HA 0.069 4.593 4.527 -0.004 0.000 0.290 978 F C 1.342 176.914 175.800 -0.378 0.000 1.115 978 F CA 0.647 58.523 58.000 -0.207 0.000 1.445 978 F CB 0.003 38.724 39.000 -0.464 0.000 1.126 978 F HN -0.012 nan 8.300 nan 0.000 0.574 979 Y N -1.869 118.547 120.300 0.192 0.000 2.430 979 Y HA 0.130 4.677 4.550 -0.004 0.000 0.248 979 Y C 0.372 176.292 175.900 0.034 0.000 1.108 979 Y CA -0.494 57.670 58.100 0.107 0.000 1.264 979 Y CB 0.531 39.044 38.460 0.089 0.000 1.172 979 Y HN -0.274 nan 8.280 nan 0.000 0.520 980 D N 0.703 121.162 120.400 0.098 0.000 2.412 980 D HA 0.046 4.683 4.640 -0.005 0.000 0.224 980 D C 0.305 176.587 176.300 -0.030 0.000 1.093 980 D CA 0.021 54.027 54.000 0.009 0.000 0.850 980 D CB 0.834 41.593 40.800 -0.070 0.000 1.046 980 D HN 0.109 nan 8.370 nan 0.000 0.507 981 D N 2.042 122.443 120.400 0.002 0.000 2.158 981 D HA -0.157 4.480 4.640 -0.005 0.000 0.197 981 D C 1.552 177.829 176.300 -0.039 0.000 0.995 981 D CA 1.347 55.345 54.000 -0.003 0.000 0.846 981 D CB 0.151 40.961 40.800 0.016 0.000 0.941 981 D HN 0.455 nan 8.370 nan 0.000 0.456 982 T N 0.288 114.810 114.554 -0.054 0.000 2.622 982 T HA -0.117 4.230 4.350 -0.005 0.000 0.266 982 T C 2.265 176.893 174.700 -0.121 0.000 1.047 982 T CA 1.177 63.234 62.100 -0.070 0.000 1.159 982 T CB -0.525 68.302 68.868 -0.068 0.000 0.863 982 T HN -0.016 nan 8.240 nan 0.000 0.422 983 V N 1.771 121.574 119.914 -0.185 0.000 2.392 983 V HA -0.195 3.922 4.120 -0.005 0.000 0.249 983 V C 2.700 178.611 176.094 -0.305 0.000 1.059 983 V CA 1.938 64.062 62.300 -0.293 0.000 1.051 983 V CB -0.883 30.665 31.823 -0.458 0.000 0.658 983 V HN 0.464 nan 8.190 nan 0.000 0.455 984 S N 0.593 116.145 115.700 -0.246 0.000 2.368 984 S HA -0.109 4.358 4.470 -0.005 0.000 0.224 984 S C 2.139 176.651 174.600 -0.146 0.000 1.029 984 S CA 1.279 59.325 58.200 -0.257 0.000 0.988 984 S CB -0.801 62.381 63.200 -0.030 0.000 0.838 984 S HN 0.673 nan 8.310 nan 0.000 0.462 985 G N 1.872 110.628 108.800 -0.073 0.000 2.514 985 G HA2 -0.157 3.800 3.960 -0.005 0.000 0.217 985 G HA3 -0.157 3.800 3.960 -0.005 0.000 0.217 985 G C 1.628 176.489 174.900 -0.066 0.000 1.198 985 G CA 1.129 46.209 45.100 -0.032 0.000 0.780 985 G HN 0.592 nan 8.290 nan 0.000 0.565 986 A N 1.255 124.011 122.820 -0.107 0.000 1.892 986 A HA 0.102 4.419 4.320 -0.005 0.000 0.218 986 A C 2.876 180.356 177.584 -0.173 0.000 1.188 986 A CA 2.878 54.844 52.037 -0.117 0.000 0.631 986 A CB -1.054 17.876 19.000 -0.116 0.000 0.822 986 A HN 1.015 nan 8.150 nan 0.000 0.447 987 A N -0.271 122.382 122.820 -0.279 0.000 1.883 987 A HA 0.089 4.407 4.320 -0.005 0.000 0.217 987 A C 2.547 179.996 177.584 -0.225 0.000 1.186 987 A CA 2.474 54.279 52.037 -0.386 0.000 0.624 987 A CB -1.173 17.355 19.000 -0.786 0.000 0.822 987 A HN 1.243 nan 8.150 nan 0.000 0.444 988 A N -0.213 122.567 122.820 -0.066 0.000 1.940 988 A HA 0.094 4.411 4.320 -0.005 0.000 0.219 988 A C 2.471 180.061 177.584 0.011 0.000 1.176 988 A CA 2.222 54.300 52.037 0.069 0.000 0.631 988 A CB -0.992 18.084 19.000 0.127 0.000 0.814 988 A HN 1.171 nan 8.150 nan 0.000 0.446 989 A N -0.272 122.548 122.820 -0.001 0.000 2.019 989 A HA -0.008 4.310 4.320 -0.005 0.000 0.219 989 A C 1.992 179.650 177.584 0.123 0.000 1.164 989 A CA 1.307 53.378 52.037 0.057 0.000 0.644 989 A CB -0.599 18.429 19.000 0.046 0.000 0.805 989 A HN 0.501 nan 8.150 nan 0.000 0.449 990 L N -1.154 120.057 121.223 -0.020 0.000 2.447 990 L HA -0.153 4.184 4.340 -0.005 0.000 0.225 990 L C 2.277 179.301 176.870 0.256 0.000 1.148 990 L CA 0.773 55.603 54.840 -0.016 0.000 0.808 990 L CB -0.327 41.498 42.059 -0.390 0.000 0.928 990 L HN 0.443 nan 8.230 nan 0.000 0.448 991 A N -1.449 121.452 122.820 0.135 0.000 2.460 991 A HA 0.099 4.416 4.320 -0.005 0.000 0.258 991 A C 1.130 178.790 177.584 0.126 0.000 1.300 991 A CA -0.109 52.002 52.037 0.122 0.000 0.913 991 A CB -0.040 18.968 19.000 0.014 0.000 1.031 991 A HN 0.154 nan 8.150 nan 0.000 0.512 992 E N 0.840 121.148 120.200 0.179 0.000 2.411 992 E HA 0.275 4.622 4.350 -0.005 0.000 0.228 992 E C -0.630 176.021 176.600 0.085 0.000 1.169 992 E CA 0.085 56.556 56.400 0.120 0.000 1.421 992 E CB -0.061 29.707 29.700 0.113 0.000 1.333 992 E HN 0.470 nan 8.360 nan 0.000 0.434 993 R N 0.146 120.689 120.500 0.073 0.000 3.466 993 R HA 0.126 4.464 4.340 -0.005 0.000 0.262 993 R C -2.924 173.349 176.300 -0.045 0.000 0.997 993 R CA -1.073 54.955 56.100 -0.120 0.000 0.978 993 R CB 1.222 31.202 30.300 -0.533 0.000 1.256 993 R HN -0.020 nan 8.270 nan 0.000 0.536 994 P HA 0.244 nan 4.420 nan 0.000 0.279 994 P C -0.040 177.294 177.300 0.056 0.000 1.252 994 P CA -0.345 62.759 63.100 0.008 0.000 0.811 994 P CB 1.045 32.734 31.700 -0.018 0.000 1.035 995 A N 2.167 125.120 122.820 0.221 0.000 1.859 995 A HA -0.283 4.034 4.320 -0.005 0.000 0.218 995 A C 1.919 179.664 177.584 0.268 0.000 1.209 995 A CA 2.159 54.440 52.037 0.407 0.000 0.639 995 A CB -1.798 17.412 19.000 0.349 0.000 0.835 995 A HN 0.668 nan 8.150 nan 0.000 0.450 996 E N -0.774 119.499 120.200 0.122 0.000 2.233 996 E HA -0.246 4.101 4.350 -0.005 0.000 0.199 996 E C 1.946 178.547 176.600 0.001 0.000 1.004 996 E CA 1.261 57.693 56.400 0.054 0.000 0.819 996 E CB -0.147 29.568 29.700 0.025 0.000 0.738 996 E HN 0.795 nan 8.360 nan 0.000 0.478 997 E N -0.456 119.689 120.200 -0.092 0.000 2.268 997 E HA -0.164 4.183 4.350 -0.005 0.000 0.195 997 E C 1.135 177.615 176.600 -0.199 0.000 0.995 997 E CA 0.577 56.853 56.400 -0.207 0.000 0.836 997 E CB -0.029 29.453 29.700 -0.363 0.000 0.763 997 E HN 0.434 nan 8.360 nan 0.000 0.491 998 W N 0.300 121.623 121.300 0.038 0.000 2.595 998 W HA -0.010 4.648 4.660 -0.004 0.000 0.257 998 W C 1.792 178.298 176.519 -0.021 0.000 1.267 998 W CA 0.017 57.381 57.345 0.033 0.000 1.300 998 W CB 0.082 29.599 29.460 0.094 0.000 1.120 998 W HN 0.102 nan 8.180 nan 0.000 0.618 999 L N -0.162 121.152 121.223 0.151 0.000 2.131 999 L HA -0.177 4.160 4.340 -0.005 0.000 0.210 999 L C 2.593 179.492 176.870 0.049 0.000 1.092 999 L CA 1.085 55.963 54.840 0.063 0.000 0.759 999 L CB -1.218 40.853 42.059 0.021 0.000 0.903 999 L HN -0.016 nan 8.230 nan 0.000 0.435 1000 A N -0.181 122.659 122.820 0.033 0.000 1.821 1000 A HA -0.038 4.280 4.320 -0.005 0.000 0.215 1000 A C 1.435 179.045 177.584 0.044 0.000 1.214 1000 A CA 0.845 52.889 52.037 0.011 0.000 0.608 1000 A CB -0.245 18.734 19.000 -0.035 0.000 0.862 1000 A HN 0.124 nan 8.150 nan 0.000 0.448 1001 R N 0.147 120.690 120.500 0.072 0.000 2.615 1001 R HA 0.325 4.662 4.340 -0.005 0.000 0.270 1001 R C -2.580 173.832 176.300 0.187 0.000 1.081 1001 R CA -2.114 54.060 56.100 0.124 0.000 1.154 1001 R CB -0.793 29.587 30.300 0.133 0.000 1.063 1001 R HN 0.226 nan 8.270 nan 0.000 0.519 1002 P HA 0.014 nan 4.420 nan 0.000 0.267 1002 P C -0.330 177.059 177.300 0.148 0.000 1.200 1002 P CA -0.360 62.795 63.100 0.092 0.000 0.772 1002 P CB 0.357 32.087 31.700 0.051 0.000 0.855 1003 L N 5.227 126.461 121.223 0.019 0.000 2.461 1003 L HA 0.204 4.541 4.340 -0.005 0.000 0.272 1003 L C -1.728 175.104 176.870 -0.062 0.000 1.197 1003 L CA -1.175 53.604 54.840 -0.101 0.000 0.836 1003 L CB -1.380 40.568 42.059 -0.185 0.000 1.105 1003 L HN 0.346 nan 8.230 nan 0.000 0.477 1004 P HA -0.007 nan 4.420 nan 0.000 0.263 1004 P C 0.308 177.596 177.300 -0.020 0.000 1.175 1004 P CA 0.112 63.194 63.100 -0.030 0.000 0.761 1004 P CB 0.444 32.100 31.700 -0.074 0.000 0.794 1005 E N 2.045 122.246 120.200 0.003 0.000 2.118 1005 E HA -0.178 4.169 4.350 -0.005 0.000 0.195 1005 E C 2.263 178.864 176.600 0.002 0.000 0.992 1005 E CA 1.623 58.026 56.400 0.004 0.000 0.804 1005 E CB -0.609 29.095 29.700 0.005 0.000 0.741 1005 E HN 0.701 nan 8.360 nan 0.000 0.458 1006 G N 1.181 109.970 108.800 -0.019 0.000 2.545 1006 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.222 1006 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.222 1006 G C 1.418 176.281 174.900 -0.062 0.000 1.126 1006 G CA 0.916 45.987 45.100 -0.049 0.000 0.754 1006 G HN 0.190 nan 8.290 nan 0.000 0.583 1007 L N 0.463 121.689 121.223 0.006 0.000 2.456 1007 L HA -0.112 4.226 4.340 -0.005 0.000 0.224 1007 L C 2.807 179.815 176.870 0.230 0.000 1.148 1007 L CA 0.842 55.749 54.840 0.112 0.000 0.825 1007 L CB -0.444 41.855 42.059 0.399 0.000 0.937 1007 L HN 0.299 nan 8.230 nan 0.000 0.450 1008 Q N 1.580 121.474 119.800 0.157 0.000 2.146 1008 Q HA -0.371 3.966 4.340 -0.005 0.000 0.217 1008 Q C 2.136 178.212 176.000 0.128 0.000 1.023 1008 Q CA 2.908 58.800 55.803 0.149 0.000 0.903 1008 Q CB -0.244 28.526 28.738 0.053 0.000 0.990 1008 Q HN 0.546 nan 8.270 nan 0.000 0.413 1009 A N -0.152 122.654 122.820 -0.023 0.000 2.032 1009 A HA -0.183 4.134 4.320 -0.005 0.000 0.221 1009 A C 1.820 179.348 177.584 -0.093 0.000 1.165 1009 A CA 1.525 53.506 52.037 -0.093 0.000 0.645 1009 A CB -0.939 17.939 19.000 -0.203 0.000 0.807 1009 A HN 0.467 nan 8.150 nan 0.000 0.453 1010 F N 0.321 120.198 119.950 -0.121 0.000 2.216 1010 F HA -0.039 4.485 4.527 -0.005 0.000 0.300 1010 F C 2.547 178.296 175.800 -0.084 0.000 1.085 1010 F CA 0.670 58.479 58.000 -0.318 0.000 1.326 1010 F CB -1.036 37.335 39.000 -1.048 0.000 1.027 1010 F HN 0.279 nan 8.300 nan 0.000 0.497 1011 G N -0.719 108.288 108.800 0.345 0.000 2.432 1011 G HA2 -0.163 3.794 3.960 -0.005 0.000 0.219 1011 G HA3 -0.163 3.794 3.960 -0.005 0.000 0.219 1011 G C 1.875 176.913 174.900 0.231 0.000 1.135 1011 G CA 0.816 46.115 45.100 0.332 0.000 0.767 1011 G HN 0.456 nan 8.290 nan 0.000 0.550 1012 A N -0.030 122.888 122.820 0.164 0.000 1.930 1012 A HA 0.230 4.547 4.320 -0.005 0.000 0.215 1012 A C 2.534 180.209 177.584 0.153 0.000 1.176 1012 A CA 1.444 53.562 52.037 0.136 0.000 0.632 1012 A CB -0.297 18.753 19.000 0.083 0.000 0.819 1012 A HN 0.218 nan 8.150 nan 0.000 0.445 1013 V N 0.094 120.095 119.914 0.145 0.000 2.379 1013 V HA -0.160 3.957 4.120 -0.005 0.000 0.245 1013 V C 2.440 178.654 176.094 0.200 0.000 1.044 1013 V CA 1.299 63.686 62.300 0.145 0.000 1.036 1013 V CB -0.643 31.258 31.823 0.130 0.000 0.664 1013 V HN 0.431 nan 8.190 nan 0.000 0.453 1014 L N -0.210 121.159 121.223 0.244 0.000 2.056 1014 L HA -0.092 4.245 4.340 -0.005 0.000 0.207 1014 L C 2.481 179.641 176.870 0.482 0.000 1.078 1014 L CA 1.653 56.714 54.840 0.369 0.000 0.749 1014 L CB -1.274 41.018 42.059 0.388 0.000 0.901 1014 L HN 0.195 nan 8.230 nan 0.000 0.433 1015 V N -0.108 120.054 119.914 0.413 0.000 2.295 1015 V HA -0.276 3.841 4.120 -0.005 0.000 0.246 1015 V C 2.296 178.592 176.094 0.337 0.000 1.049 1015 V CA 1.688 64.253 62.300 0.441 0.000 1.024 1015 V CB -0.474 31.552 31.823 0.337 0.000 0.648 1015 V HN 0.390 nan 8.190 nan 0.000 0.447 1016 D N 0.357 120.916 120.400 0.265 0.000 2.123 1016 D HA -0.169 4.468 4.640 -0.005 0.000 0.196 1016 D C 2.259 178.724 176.300 0.275 0.000 0.992 1016 D CA 1.679 55.813 54.000 0.223 0.000 0.833 1016 D CB -0.339 40.565 40.800 0.172 0.000 0.954 1016 D HN 0.433 nan 8.370 nan 0.000 0.455 1017 A N 0.795 123.821 122.820 0.343 0.000 1.869 1017 A HA -0.309 4.008 4.320 -0.005 0.000 0.218 1017 A C 2.092 179.973 177.584 0.496 0.000 1.203 1017 A CA 2.410 54.759 52.037 0.520 0.000 0.638 1017 A CB -1.323 18.003 19.000 0.544 0.000 0.831 1017 A HN 0.392 nan 8.150 nan 0.000 0.450 1018 H N -1.078 118.103 119.070 0.185 0.000 2.352 1018 H HA -0.088 4.465 4.556 -0.005 0.000 0.299 1018 H C 2.297 177.469 175.328 -0.260 0.000 1.097 1018 H CA 2.048 57.891 56.048 -0.340 0.000 1.311 1018 H CB -0.049 29.034 29.762 -1.132 0.000 1.377 1018 H HN 0.436 nan 8.280 nan 0.000 0.504 1019 R N -0.106 120.447 120.500 0.089 0.000 2.152 1019 R HA -0.030 4.307 4.340 -0.005 0.000 0.232 1019 R C 2.357 178.673 176.300 0.027 0.000 1.117 1019 R CA 0.993 57.139 56.100 0.077 0.000 0.981 1019 R CB 0.027 30.412 30.300 0.142 0.000 0.870 1019 R HN 0.277 nan 8.270 nan 0.000 0.451 1020 R N -0.203 120.346 120.500 0.080 0.000 2.153 1020 R HA 0.022 4.359 4.340 -0.005 0.000 0.218 1020 R C 1.904 178.196 176.300 -0.013 0.000 1.072 1020 R CA 0.850 57.013 56.100 0.105 0.000 0.990 1020 R CB 0.031 30.500 30.300 0.282 0.000 0.889 1020 R HN 0.237 nan 8.270 nan 0.000 0.452 1021 I N -0.239 120.207 120.570 -0.207 0.000 2.193 1021 I HA -0.218 3.949 4.170 -0.005 0.000 0.240 1021 I C 2.225 178.080 176.117 -0.436 0.000 1.084 1021 I CA 1.643 62.653 61.300 -0.483 0.000 1.365 1021 I CB -0.358 37.333 38.000 -0.515 0.000 1.064 1021 I HN 0.211 nan 8.210 nan 0.000 0.410 1022 T N -2.645 111.716 114.554 -0.323 0.000 3.113 1022 T HA -0.031 4.316 4.350 -0.005 0.000 0.256 1022 T C 0.676 175.293 174.700 -0.139 0.000 1.131 1022 T CA -0.159 61.801 62.100 -0.232 0.000 1.074 1022 T CB -0.535 68.224 68.868 -0.182 0.000 0.944 1022 T HN 0.070 nan 8.240 nan 0.000 0.516 1023 D N 4.269 124.601 120.400 -0.113 0.000 2.389 1023 D HA 0.179 4.816 4.640 -0.005 0.000 0.263 1023 D C -2.377 173.876 176.300 -0.079 0.000 1.255 1023 D CA -1.924 52.039 54.000 -0.062 0.000 0.914 1023 D CB 0.708 41.493 40.800 -0.026 0.000 1.116 1023 D HN 0.190 nan 8.370 nan 0.000 0.502 1024 P HA 0.019 nan 4.420 nan 0.000 0.267 1024 P C -0.154 177.119 177.300 -0.044 0.000 1.200 1024 P CA 0.185 63.251 63.100 -0.057 0.000 0.772 1024 P CB 0.322 31.999 31.700 -0.038 0.000 0.855 1025 E N 1.023 121.195 120.200 -0.047 0.000 2.230 1025 E HA -0.278 4.069 4.350 -0.005 0.000 0.206 1025 E C -0.701 175.885 176.600 -0.023 0.000 1.309 1025 E CA 0.458 56.839 56.400 -0.032 0.000 0.697 1025 E CB -0.611 29.076 29.700 -0.021 0.000 1.146 1025 E HN 0.404 nan 8.360 nan 0.000 0.363 1026 R N 1.005 121.480 120.500 -0.042 0.000 2.584 1026 R HA 0.545 4.882 4.340 -0.005 0.000 0.253 1026 R C 0.162 176.476 176.300 0.024 0.000 1.251 1026 R CA -0.047 56.049 56.100 -0.008 0.000 1.129 1026 R CB 0.065 30.332 30.300 -0.054 0.000 1.239 1026 R HN 0.133 nan 8.270 nan 0.000 0.595 1027 D N -0.859 119.603 120.400 0.103 0.000 2.493 1027 D HA 0.230 4.867 4.640 -0.005 0.000 0.235 1027 D C 0.582 176.986 176.300 0.174 0.000 1.117 1027 D CA -0.352 53.710 54.000 0.104 0.000 0.930 1027 D CB 0.049 40.900 40.800 0.086 0.000 1.010 1027 D HN 0.561 nan 8.370 nan 0.000 0.514 1028 I N 2.037 122.668 120.570 0.101 0.000 2.248 1028 I HA -0.321 3.846 4.170 -0.005 0.000 0.248 1028 I C 2.185 178.404 176.117 0.170 0.000 1.107 1028 I CA 0.944 62.313 61.300 0.115 0.000 1.373 1028 I CB 0.151 38.169 38.000 0.031 0.000 1.055 1028 I HN 0.438 nan 8.210 nan 0.000 0.418 1029 Q N -0.027 119.833 119.800 0.101 0.000 2.118 1029 Q HA -0.334 4.003 4.340 -0.005 0.000 0.211 1029 Q C 1.850 177.884 176.000 0.056 0.000 0.998 1029 Q CA 2.070 57.913 55.803 0.066 0.000 0.872 1029 Q CB -0.832 27.928 28.738 0.036 0.000 0.925 1029 Q HN 0.506 nan 8.270 nan 0.000 0.414 1030 D N -0.718 119.706 120.400 0.039 0.000 2.271 1030 D HA -0.146 4.491 4.640 -0.005 0.000 0.207 1030 D C 0.737 176.831 176.300 -0.343 0.000 0.983 1030 D CA 0.735 54.643 54.000 -0.154 0.000 0.878 1030 D CB -0.076 40.574 40.800 -0.251 0.000 0.920 1030 D HN 0.216 nan 8.370 nan 0.000 0.479 1031 F N -0.812 119.091 119.950 -0.079 0.000 2.682 1031 F HA 0.230 4.755 4.527 -0.005 0.000 0.308 1031 F C 0.561 176.395 175.800 0.057 0.000 1.093 1031 F CA -0.416 57.519 58.000 -0.108 0.000 1.244 1031 F CB 0.357 39.053 39.000 -0.508 0.000 1.052 1031 F HN -0.317 nan 8.300 nan 0.000 0.573 1032 V N 3.718 123.716 119.914 0.140 0.000 2.485 1032 V HA -0.016 4.101 4.120 -0.005 0.000 0.287 1032 V C 0.375 176.436 176.094 -0.055 0.000 1.022 1032 V CA -0.077 62.244 62.300 0.034 0.000 1.067 1032 V CB 0.010 31.841 31.823 0.014 0.000 0.967 1032 V HN 0.118 nan 8.190 nan 0.000 0.479 1033 L N 5.220 126.297 121.223 -0.243 0.000 2.387 1033 L HA 0.729 5.066 4.340 -0.005 0.000 0.266 1033 L C 0.490 177.057 176.870 -0.505 0.000 1.059 1033 L CA -0.290 54.316 54.840 -0.391 0.000 0.801 1033 L CB 1.837 43.549 42.059 -0.578 0.000 1.223 1033 L HN 0.765 nan 8.230 nan 0.000 0.456 1034 T N -1.270 113.129 114.554 -0.258 0.000 2.906 1034 T HA 0.880 5.228 4.350 -0.005 0.000 0.295 1034 T C -0.828 173.889 174.700 0.029 0.000 1.061 1034 T CA -0.814 61.237 62.100 -0.081 0.000 1.000 1034 T CB 2.118 70.969 68.868 -0.029 0.000 1.103 1034 T HN 0.797 nan 8.240 nan 0.000 0.486 1035 A N 1.232 124.093 122.820 0.068 0.000 2.515 1035 A HA 0.737 5.054 4.320 -0.005 0.000 0.298 1035 A C -0.584 176.895 177.584 -0.175 0.000 1.059 1035 A CA -0.917 51.046 52.037 -0.123 0.000 0.698 1035 A CB 1.573 20.346 19.000 -0.379 0.000 1.289 1035 A HN 1.034 nan 8.150 nan 0.000 0.404 1036 E N 1.133 121.245 120.200 -0.148 0.000 2.313 1036 E HA 0.364 4.711 4.350 -0.005 0.000 0.276 1036 E C -1.081 175.538 176.600 0.032 0.000 1.031 1036 E CA -0.580 55.795 56.400 -0.042 0.000 0.857 1036 E CB 0.838 30.529 29.700 -0.015 0.000 1.040 1036 E HN 0.565 nan 8.360 nan 0.000 0.408 1037 L N 5.416 126.725 121.223 0.143 0.000 2.358 1037 L HA 0.129 4.466 4.340 -0.005 0.000 0.274 1037 L C 0.681 177.655 176.870 0.173 0.000 1.136 1037 L CA 0.353 55.361 54.840 0.280 0.000 0.970 1037 L CB 0.169 42.346 42.059 0.196 0.000 1.314 1037 L HN 0.629 nan 8.230 nan 0.000 0.427 1038 S N 2.692 118.497 115.700 0.176 0.000 2.428 1038 S HA 0.096 4.563 4.470 -0.005 0.000 0.230 1038 S C 0.796 175.343 174.600 -0.088 0.000 1.014 1038 S CA 0.340 58.525 58.200 -0.025 0.000 0.957 1038 S CB -0.042 63.103 63.200 -0.091 0.000 0.784 1038 S HN 0.623 nan 8.310 nan 0.000 0.499 1039 R N -0.486 119.954 120.500 -0.099 0.000 2.885 1039 R HA 0.466 4.803 4.340 -0.005 0.000 0.260 1039 R C -0.554 175.797 176.300 0.086 0.000 1.107 1039 R CA -0.869 55.195 56.100 -0.059 0.000 0.978 1039 R CB 0.045 30.230 30.300 -0.192 0.000 1.227 1039 R HN 0.217 nan 8.270 nan 0.000 0.473 1040 H N 1.781 120.856 119.070 0.008 0.000 2.871 1040 H HA 0.030 4.583 4.556 -0.005 0.000 0.355 1040 H C -1.650 173.715 175.328 0.061 0.000 1.092 1040 H CA -1.095 54.946 56.048 -0.010 0.000 1.420 1040 H CB 1.159 30.925 29.762 0.007 0.000 1.400 1040 H HN 0.195 nan 8.280 nan 0.000 0.604 1041 P HA -0.236 nan 4.420 nan 0.000 0.214 1041 P C 1.396 178.831 177.300 0.226 0.000 1.169 1041 P CA 2.581 65.633 63.100 -0.080 0.000 0.908 1041 P CB -0.047 31.442 31.700 -0.351 0.000 0.791 1042 R N -0.131 120.592 120.500 0.372 0.000 2.211 1042 R HA -0.091 4.246 4.340 -0.005 0.000 0.240 1042 R C 1.939 178.348 176.300 0.182 0.000 1.144 1042 R CA 1.801 58.051 56.100 0.250 0.000 0.992 1042 R CB -1.306 29.122 30.300 0.213 0.000 0.869 1042 R HN 0.090 nan 8.270 nan 0.000 0.462 1043 A N 0.600 123.545 122.820 0.207 0.000 2.016 1043 A HA 0.015 4.332 4.320 -0.005 0.000 0.217 1043 A C 0.163 177.792 177.584 0.076 0.000 1.162 1043 A CA 0.130 52.227 52.037 0.101 0.000 0.662 1043 A CB -0.379 18.656 19.000 0.059 0.000 0.812 1043 A HN 0.354 nan 8.150 nan 0.000 0.450 1044 Y N 1.343 121.652 120.300 0.015 0.000 2.712 1044 Y HA 0.028 4.575 4.550 -0.005 0.000 0.333 1044 Y C 2.177 178.080 175.900 0.005 0.000 1.225 1044 Y CA 0.964 59.066 58.100 0.003 0.000 1.499 1044 Y CB 0.624 39.071 38.460 -0.023 0.000 1.288 1044 Y HN 0.344 nan 8.280 nan 0.000 0.575 1045 T N -1.270 113.371 114.554 0.145 0.000 2.852 1045 T HA -0.087 4.260 4.350 -0.005 0.000 0.256 1045 T C 0.805 175.565 174.700 0.100 0.000 1.038 1045 T CA 0.552 62.706 62.100 0.090 0.000 1.141 1045 T CB -0.163 68.734 68.868 0.049 0.000 0.869 1045 T HN 0.416 nan 8.240 nan 0.000 0.439 1046 N N 2.833 121.613 118.700 0.134 0.000 2.663 1046 N HA 0.110 4.847 4.740 -0.005 0.000 0.250 1046 N C 0.692 176.249 175.510 0.079 0.000 1.129 1046 N CA -0.376 52.734 53.050 0.101 0.000 0.995 1046 N CB 0.394 38.942 38.487 0.102 0.000 1.324 1046 N HN 0.624 nan 8.380 nan 0.000 0.512 1047 K N 1.627 122.045 120.400 0.030 0.000 2.476 1047 K HA 0.134 4.451 4.320 -0.005 0.000 0.196 1047 K C 0.337 176.875 176.600 -0.104 0.000 1.025 1047 K CA 0.165 56.426 56.287 -0.044 0.000 1.138 1047 K CB 0.295 32.794 32.500 -0.003 0.000 0.860 1047 K HN 0.229 nan 8.250 nan 0.000 0.515 1048 R N 1.331 121.783 120.500 -0.079 0.000 2.694 1048 R HA 0.313 4.650 4.340 -0.005 0.000 0.334 1048 R C -0.560 175.674 176.300 -0.110 0.000 1.143 1048 R CA -0.288 55.761 56.100 -0.085 0.000 1.073 1048 R CB 0.179 30.453 30.300 -0.044 0.000 1.366 1048 R HN 0.155 nan 8.270 nan 0.000 0.577 1049 L N -0.586 120.529 121.223 -0.180 0.000 2.357 1049 L HA 0.353 4.690 4.340 -0.005 0.000 0.273 1049 L C 1.565 178.275 176.870 -0.266 0.000 1.080 1049 L CA -0.385 54.354 54.840 -0.168 0.000 0.803 1049 L CB 1.290 43.276 42.059 -0.121 0.000 1.174 1049 L HN 0.124 nan 8.230 nan 0.000 0.443 1050 A N 1.686 124.352 122.820 -0.255 0.000 1.884 1050 A HA -0.259 4.058 4.320 -0.005 0.000 0.219 1050 A C 2.085 179.342 177.584 -0.544 0.000 1.197 1050 A CA 2.165 53.922 52.037 -0.466 0.000 0.637 1050 A CB -1.017 17.527 19.000 -0.760 0.000 0.827 1050 A HN 0.992 nan 8.150 nan 0.000 0.450 1051 H N -0.198 118.487 119.070 -0.642 0.000 2.518 1051 H HA 0.028 4.582 4.556 -0.005 0.000 0.289 1051 H C 1.689 176.864 175.328 -0.254 0.000 1.051 1051 H CA 1.414 57.214 56.048 -0.414 0.000 1.280 1051 H CB -0.776 28.869 29.762 -0.195 0.000 1.380 1051 H HN 0.482 nan 8.280 nan 0.000 0.566 1052 L N 0.625 121.393 121.223 -0.759 0.000 2.217 1052 L HA -0.063 4.274 4.340 -0.005 0.000 0.211 1052 L C 2.513 179.285 176.870 -0.164 0.000 1.107 1052 L CA 1.172 55.700 54.840 -0.520 0.000 0.783 1052 L CB -0.489 41.226 42.059 -0.573 0.000 0.919 1052 L HN 0.203 nan 8.230 nan 0.000 0.442 1053 T N -0.153 114.293 114.554 -0.180 0.000 2.708 1053 T HA -0.144 4.203 4.350 -0.005 0.000 0.266 1053 T C 2.036 176.699 174.700 -0.062 0.000 1.037 1053 T CA 1.335 63.385 62.100 -0.084 0.000 1.146 1053 T CB -0.147 68.637 68.868 -0.141 0.000 0.865 1053 T HN 0.060 nan 8.240 nan 0.000 0.435 1054 V N 0.399 120.248 119.914 -0.109 0.000 2.427 1054 V HA -0.148 3.969 4.120 -0.005 0.000 0.248 1054 V C 1.965 178.023 176.094 -0.060 0.000 1.051 1054 V CA 1.413 63.672 62.300 -0.067 0.000 1.048 1054 V CB -0.784 31.028 31.823 -0.018 0.000 0.666 1054 V HN 0.489 nan 8.190 nan 0.000 0.456 1055 Y N 0.280 120.444 120.300 -0.225 0.000 2.102 1055 Y HA -0.356 4.191 4.550 -0.005 0.000 0.280 1055 Y C 2.287 177.959 175.900 -0.380 0.000 1.178 1055 Y CA 2.258 60.149 58.100 -0.348 0.000 1.146 1055 Y CB -0.385 37.744 38.460 -0.552 0.000 0.968 1055 Y HN 0.329 nan 8.280 nan 0.000 0.504 1056 Y N -0.523 119.785 120.300 0.013 0.000 2.475 1056 Y HA -0.044 4.503 4.550 -0.004 0.000 0.289 1056 Y C 2.272 178.111 175.900 -0.102 0.000 1.121 1056 Y CA 0.724 58.799 58.100 -0.041 0.000 1.257 1056 Y CB -0.041 38.425 38.460 0.009 0.000 1.026 1056 Y HN -0.007 nan 8.280 nan 0.000 0.555 1057 K N 0.257 120.653 120.400 -0.006 0.000 2.057 1057 K HA -0.145 4.172 4.320 -0.005 0.000 0.206 1057 K C 1.821 178.353 176.600 -0.113 0.000 1.050 1057 K CA 1.277 57.509 56.287 -0.091 0.000 0.935 1057 K CB -0.298 32.105 32.500 -0.162 0.000 0.715 1057 K HN 0.306 nan 8.250 nan 0.000 0.439 1058 L N 0.718 121.857 121.223 -0.140 0.000 2.046 1058 L HA -0.163 4.175 4.340 -0.005 0.000 0.208 1058 L C 2.694 179.478 176.870 -0.144 0.000 1.077 1058 L CA 1.129 55.882 54.840 -0.144 0.000 0.747 1058 L CB -0.277 41.673 42.059 -0.182 0.000 0.896 1058 L HN 0.266 nan 8.230 nan 0.000 0.432 1059 M N -0.540 118.946 119.600 -0.190 0.000 2.132 1059 M HA -0.173 4.304 4.480 -0.005 0.000 0.263 1059 M C 2.390 178.665 176.300 -0.041 0.000 1.065 1059 M CA 1.810 57.030 55.300 -0.134 0.000 1.122 1059 M CB -0.085 32.436 32.600 -0.132 0.000 1.365 1059 M HN 0.263 nan 8.290 nan 0.000 0.411 1060 A N 0.840 123.651 122.820 -0.016 0.000 1.917 1060 A HA -0.201 4.116 4.320 -0.005 0.000 0.219 1060 A C 2.005 179.581 177.584 -0.013 0.000 1.182 1060 A CA 1.855 53.888 52.037 -0.006 0.000 0.633 1060 A CB -0.687 18.304 19.000 -0.015 0.000 0.819 1060 A HN 0.616 nan 8.150 nan 0.000 0.448 1061 R N -1.552 118.932 120.500 -0.026 0.000 2.313 1061 R HA 0.179 4.516 4.340 -0.005 0.000 0.199 1061 R C -0.025 176.277 176.300 0.003 0.000 0.958 1061 R CA 0.192 56.291 56.100 -0.002 0.000 1.047 1061 R CB -0.005 30.299 30.300 0.007 0.000 0.955 1061 R HN 0.481 nan 8.270 nan 0.000 0.481 1062 R N -0.356 120.135 120.500 -0.014 0.000 3.416 1062 R HA -0.220 4.117 4.340 -0.005 0.000 0.263 1062 R C -0.138 176.152 176.300 -0.016 0.000 1.053 1062 R CA 0.429 56.520 56.100 -0.015 0.000 0.705 1062 R CB -1.997 28.303 30.300 0.000 0.000 1.124 1062 R HN 0.304 nan 8.270 nan 0.000 0.444 1063 A N 0.302 123.104 122.820 -0.029 0.000 2.250 1063 A HA 0.366 4.683 4.320 -0.005 0.000 0.283 1063 A C 0.382 177.936 177.584 -0.049 0.000 1.206 1063 A CA -0.381 51.641 52.037 -0.025 0.000 0.840 1063 A CB 0.339 19.328 19.000 -0.018 0.000 1.220 1063 A HN 0.178 nan 8.150 nan 0.000 0.505 1064 Q N 0.268 120.043 119.800 -0.042 0.000 2.271 1064 Q HA 0.247 4.584 4.340 -0.005 0.000 0.273 1064 Q C -0.542 175.404 176.000 -0.089 0.000 1.051 1064 Q CA 0.230 56.003 55.803 -0.051 0.000 0.901 1064 Q CB 0.821 29.537 28.738 -0.037 0.000 1.174 1064 Q HN 0.398 nan 8.270 nan 0.000 0.385 1065 V N 6.554 126.395 119.914 -0.121 0.000 2.546 1065 V HA 0.211 4.328 4.120 -0.005 0.000 0.284 1065 V C -1.876 174.147 176.094 -0.119 0.000 1.050 1065 V CA -1.466 60.689 62.300 -0.242 0.000 0.981 1065 V CB 1.092 32.711 31.823 -0.340 0.000 0.990 1065 V HN 0.664 nan 8.190 nan 0.000 0.474 1066 P HA 0.223 nan 4.420 nan 0.000 0.269 1066 P C -0.561 176.846 177.300 0.177 0.000 1.215 1066 P CA -0.037 63.115 63.100 0.087 0.000 0.780 1066 P CB 0.466 32.257 31.700 0.151 0.000 0.898 1067 S N 0.836 116.650 115.700 0.190 0.000 2.608 1067 S HA 0.416 4.883 4.470 -0.005 0.000 0.291 1067 S C 0.366 175.044 174.600 0.131 0.000 1.146 1067 S CA -0.647 57.660 58.200 0.178 0.000 1.043 1067 S CB 0.321 63.633 63.200 0.187 0.000 1.037 1067 S HN 0.269 nan 8.310 nan 0.000 0.520 1068 I N 3.144 123.774 120.570 0.099 0.000 2.741 1068 I HA -0.015 4.152 4.170 -0.005 0.000 0.288 1068 I C 0.972 177.076 176.117 -0.022 0.000 1.192 1068 I CA 0.683 62.012 61.300 0.048 0.000 1.426 1068 I CB 0.037 38.067 38.000 0.050 0.000 1.367 1068 I HN 0.724 nan 8.210 nan 0.000 0.563 1069 K N 1.956 122.334 120.400 -0.037 0.000 3.534 1069 K HA -0.117 4.200 4.320 -0.005 0.000 0.264 1069 K C -0.340 176.236 176.600 -0.040 0.000 1.227 1069 K CA 0.331 56.553 56.287 -0.108 0.000 0.971 1069 K CB -1.122 31.198 32.500 -0.301 0.000 1.352 1069 K HN 0.636 nan 8.250 nan 0.000 0.524 1070 D N 1.917 122.341 120.400 0.039 0.000 2.382 1070 D HA 0.080 4.717 4.640 -0.005 0.000 0.240 1070 D C 0.582 176.929 176.300 0.078 0.000 1.146 1070 D CA 0.201 54.260 54.000 0.098 0.000 0.897 1070 D CB 0.552 41.446 40.800 0.157 0.000 1.197 1070 D HN -0.048 nan 8.370 nan 0.000 0.432 1071 R N 1.464 122.008 120.500 0.074 0.000 2.297 1071 R HA 0.409 4.746 4.340 -0.005 0.000 0.308 1071 R C -0.139 176.216 176.300 0.092 0.000 1.029 1071 R CA -0.522 55.615 56.100 0.062 0.000 0.929 1071 R CB 0.593 30.918 30.300 0.042 0.000 1.046 1071 R HN 0.392 nan 8.270 nan 0.000 0.461 1072 I N 5.817 126.461 120.570 0.122 0.000 2.307 1072 I HA 0.207 4.374 4.170 -0.005 0.000 0.289 1072 I C -1.827 174.419 176.117 0.215 0.000 1.021 1072 I CA -2.030 59.374 61.300 0.174 0.000 1.224 1072 I CB 1.671 39.810 38.000 0.232 0.000 1.376 1072 I HN 0.185 nan 8.210 nan 0.000 0.470 1073 P HA 0.244 nan 4.420 nan 0.000 0.278 1073 P C -1.552 175.873 177.300 0.209 0.000 1.238 1073 P CA 0.048 63.208 63.100 0.100 0.000 0.794 1073 P CB 0.958 32.688 31.700 0.049 0.000 0.955 1074 Y N -0.148 120.186 120.300 0.056 0.000 2.656 1074 Y HA 0.663 5.210 4.550 -0.005 0.000 0.334 1074 Y C -1.388 174.559 175.900 0.077 0.000 1.179 1074 Y CA -1.478 56.651 58.100 0.049 0.000 1.050 1074 Y CB 0.747 39.223 38.460 0.026 0.000 1.308 1074 Y HN 0.378 nan 8.280 nan 0.000 0.456 1075 V N 0.010 120.058 119.914 0.225 0.000 3.040 1075 V HA 0.717 4.834 4.120 -0.005 0.000 0.312 1075 V C -1.152 175.055 176.094 0.189 0.000 1.115 1075 V CA -1.097 61.331 62.300 0.212 0.000 0.998 1075 V CB 2.123 34.062 31.823 0.193 0.000 1.042 1075 V HN 0.761 nan 8.190 nan 0.000 0.433 1076 I N 3.094 123.736 120.570 0.121 0.000 2.315 1076 I HA 0.464 4.631 4.170 -0.005 0.000 0.291 1076 I C 0.280 176.425 176.117 0.046 0.000 1.006 1076 I CA -0.439 60.805 61.300 -0.093 0.000 1.265 1076 I CB 1.040 38.664 38.000 -0.627 0.000 1.387 1076 I HN 0.479 nan 8.210 nan 0.000 0.475 1077 V N 5.458 125.375 119.914 0.006 0.000 2.743 1077 V HA 0.541 4.658 4.120 -0.005 0.000 0.301 1077 V C 0.772 176.871 176.094 0.008 0.000 1.057 1077 V CA -0.801 61.510 62.300 0.018 0.000 1.006 1077 V CB 1.905 33.735 31.823 0.012 0.000 1.024 1077 V HN 0.903 nan 8.190 nan 0.000 0.473 1078 A N 3.390 126.215 122.820 0.009 0.000 2.511 1078 A HA 0.241 4.559 4.320 -0.005 0.000 0.242 1078 A C 0.217 177.805 177.584 0.006 0.000 1.069 1078 A CA 0.122 52.164 52.037 0.008 0.000 0.763 1078 A CB -0.113 18.885 19.000 -0.002 0.000 1.001 1078 A HN 0.875 nan 8.150 nan 0.000 0.498 1079 Q N 1.104 120.909 119.800 0.009 0.000 2.352 1079 Q HA 0.444 4.781 4.340 -0.005 0.000 0.260 1079 Q C -0.633 175.373 176.000 0.009 0.000 0.976 1079 Q CA 0.557 56.364 55.803 0.006 0.000 0.881 1079 Q CB 0.513 29.257 28.738 0.009 0.000 1.235 1079 Q HN 0.706 nan 8.270 nan 0.000 0.419 1080 T N 3.111 117.670 114.554 0.008 0.000 3.225 1080 T HA 0.193 4.541 4.350 -0.005 0.000 0.356 1080 T C 0.191 174.897 174.700 0.010 0.000 1.460 1080 T CA -0.710 61.398 62.100 0.012 0.000 1.126 1080 T CB 1.191 70.069 68.868 0.018 0.000 1.321 1080 T HN 0.766 nan 8.240 nan 0.000 0.478 1081 R N 0.901 121.408 120.500 0.012 0.000 2.159 1081 R HA -0.229 4.108 4.340 -0.005 0.000 0.252 1081 R C 1.613 177.919 176.300 0.011 0.000 1.144 1081 R CA 2.115 58.221 56.100 0.011 0.000 0.961 1081 R CB -0.065 30.243 30.300 0.013 0.000 0.877 1081 R HN 0.570 nan 8.270 nan 0.000 0.444 1082 E N -0.322 119.890 120.200 0.019 0.000 2.038 1082 E HA -0.154 4.193 4.350 -0.005 0.000 0.195 1082 E C 2.024 178.629 176.600 0.008 0.000 1.000 1082 E CA 1.274 57.690 56.400 0.026 0.000 0.803 1082 E CB -0.349 29.382 29.700 0.051 0.000 0.750 1082 E HN 0.113 nan 8.360 nan 0.000 0.448 1083 V N 0.839 120.753 119.914 0.001 0.000 2.307 1083 V HA -0.244 3.873 4.120 -0.005 0.000 0.245 1083 V C 2.042 178.122 176.094 -0.024 0.000 1.045 1083 V CA 1.952 64.238 62.300 -0.023 0.000 1.024 1083 V CB -0.509 31.301 31.823 -0.022 0.000 0.651 1083 V HN 0.240 nan 8.190 nan 0.000 0.449 1084 E N 0.371 120.564 120.200 -0.012 0.000 2.085 1084 E HA -0.291 4.056 4.350 -0.005 0.000 0.194 1084 E C 2.192 178.783 176.600 -0.014 0.000 0.994 1084 E CA 1.751 58.144 56.400 -0.012 0.000 0.801 1084 E CB -0.129 29.568 29.700 -0.004 0.000 0.743 1084 E HN 0.897 nan 8.360 nan 0.000 0.453 1085 E N -0.081 120.113 120.200 -0.010 0.000 2.208 1085 E HA -0.100 4.247 4.350 -0.005 0.000 0.193 1085 E C 1.506 178.096 176.600 -0.017 0.000 0.988 1085 E CA 1.527 57.922 56.400 -0.009 0.000 0.828 1085 E CB -0.129 29.570 29.700 -0.001 0.000 0.763 1085 E HN 0.136 nan 8.360 nan 0.000 0.478 1086 T N -1.062 113.477 114.554 -0.026 0.000 3.144 1086 T HA 0.176 4.524 4.350 -0.005 0.000 0.249 1086 T C 1.660 176.332 174.700 -0.046 0.000 1.089 1086 T CA 0.163 62.241 62.100 -0.037 0.000 0.989 1086 T CB 0.283 69.120 68.868 -0.052 0.000 0.992 1086 T HN 0.032 nan 8.240 nan 0.000 0.540 1087 V N 1.487 121.376 119.914 -0.042 0.000 2.343 1087 V HA -0.116 4.001 4.120 -0.005 0.000 0.247 1087 V C 3.061 179.126 176.094 -0.047 0.000 1.051 1087 V CA 1.860 64.133 62.300 -0.046 0.000 1.036 1087 V CB -1.278 30.522 31.823 -0.038 0.000 0.654 1087 V HN 0.663 nan 8.190 nan 0.000 0.451 1088 A N -0.127 122.670 122.820 -0.039 0.000 1.975 1088 A HA -0.076 4.241 4.320 -0.005 0.000 0.215 1088 A C 2.363 179.921 177.584 -0.043 0.000 1.170 1088 A CA 1.041 53.055 52.037 -0.039 0.000 0.656 1088 A CB -0.376 18.607 19.000 -0.028 0.000 0.821 1088 A HN 0.465 nan 8.150 nan 0.000 0.449 1089 R N -0.373 120.104 120.500 -0.038 0.000 2.096 1089 R HA -0.038 4.299 4.340 -0.005 0.000 0.235 1089 R C 1.855 178.125 176.300 -0.050 0.000 1.127 1089 R CA 1.418 57.496 56.100 -0.037 0.000 0.968 1089 R CB -0.457 29.826 30.300 -0.028 0.000 0.861 1089 R HN 0.496 nan 8.270 nan 0.000 0.440 1090 L N -0.342 120.845 121.223 -0.059 0.000 2.072 1090 L HA -0.073 4.264 4.340 -0.005 0.000 0.205 1090 L C 2.621 179.412 176.870 -0.132 0.000 1.079 1090 L CA 1.120 55.913 54.840 -0.079 0.000 0.752 1090 L CB -0.525 41.497 42.059 -0.062 0.000 0.906 1090 L HN 0.219 nan 8.230 nan 0.000 0.436 1091 A N 0.143 122.898 122.820 -0.107 0.000 1.940 1091 A HA -0.215 4.102 4.320 -0.005 0.000 0.219 1091 A C 2.509 180.020 177.584 -0.121 0.000 1.176 1091 A CA 1.913 53.879 52.037 -0.118 0.000 0.631 1091 A CB -0.730 18.222 19.000 -0.081 0.000 0.814 1091 A HN 0.410 nan 8.150 nan 0.000 0.446 1092 A N -0.573 122.193 122.820 -0.090 0.000 1.898 1092 A HA 0.006 4.323 4.320 -0.005 0.000 0.216 1092 A C 2.191 179.725 177.584 -0.084 0.000 1.181 1092 A CA 1.345 53.339 52.037 -0.072 0.000 0.620 1092 A CB -0.563 18.409 19.000 -0.047 0.000 0.819 1092 A HN 0.508 nan 8.150 nan 0.000 0.442 1093 L N -1.010 120.154 121.223 -0.099 0.000 2.046 1093 L HA -0.191 4.146 4.340 -0.005 0.000 0.208 1093 L C 2.798 179.552 176.870 -0.194 0.000 1.077 1093 L CA 2.012 56.794 54.840 -0.096 0.000 0.747 1093 L CB -0.295 41.727 42.059 -0.062 0.000 0.896 1093 L HN 0.504 nan 8.230 nan 0.000 0.432 1094 R N -0.230 120.059 120.500 -0.352 0.000 2.062 1094 R HA -0.227 4.110 4.340 -0.005 0.000 0.226 1094 R C 2.157 178.308 176.300 -0.248 0.000 1.125 1094 R CA 1.407 57.172 56.100 -0.558 0.000 0.966 1094 R CB -0.106 29.805 30.300 -0.649 0.000 0.861 1094 R HN 0.267 nan 8.270 nan 0.000 0.433 1095 E N 1.079 121.180 120.200 -0.164 0.000 2.086 1095 E HA -0.230 4.117 4.350 -0.005 0.000 0.205 1095 E C 1.130 177.698 176.600 -0.053 0.000 1.027 1095 E CA 1.793 58.141 56.400 -0.087 0.000 0.830 1095 E CB -0.465 29.194 29.700 -0.068 0.000 0.751 1095 E HN 0.436 nan 8.360 nan 0.000 0.456 1096 L N 0.761 121.955 121.223 -0.049 0.000 2.855 1096 L HA 0.146 4.483 4.340 -0.005 0.000 0.257 1096 L C -0.002 176.883 176.870 0.025 0.000 1.206 1096 L CA 0.163 54.997 54.840 -0.010 0.000 1.042 1096 L CB -0.538 41.519 42.059 -0.004 0.000 1.321 1096 L HN 0.149 nan 8.230 nan 0.000 0.417 1137 L N 2.436 123.658 121.223 -0.003 0.000 3.133 1137 L HA -0.268 4.069 4.340 -0.005 0.000 0.532 1137 L C -0.359 176.506 176.870 -0.009 0.000 1.002 1137 L CA 0.240 55.073 54.840 -0.012 0.000 1.276 1137 L CB -1.136 40.914 42.059 -0.015 0.000 1.195 1137 L HN 0.490 nan 8.230 nan 0.000 0.594 1138 L N 3.467 124.680 121.223 -0.016 0.000 2.474 1138 L HA 0.069 4.406 4.340 -0.005 0.000 0.259 1138 L C 1.770 178.621 176.870 -0.031 0.000 1.232 1138 L CA -0.375 54.457 54.840 -0.013 0.000 0.821 1138 L CB 0.451 42.500 42.059 -0.017 0.000 1.108 1138 L HN 0.413 nan 8.230 nan 0.000 0.495 1139 V N 0.494 120.394 119.914 -0.024 0.000 2.282 1139 V HA -0.305 3.812 4.120 -0.005 0.000 0.249 1139 V C 2.488 178.500 176.094 -0.135 0.000 1.057 1139 V CA 2.342 64.594 62.300 -0.080 0.000 1.032 1139 V CB -0.612 31.189 31.823 -0.035 0.000 0.645 1139 V HN 1.077 nan 8.190 nan 0.000 0.447 1140 S N -0.255 115.382 115.700 -0.106 0.000 2.399 1140 S HA -0.247 4.220 4.470 -0.005 0.000 0.231 1140 S C 1.749 176.266 174.600 -0.139 0.000 1.022 1140 S CA 1.754 59.868 58.200 -0.143 0.000 0.983 1140 S CB -0.500 62.629 63.200 -0.119 0.000 0.803 1140 S HN 0.740 nan 8.310 nan 0.000 0.480 1141 E N 0.747 120.886 120.200 -0.101 0.000 2.285 1141 E HA 0.146 4.493 4.350 -0.005 0.000 0.194 1141 E C 1.412 177.957 176.600 -0.091 0.000 0.997 1141 E CA 0.611 56.958 56.400 -0.088 0.000 0.845 1141 E CB -0.189 29.472 29.700 -0.064 0.000 0.782 1141 E HN 0.550 nan 8.360 nan 0.000 0.491 1142 L N 0.660 121.824 121.223 -0.099 0.000 2.612 1142 L HA 0.187 4.525 4.340 -0.005 0.000 0.230 1142 L C 0.797 177.607 176.870 -0.099 0.000 1.140 1142 L CA -0.644 54.141 54.840 -0.092 0.000 0.896 1142 L CB 0.042 42.048 42.059 -0.088 0.000 1.065 1142 L HN -0.020 nan 8.230 nan 0.000 0.447 1143 A N 0.720 123.466 122.820 -0.124 0.000 2.407 1143 A HA 0.422 4.739 4.320 -0.005 0.000 0.248 1143 A C -0.114 177.436 177.584 -0.058 0.000 1.082 1143 A CA 0.156 52.137 52.037 -0.094 0.000 0.785 1143 A CB 0.687 19.540 19.000 -0.244 0.000 1.020 1143 A HN 0.224 nan 8.150 nan 0.000 0.489 1144 E N 0.690 120.908 120.200 0.030 0.000 2.354 1144 E HA 0.355 4.702 4.350 -0.005 0.000 0.283 1144 E C -1.357 175.292 176.600 0.082 0.000 0.938 1144 E CA -0.528 55.874 56.400 0.003 0.000 0.777 1144 E CB 1.308 31.005 29.700 -0.006 0.000 1.222 1144 E HN 0.669 nan 8.360 nan 0.000 0.423 1145 D N 4.450 124.876 120.400 0.045 0.000 2.525 1145 D HA 0.054 4.691 4.640 -0.005 0.000 0.235 1145 D C -1.686 174.691 176.300 0.129 0.000 1.137 1145 D CA -1.005 53.050 54.000 0.091 0.000 0.868 1145 D CB 1.198 42.037 40.800 0.065 0.000 1.180 1145 D HN 0.226 nan 8.370 nan 0.000 0.465 1146 P HA -0.092 nan 4.420 nan 0.000 0.215 1146 P C 1.003 178.369 177.300 0.109 0.000 1.157 1146 P CA 1.773 64.936 63.100 0.104 0.000 0.863 1146 P CB -0.043 31.704 31.700 0.079 0.000 0.787 1147 A N -0.755 122.127 122.820 0.104 0.000 1.884 1147 A HA -0.298 4.019 4.320 -0.005 0.000 0.219 1147 A C 2.343 180.004 177.584 0.128 0.000 1.197 1147 A CA 2.157 54.251 52.037 0.095 0.000 0.637 1147 A CB -2.080 16.972 19.000 0.086 0.000 0.827 1147 A HN 0.206 nan 8.150 nan 0.000 0.450 1148 Y N 0.385 120.716 120.300 0.052 0.000 2.128 1148 Y HA -0.142 4.405 4.550 -0.005 0.000 0.284 1148 Y C 2.724 178.683 175.900 0.098 0.000 1.154 1148 Y CA 1.726 59.868 58.100 0.070 0.000 1.149 1148 Y CB -0.518 37.914 38.460 -0.046 0.000 0.976 1148 Y HN 0.350 nan 8.280 nan 0.000 0.505 1149 A N 0.537 123.509 122.820 0.254 0.000 1.892 1149 A HA -0.243 4.074 4.320 -0.005 0.000 0.218 1149 A C 2.271 179.891 177.584 0.060 0.000 1.188 1149 A CA 2.266 54.395 52.037 0.154 0.000 0.631 1149 A CB -1.249 17.821 19.000 0.116 0.000 0.822 1149 A HN 0.608 nan 8.150 nan 0.000 0.447 1150 I N -0.391 120.207 120.570 0.046 0.000 2.226 1150 I HA -0.278 3.889 4.170 -0.005 0.000 0.245 1150 I C 2.812 178.916 176.117 -0.022 0.000 1.100 1150 I CA 1.177 62.483 61.300 0.009 0.000 1.374 1150 I CB -0.256 37.752 38.000 0.013 0.000 1.057 1150 I HN 0.359 nan 8.210 nan 0.000 0.413 1151 A N -0.626 122.176 122.820 -0.029 0.000 2.168 1151 A HA -0.149 4.169 4.320 -0.005 0.000 0.215 1151 A C 1.474 178.886 177.584 -0.287 0.000 1.152 1151 A CA 1.280 53.243 52.037 -0.124 0.000 0.716 1151 A CB -0.721 18.207 19.000 -0.119 0.000 0.794 1151 A HN 0.501 nan 8.150 nan 0.000 0.465 1152 H N -1.511 117.387 119.070 -0.288 0.000 2.784 1152 H HA 0.376 4.929 4.556 -0.005 0.000 0.273 1152 H C 1.320 176.575 175.328 -0.123 0.000 1.112 1152 H CA -0.321 55.582 56.048 -0.243 0.000 1.162 1152 H CB 0.096 29.644 29.762 -0.357 0.000 1.586 1152 H HN 0.413 nan 8.280 nan 0.000 0.548 1153 G N 1.633 110.427 108.800 -0.009 0.000 2.412 1153 G HA2 -0.278 3.679 3.960 -0.005 0.000 0.297 1153 G HA3 -0.278 3.679 3.960 -0.005 0.000 0.297 1153 G C 0.061 174.960 174.900 -0.001 0.000 0.965 1153 G CA 0.544 45.633 45.100 -0.017 0.000 1.134 1153 G HN 0.257 nan 8.290 nan 0.000 0.511 1154 V N 0.364 120.290 119.914 0.021 0.000 2.834 1154 V HA 0.639 4.756 4.120 -0.005 0.000 0.301 1154 V C 1.153 177.232 176.094 -0.025 0.000 1.066 1154 V CA -0.256 62.058 62.300 0.024 0.000 1.052 1154 V CB 1.463 33.327 31.823 0.067 0.000 1.021 1154 V HN 1.068 nan 8.190 nan 0.000 0.480 1155 A N 4.544 127.344 122.820 -0.033 0.000 2.425 1155 A HA 0.536 4.853 4.320 -0.005 0.000 0.249 1155 A C -0.072 177.461 177.584 -0.084 0.000 1.084 1155 A CA -0.360 51.631 52.037 -0.076 0.000 0.781 1155 A CB -0.040 18.922 19.000 -0.063 0.000 1.019 1155 A HN 0.785 nan 8.150 nan 0.000 0.490 1156 L N 1.675 122.796 121.223 -0.170 0.000 2.473 1156 L HA 0.077 4.414 4.340 -0.005 0.000 0.268 1156 L C 1.142 177.990 176.870 -0.035 0.000 1.215 1156 L CA -0.358 54.387 54.840 -0.159 0.000 0.823 1156 L CB 0.269 42.033 42.059 -0.492 0.000 1.099 1156 L HN 0.770 nan 8.230 nan 0.000 0.483 1157 N N 0.674 119.451 118.700 0.128 0.000 2.448 1157 N HA 0.021 4.758 4.740 -0.005 0.000 0.250 1157 N C 0.668 176.293 175.510 0.191 0.000 1.136 1157 N CA -0.068 53.065 53.050 0.137 0.000 0.953 1157 N CB 1.049 39.619 38.487 0.138 0.000 1.251 1157 N HN 0.575 nan 8.380 nan 0.000 0.502 1158 T N 1.830 116.408 114.554 0.040 0.000 2.665 1158 T HA -0.176 4.172 4.350 -0.005 0.000 0.268 1158 T C 1.248 176.007 174.700 0.098 0.000 1.035 1158 T CA 1.094 63.163 62.100 -0.052 0.000 1.151 1158 T CB -0.069 68.679 68.868 -0.201 0.000 0.862 1158 T HN 0.500 nan 8.240 nan 0.000 0.438 1159 D N -0.368 120.114 120.400 0.138 0.000 2.178 1159 D HA -0.088 4.549 4.640 -0.005 0.000 0.201 1159 D C 1.808 178.254 176.300 0.243 0.000 0.980 1159 D CA 0.772 54.892 54.000 0.200 0.000 0.842 1159 D CB -0.147 40.755 40.800 0.170 0.000 0.948 1159 D HN 0.447 nan 8.370 nan 0.000 0.472 1160 Y N 0.403 120.769 120.300 0.111 0.000 2.089 1160 Y HA -0.282 4.265 4.550 -0.005 0.000 0.282 1160 Y C 2.041 178.015 175.900 0.124 0.000 1.139 1160 Y CA 1.743 59.879 58.100 0.060 0.000 1.123 1160 Y CB -0.838 37.522 38.460 -0.166 0.000 0.980 1160 Y HN -0.031 nan 8.280 nan 0.000 0.493 1161 Y N -1.521 118.888 120.300 0.182 0.000 2.109 1161 Y HA -0.240 4.307 4.550 -0.005 0.000 0.285 1161 Y C 2.431 178.458 175.900 0.212 0.000 1.131 1161 Y CA 1.959 60.138 58.100 0.132 0.000 1.121 1161 Y CB -1.099 37.483 38.460 0.202 0.000 0.987 1161 Y HN 0.184 nan 8.280 nan 0.000 0.495 1162 F N 0.061 120.143 119.950 0.220 0.000 2.161 1162 F HA -0.279 4.245 4.527 -0.005 0.000 0.300 1162 F C 2.737 178.620 175.800 0.138 0.000 1.089 1162 F CA 1.597 59.707 58.000 0.183 0.000 1.282 1162 F CB -0.785 38.268 39.000 0.089 0.000 1.010 1162 F HN 0.002 nan 8.300 nan 0.000 0.485 1163 S N -0.857 114.923 115.700 0.135 0.000 2.359 1163 S HA -0.247 4.220 4.470 -0.005 0.000 0.224 1163 S C 2.240 176.739 174.600 -0.169 0.000 1.035 1163 S CA 1.632 59.813 58.200 -0.032 0.000 1.018 1163 S CB -0.614 62.577 63.200 -0.016 0.000 0.876 1163 S HN 0.549 nan 8.310 nan 0.000 0.448 1164 H N 0.102 119.064 119.070 -0.180 0.000 2.357 1164 H HA -0.054 4.500 4.556 -0.005 0.000 0.301 1164 H C 2.221 177.482 175.328 -0.112 0.000 1.082 1164 H CA 1.585 57.523 56.048 -0.183 0.000 1.342 1164 H CB -0.540 29.038 29.762 -0.306 0.000 1.389 1164 H HN 0.328 nan 8.280 nan 0.000 0.511 1165 L N 1.436 122.679 121.223 0.032 0.000 1.997 1165 L HA -0.213 4.124 4.340 -0.005 0.000 0.216 1165 L C 2.359 179.133 176.870 -0.161 0.000 1.074 1165 L CA 1.470 56.275 54.840 -0.059 0.000 0.763 1165 L CB -1.010 41.015 42.059 -0.058 0.000 0.890 1165 L HN 0.166 nan 8.230 nan 0.000 0.434 1166 L N -1.066 119.997 121.223 -0.267 0.000 2.131 1166 L HA -0.121 4.216 4.340 -0.005 0.000 0.210 1166 L C 2.528 179.321 176.870 -0.129 0.000 1.092 1166 L CA 1.080 55.786 54.840 -0.224 0.000 0.759 1166 L CB -1.468 40.442 42.059 -0.248 0.000 0.903 1166 L HN 0.477 nan 8.230 nan 0.000 0.435 1167 G N -0.001 108.719 108.800 -0.133 0.000 2.459 1167 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.217 1167 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.217 1167 G C 1.800 176.666 174.900 -0.056 0.000 1.183 1167 G CA 0.956 45.993 45.100 -0.104 0.000 0.776 1167 G HN 0.458 nan 8.290 nan 0.000 0.552 1168 A N 1.294 124.088 122.820 -0.043 0.000 1.873 1168 A HA 0.120 4.437 4.320 -0.005 0.000 0.218 1168 A C 2.877 180.453 177.584 -0.013 0.000 1.193 1168 A CA 2.833 54.855 52.037 -0.025 0.000 0.629 1168 A CB -1.070 17.916 19.000 -0.023 0.000 0.826 1168 A HN 0.998 nan 8.150 nan 0.000 0.447 1169 A N -1.153 121.676 122.820 0.014 0.000 1.908 1169 A HA -0.262 4.055 4.320 -0.005 0.000 0.218 1169 A C 2.466 180.162 177.584 0.187 0.000 1.181 1169 A CA 1.963 54.092 52.037 0.153 0.000 0.627 1169 A CB -1.496 17.564 19.000 0.101 0.000 0.818 1169 A HN 0.973 nan 8.150 nan 0.000 0.445 1170 C N -1.006 118.339 119.300 0.075 0.000 2.440 1170 C HA -0.017 4.440 4.460 -0.005 0.000 0.278 1170 C C 2.651 177.672 174.990 0.052 0.000 1.295 1170 C CA 1.184 60.245 59.018 0.072 0.000 1.738 1170 C CB -1.461 26.283 27.740 0.008 0.000 1.987 1170 C HN 0.405 nan 8.230 nan 0.000 0.492 1171 V N 0.992 120.911 119.914 0.009 0.000 2.407 1171 V HA -0.178 3.939 4.120 -0.005 0.000 0.248 1171 V C 2.616 178.684 176.094 -0.042 0.000 1.055 1171 V CA 2.646 64.940 62.300 -0.011 0.000 1.049 1171 V CB -1.001 30.809 31.823 -0.022 0.000 0.662 1171 V HN 0.676 nan 8.190 nan 0.000 0.455 1172 T N -0.334 114.152 114.554 -0.113 0.000 2.706 1172 T HA -0.050 4.297 4.350 -0.005 0.000 0.255 1172 T C 1.586 176.144 174.700 -0.238 0.000 1.048 1172 T CA 1.376 63.318 62.100 -0.263 0.000 1.153 1172 T CB -0.403 68.130 68.868 -0.558 0.000 0.865 1172 T HN 0.371 nan 8.240 nan 0.000 0.414 1173 F N 2.604 122.542 119.950 -0.021 0.000 2.546 1173 F HA 0.052 4.576 4.527 -0.005 0.000 0.298 1173 F C 2.232 178.075 175.800 0.071 0.000 1.120 1173 F CA 0.309 58.294 58.000 -0.026 0.000 1.456 1173 F CB -0.448 38.489 39.000 -0.104 0.000 1.088 1173 F HN 0.212 nan 8.300 nan 0.000 0.572 1174 K N 0.658 121.198 120.400 0.234 0.000 2.218 1174 K HA -0.163 4.154 4.320 -0.005 0.000 0.205 1174 K C 2.032 178.741 176.600 0.182 0.000 1.046 1174 K CA 1.348 57.788 56.287 0.255 0.000 0.933 1174 K CB -0.802 31.790 32.500 0.152 0.000 0.728 1174 K HN 0.227 nan 8.250 nan 0.000 0.454 1175 A N 1.695 124.566 122.820 0.085 0.000 2.125 1175 A HA -0.023 4.294 4.320 -0.005 0.000 0.219 1175 A C 2.034 179.600 177.584 -0.029 0.000 1.156 1175 A CA 0.852 52.916 52.037 0.044 0.000 0.671 1175 A CB -0.534 18.487 19.000 0.034 0.000 0.794 1175 A HN 0.312 nan 8.150 nan 0.000 0.459 1176 L N -2.228 118.903 121.223 -0.153 0.000 2.552 1176 L HA 0.060 4.398 4.340 -0.005 0.000 0.227 1176 L C 0.136 176.544 176.870 -0.771 0.000 1.146 1176 L CA 0.535 55.053 54.840 -0.538 0.000 0.858 1176 L CB -0.048 41.501 42.059 -0.851 0.000 0.969 1176 L HN 0.445 nan 8.230 nan 0.000 0.451 1177 F N -1.098 118.904 119.950 0.085 0.000 2.619 1177 F HA 0.369 4.893 4.527 -0.005 0.000 0.382 1177 F C 1.264 177.120 175.800 0.094 0.000 1.466 1177 F CA -0.525 57.539 58.000 0.107 0.000 1.137 1177 F CB 0.461 39.519 39.000 0.096 0.000 1.205 1177 F HN -0.076 nan 8.300 nan 0.000 0.525 1178 G N 1.278 110.183 108.800 0.175 0.000 2.258 1178 G HA2 -0.391 3.567 3.960 -0.005 0.000 0.274 1178 G HA3 -0.391 3.567 3.960 -0.005 0.000 0.274 1178 G C 0.553 175.530 174.900 0.128 0.000 1.021 1178 G CA 0.615 45.797 45.100 0.136 0.000 0.798 1178 G HN 0.725 nan 8.290 nan 0.000 0.507 1179 N N -1.692 117.090 118.700 0.137 0.000 2.741 1179 N HA -0.210 4.528 4.740 -0.005 0.000 0.251 1179 N C 0.066 175.639 175.510 0.105 0.000 1.112 1179 N CA 1.034 54.152 53.050 0.113 0.000 0.750 1179 N CB -0.969 37.568 38.487 0.082 0.000 1.119 1179 N HN 0.639 nan 8.380 nan 0.000 0.561 1180 N N 1.235 120.013 118.700 0.129 0.000 2.421 1180 N HA 0.315 5.052 4.740 -0.005 0.000 0.260 1180 N C 1.059 176.613 175.510 0.072 0.000 1.173 1180 N CA 0.647 53.753 53.050 0.093 0.000 0.960 1180 N CB 0.764 39.308 38.487 0.096 0.000 1.273 1180 N HN 0.322 nan 8.380 nan 0.000 0.497 1181 A N 4.565 127.415 122.820 0.051 0.000 1.978 1181 A HA -0.230 4.088 4.320 -0.005 0.000 0.220 1181 A C 1.887 179.473 177.584 0.005 0.000 1.170 1181 A CA 1.489 53.544 52.037 0.031 0.000 0.636 1181 A CB -0.155 18.857 19.000 0.021 0.000 0.810 1181 A HN 0.768 nan 8.150 nan 0.000 0.448 1182 K N -0.120 120.281 120.400 0.001 0.000 1.968 1182 K HA 0.044 4.361 4.320 -0.005 0.000 0.215 1182 K C 1.748 178.320 176.600 -0.046 0.000 1.040 1182 K CA 1.283 57.559 56.287 -0.019 0.000 0.959 1182 K CB -0.667 31.826 32.500 -0.011 0.000 0.740 1182 K HN 0.290 nan 8.250 nan 0.000 0.443 1183 I N 2.110 122.654 120.570 -0.043 0.000 2.161 1183 I HA -0.388 3.779 4.170 -0.005 0.000 0.246 1183 I C 2.357 178.340 176.117 -0.225 0.000 1.048 1183 I CA 1.977 63.216 61.300 -0.102 0.000 1.314 1183 I CB -0.858 37.105 38.000 -0.061 0.000 1.014 1183 I HN 0.417 nan 8.210 nan 0.000 0.418 1184 T N -0.295 114.151 114.554 -0.180 0.000 2.635 1184 T HA -0.287 4.061 4.350 -0.005 0.000 0.267 1184 T C 1.772 176.375 174.700 -0.161 0.000 1.040 1184 T CA 1.854 63.832 62.100 -0.203 0.000 1.156 1184 T CB -0.361 68.541 68.868 0.057 0.000 0.863 1184 T HN 0.444 nan 8.240 nan 0.000 0.430 1185 E N 0.591 120.734 120.200 -0.095 0.000 2.049 1185 E HA -0.172 4.175 4.350 -0.005 0.000 0.198 1185 E C 2.471 178.999 176.600 -0.120 0.000 1.007 1185 E CA 1.505 57.852 56.400 -0.088 0.000 0.809 1185 E CB -0.136 29.524 29.700 -0.067 0.000 0.749 1185 E HN 0.364 nan 8.360 nan 0.000 0.450 1186 S N 0.408 116.030 115.700 -0.129 0.000 2.402 1186 S HA -0.151 4.316 4.470 -0.005 0.000 0.233 1186 S C 1.897 176.404 174.600 -0.154 0.000 1.030 1186 S CA 1.004 59.126 58.200 -0.131 0.000 1.003 1186 S CB -0.140 62.995 63.200 -0.108 0.000 0.813 1186 S HN 0.282 nan 8.310 nan 0.000 0.477 1187 L N -0.125 120.972 121.223 -0.211 0.000 2.307 1187 L HA 0.122 4.459 4.340 -0.005 0.000 0.211 1187 L C 1.884 178.692 176.870 -0.104 0.000 1.099 1187 L CA 0.277 54.983 54.840 -0.223 0.000 0.816 1187 L CB -0.398 41.416 42.059 -0.409 0.000 0.952 1187 L HN 0.228 nan 8.230 nan 0.000 0.455 1188 L N 0.173 121.376 121.223 -0.034 0.000 2.201 1188 L HA -0.122 4.215 4.340 -0.005 0.000 0.212 1188 L C 2.484 179.409 176.870 0.090 0.000 1.105 1188 L CA 1.362 56.272 54.840 0.118 0.000 0.775 1188 L CB -0.539 41.513 42.059 -0.011 0.000 0.913 1188 L HN 0.078 nan 8.230 nan 0.000 0.440 1189 K N -0.195 120.167 120.400 -0.063 0.000 2.103 1189 K HA -0.083 4.234 4.320 -0.005 0.000 0.207 1189 K C 2.018 178.626 176.600 0.013 0.000 1.048 1189 K CA 0.919 57.118 56.287 -0.147 0.000 0.930 1189 K CB -0.412 31.855 32.500 -0.388 0.000 0.716 1189 K HN 0.267 nan 8.250 nan 0.000 0.444 1190 R N -0.115 120.323 120.500 -0.104 0.000 2.249 1190 R HA -0.083 4.254 4.340 -0.005 0.000 0.230 1190 R C 1.953 178.101 176.300 -0.252 0.000 1.121 1190 R CA 0.895 56.863 56.100 -0.219 0.000 0.997 1190 R CB -0.541 29.490 30.300 -0.449 0.000 0.867 1190 R HN 0.281 nan 8.270 nan 0.000 0.465 1191 F N 0.606 120.585 119.950 0.047 0.000 2.765 1191 F HA 0.243 4.767 4.527 -0.004 0.000 0.302 1191 F C 1.239 177.128 175.800 0.149 0.000 1.111 1191 F CA -0.270 57.773 58.000 0.072 0.000 1.359 1191 F CB 0.316 39.328 39.000 0.019 0.000 1.097 1191 F HN -0.094 nan 8.300 nan 0.000 0.577 1192 I N -3.385 117.388 120.570 0.338 0.000 2.828 1192 I HA 0.574 4.741 4.170 -0.005 0.000 0.302 1192 I C -2.856 173.387 176.117 0.209 0.000 1.101 1192 I CA -2.902 58.628 61.300 0.383 0.000 1.031 1192 I CB 1.656 40.032 38.000 0.626 0.000 1.231 1192 I HN -0.371 nan 8.210 nan 0.000 0.427 1193 P HA 0.043 nan 4.420 nan 0.000 0.264 1193 P C 0.463 177.499 177.300 -0.441 0.000 1.193 1193 P CA 0.234 63.106 63.100 -0.381 0.000 0.763 1193 P CB 0.758 31.919 31.700 -0.898 0.000 0.810 1194 E N 3.012 122.823 120.200 -0.649 0.000 2.108 1194 E HA -0.253 4.094 4.350 -0.005 0.000 0.203 1194 E C 1.411 177.653 176.600 -0.598 0.000 1.022 1194 E CA 2.163 57.927 56.400 -1.060 0.000 0.823 1194 E CB -0.314 29.073 29.700 -0.522 0.000 0.744 1194 E HN 0.331 nan 8.360 nan 0.000 0.456 1195 V N -1.648 118.021 119.914 -0.408 0.000 3.284 1195 V HA -0.127 3.991 4.120 -0.005 0.000 0.273 1195 V C 0.752 176.870 176.094 0.040 0.000 1.178 1195 V CA 1.093 63.261 62.300 -0.221 0.000 1.177 1195 V CB -0.748 30.902 31.823 -0.289 0.000 0.793 1195 V HN 0.365 nan 8.190 nan 0.000 0.536 1196 W N -0.283 120.993 121.300 -0.040 0.000 2.702 1196 W HA 0.457 5.115 4.660 -0.005 0.000 0.369 1196 W C 1.136 177.853 176.519 0.330 0.000 0.987 1196 W CA -1.640 55.764 57.345 0.098 0.000 1.702 1196 W CB -1.045 28.388 29.460 -0.046 0.000 1.138 1196 W HN 0.421 nan 8.180 nan 0.000 0.552 1197 H N 0.000 119.247 119.070 0.295 0.000 2.539 1197 H HA 0.000 4.553 4.556 -0.005 0.000 0.296 1197 H CA 0.000 56.179 56.048 0.219 0.000 1.023 1197 H CB 0.000 29.840 29.762 0.130 0.000 1.292 1197 H HN 0.000 nan 8.280 nan 0.000 0.496