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 3iay_1_A DATA FIRST_RESID 95 DATA SEQUENCE SSFERKKLPT DFDPSLYDIS FQQIDAEQSV LNGIKDENTS TVVRFFGVTS DATA SEQUENCE EGHSVLCNVT GFKNYLYVPA PNSSDANDQE QINKFVHYLN ETFDHAIDSI DATA SEQUENCE EVVSKQSIWG YSGDTKLPFW KIYVTYPHMV NKLRTAFERG HLSFNSWFSN DATA SEQUENCE GTTTYDNIAY TLRLMVDCGI VGMSWITLPK GKYSMIEPNN RVSSCQLEVS DATA SEQUENCE INYRNLIAHP AEGDWSHTAP LRIMSFDIEC AGRIGVFPEP EYDPVIQIAN DATA SEQUENCE VVSIAGAKKP FIRNVFTLNT CSPITGSMIF SHATEEEMLS NWRNFIIKVD DATA SEQUENCE PDVIIGYNTT NFDIPYLLNR AKALKVNDFP YFGRLKTVKQ EIKESVFSSK DATA SEQUENCE AYGTRETKNV NIDGRLQLDL LQFIQREYKL RSYTLNAVSA HFLGEQXXXX DATA SEQUENCE XXSIISDLQN GDSETRRRLA VYCLKDAYLP LRLMEKLMAL VNYTEMARVT DATA SEQUENCE GVPFSYLLAR GQQIKVVSQL FRKCLEIDTV IPNMQSQASD DQYEGATVIE DATA SEQUENCE PIRGYYDVPI ATLDFNSLYP SIMMAHNLCY TTLCNKATVE RLNLKIDEDY DATA SEQUENCE VITPNGDYFV TTKRRRGILP IILDELISAR KRAKKDLRDE KDPFKRDVLN DATA SEQUENCE GRQLALKISA NSVYGFTGAT VGKLPCLAIS SSVTAYGRTM ILKTKTAVQE DATA SEQUENCE KYCIKNGYKH DAVVVYGDTD SVMVKFGTTD LKEAMDLGTE AAKYVSTLFK DATA SEQUENCE HPINLEFEKA YFPYLLINKK RYAGLFWTNP DKFDKLDQKG LASVRRDSCS DATA SEQUENCE LVSIVMNKVL KKILIERNVD GALAFVRETI NDILHNRVDI SKLIISKTLA DATA SEQUENCE PNYTNPQPHA VLAERMKRRE GVGPNVGDRV DYVIIGGNDK LYNRAEDPLF DATA SEQUENCE VLENNIQVDS RYYLTNQLQN PIISIVAPII GDKQANGMFV V 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 95 S HA 0.000 nan 4.470 nan 0.000 0.327 95 S C 0.000 174.877 174.600 0.461 0.000 1.055 95 S CA 0.000 58.475 58.200 0.458 0.000 1.107 95 S CB 0.000 63.373 63.200 0.289 0.000 0.593 96 S N -1.480 114.445 115.700 0.376 0.000 4.713 96 S HA 0.528 5.010 4.470 0.020 0.000 0.036 96 S C 1.279 175.970 174.600 0.152 0.000 0.862 96 S CA 0.351 58.719 58.200 0.281 0.000 0.897 96 S CB -2.174 61.191 63.200 0.276 0.000 0.317 96 S HN 2.291 nan 8.310 nan 0.000 0.805 97 F N 2.360 122.437 119.950 0.212 0.000 2.613 97 F HA 0.414 4.953 4.527 0.020 0.000 0.373 97 F C 0.610 176.489 175.800 0.131 0.000 1.085 97 F CA 1.153 59.263 58.000 0.184 0.000 1.309 97 F CB -0.199 38.955 39.000 0.256 0.000 0.986 97 F HN 0.553 nan 8.300 nan 0.000 0.592 98 E N 1.720 121.959 120.200 0.065 0.000 2.254 98 E HA 0.439 4.802 4.350 0.020 0.000 0.258 98 E C -0.352 176.255 176.600 0.012 0.000 1.033 98 E CA -0.857 55.558 56.400 0.025 0.000 0.893 98 E CB 1.474 31.178 29.700 0.007 0.000 1.204 98 E HN 0.719 nan 8.360 nan 0.000 0.425 99 R N 1.132 121.633 120.500 0.002 0.000 2.738 99 R HA 0.057 4.409 4.340 0.020 0.000 0.268 99 R C 0.508 176.816 176.300 0.013 0.000 1.062 99 R CA -0.193 55.904 56.100 -0.005 0.000 1.158 99 R CB 0.353 30.665 30.300 0.019 0.000 1.046 99 R HN 0.349 nan 8.270 nan 0.000 0.493 100 K N 1.957 122.354 120.400 -0.004 0.000 2.524 100 K HA -0.058 4.274 4.320 0.020 0.000 0.279 100 K C -0.167 176.535 176.600 0.170 0.000 0.993 100 K CA 0.371 56.683 56.287 0.041 0.000 1.030 100 K CB 0.425 32.904 32.500 -0.034 0.000 0.891 100 K HN 0.533 nan 8.250 nan 0.000 0.488 101 K N 4.467 124.925 120.400 0.097 0.000 2.414 101 K HA 0.101 4.433 4.320 0.020 0.000 0.272 101 K C 0.401 177.012 176.600 0.017 0.000 0.993 101 K CA -0.025 56.285 56.287 0.039 0.000 0.964 101 K CB -0.067 32.439 32.500 0.011 0.000 0.925 101 K HN 0.620 nan 8.250 nan 0.000 0.487 102 L N 2.229 123.334 121.223 -0.198 0.000 2.473 102 L HA 0.200 4.553 4.340 0.020 0.000 0.268 102 L C -1.650 175.118 176.870 -0.170 0.000 1.215 102 L CA -1.658 52.938 54.840 -0.407 0.000 0.823 102 L CB 0.539 42.287 42.059 -0.518 0.000 1.099 102 L HN 0.614 nan 8.230 nan 0.000 0.483 103 P HA -0.006 nan 4.420 nan 0.000 0.266 103 P C 0.436 177.741 177.300 0.008 0.000 1.195 103 P CA 0.087 63.170 63.100 -0.028 0.000 0.768 103 P CB 0.516 32.175 31.700 -0.069 0.000 0.838 104 T N 0.368 114.952 114.554 0.050 0.000 2.915 104 T HA -0.122 4.240 4.350 0.020 0.000 0.269 104 T C 0.842 175.595 174.700 0.089 0.000 1.071 104 T CA 1.716 63.849 62.100 0.055 0.000 1.132 104 T CB -0.540 68.360 68.868 0.052 0.000 0.878 104 T HN 0.629 nan 8.240 nan 0.000 0.479 105 D N 0.195 120.675 120.400 0.135 0.000 2.395 105 D HA 0.050 4.702 4.640 0.020 0.000 0.226 105 D C 0.205 176.636 176.300 0.219 0.000 1.146 105 D CA -0.687 53.410 54.000 0.163 0.000 0.830 105 D CB -1.071 39.831 40.800 0.169 0.000 0.958 105 D HN 0.315 nan 8.370 nan 0.000 0.501 106 F N 1.879 121.828 119.950 -0.001 0.000 2.607 106 F HA 0.236 4.775 4.527 0.021 0.000 0.374 106 F C 0.163 176.002 175.800 0.065 0.000 1.104 106 F CA 0.509 58.445 58.000 -0.107 0.000 1.296 106 F CB 0.504 39.317 39.000 -0.311 0.000 1.085 106 F HN -0.042 nan 8.300 nan 0.000 0.584 107 D N 7.334 127.239 120.400 -0.825 0.000 2.787 107 D HA 0.121 4.774 4.640 0.020 0.000 0.215 107 D C -2.418 173.530 176.300 -0.587 0.000 1.246 107 D CA -1.218 52.506 54.000 -0.459 0.000 0.798 107 D CB 2.525 43.238 40.800 -0.145 0.000 1.649 107 D HN 0.174 nan 8.370 nan 0.000 0.507 108 P HA -0.130 nan 4.420 nan 0.000 0.219 108 P C 1.190 178.230 177.300 -0.433 0.000 1.146 108 P CA 1.010 63.813 63.100 -0.494 0.000 0.808 108 P CB 0.086 31.466 31.700 -0.534 0.000 0.779 109 S N -2.105 113.429 115.700 -0.276 0.000 2.562 109 S HA 0.030 4.512 4.470 0.020 0.000 0.221 109 S C 1.587 176.091 174.600 -0.160 0.000 0.975 109 S CA 0.377 58.459 58.200 -0.197 0.000 0.918 109 S CB -0.705 62.409 63.200 -0.143 0.000 0.772 109 S HN -0.042 nan 8.310 nan 0.000 0.531 110 L N -0.936 120.183 121.223 -0.173 0.000 2.500 110 L HA 0.502 4.854 4.340 0.020 0.000 0.219 110 L C -0.479 176.206 176.870 -0.308 0.000 1.057 110 L CA 0.414 55.115 54.840 -0.231 0.000 0.854 110 L CB -0.386 41.527 42.059 -0.243 0.000 1.078 110 L HN 0.286 nan 8.230 nan 0.000 0.480 111 Y N 0.118 120.345 120.300 -0.122 0.000 2.341 111 Y HA 0.368 4.930 4.550 0.020 0.000 0.338 111 Y C 0.036 176.051 175.900 0.193 0.000 0.965 111 Y CA -1.566 56.547 58.100 0.021 0.000 1.108 111 Y CB 1.074 39.525 38.460 -0.015 0.000 1.180 111 Y HN -0.056 nan 8.280 nan 0.000 0.458 112 D N 3.328 123.924 120.400 0.327 0.000 2.362 112 D HA 0.271 4.924 4.640 0.020 0.000 0.242 112 D C -0.357 176.168 176.300 0.375 0.000 1.132 112 D CA 0.375 54.582 54.000 0.346 0.000 0.907 112 D CB 1.217 42.173 40.800 0.260 0.000 1.195 112 D HN 0.395 nan 8.370 nan 0.000 0.429 113 I N 1.107 121.830 120.570 0.255 0.000 2.382 113 I HA 0.121 4.303 4.170 0.020 0.000 0.285 113 I C -0.252 176.057 176.117 0.320 0.000 1.007 113 I CA -0.373 61.053 61.300 0.210 0.000 1.142 113 I CB 1.318 39.282 38.000 -0.059 0.000 1.289 113 I HN -0.033 nan 8.210 nan 0.000 0.453 114 S N 6.765 122.726 115.700 0.436 0.000 2.449 114 S HA 0.735 5.218 4.470 0.020 0.000 0.310 114 S C -0.711 174.355 174.600 0.776 0.000 1.096 114 S CA -0.518 58.028 58.200 0.577 0.000 1.095 114 S CB 0.891 64.444 63.200 0.588 0.000 1.007 114 S HN 0.454 nan 8.310 nan 0.000 0.474 115 F N 0.632 120.829 119.950 0.412 0.000 2.601 115 F HA 0.574 5.112 4.527 0.019 0.000 0.309 115 F C -0.705 174.895 175.800 -0.333 0.000 1.089 115 F CA -1.304 56.752 58.000 0.093 0.000 0.940 115 F CB 1.252 40.255 39.000 0.005 0.000 1.273 115 F HN 0.441 nan 8.300 nan 0.000 0.450 116 Q N 2.827 122.007 119.800 -1.034 0.000 2.307 116 Q HA 0.325 4.677 4.340 0.020 0.000 0.259 116 Q C -0.881 174.797 176.000 -0.537 0.000 0.998 116 Q CA -0.704 54.383 55.803 -1.194 0.000 0.923 116 Q CB 1.054 29.015 28.738 -1.295 0.000 1.196 116 Q HN 0.780 nan 8.270 nan 0.000 0.416 117 Q N 3.614 123.101 119.800 -0.522 0.000 2.286 117 Q HA 0.243 4.595 4.340 0.020 0.000 0.257 117 Q C 0.174 176.155 176.000 -0.031 0.000 0.941 117 Q CA 0.022 55.737 55.803 -0.146 0.000 0.912 117 Q CB 0.760 29.425 28.738 -0.121 0.000 1.192 117 Q HN 0.820 nan 8.270 nan 0.000 0.410 118 I N -2.860 117.752 120.570 0.070 0.000 4.139 118 I HA 0.506 4.688 4.170 0.020 0.000 0.320 118 I C -0.339 175.827 176.117 0.082 0.000 1.290 118 I CA -0.027 61.286 61.300 0.022 0.000 1.253 118 I CB 0.665 38.635 38.000 -0.051 0.000 1.122 118 I HN 0.497 nan 8.210 nan 0.000 0.421 119 D N 0.810 121.305 120.400 0.159 0.000 2.622 119 D HA 0.768 5.420 4.640 0.020 0.000 0.255 119 D C -1.702 174.688 176.300 0.149 0.000 1.246 119 D CA -0.106 53.972 54.000 0.130 0.000 0.795 119 D CB 2.658 43.508 40.800 0.083 0.000 1.369 119 D HN 0.325 nan 8.370 nan 0.000 0.425 120 A N 1.114 123.920 122.820 -0.023 0.000 2.574 120 A HA 0.761 5.093 4.320 0.020 0.000 0.297 120 A C -1.466 176.029 177.584 -0.148 0.000 1.062 120 A CA -0.620 51.242 52.037 -0.292 0.000 0.686 120 A CB 1.610 19.994 19.000 -1.026 0.000 1.285 120 A HN 0.533 nan 8.150 nan 0.000 0.403 121 E N 1.019 121.152 120.200 -0.112 0.000 2.392 121 E HA 0.443 4.805 4.350 0.020 0.000 0.279 121 E C -0.822 175.780 176.600 0.004 0.000 0.964 121 E CA -0.854 55.540 56.400 -0.011 0.000 0.777 121 E CB 1.213 30.959 29.700 0.077 0.000 1.249 121 E HN 0.700 nan 8.360 nan 0.000 0.449 122 Q N 1.743 121.588 119.800 0.075 0.000 2.337 122 Q HA 0.298 4.651 4.340 0.020 0.000 0.270 122 Q C -1.029 175.035 176.000 0.106 0.000 1.002 122 Q CA 0.281 56.183 55.803 0.166 0.000 0.888 122 Q CB 0.988 29.879 28.738 0.254 0.000 1.222 122 Q HN 0.540 nan 8.270 nan 0.000 0.400 123 S N 2.182 117.945 115.700 0.105 0.000 2.615 123 S HA 0.522 5.004 4.470 0.020 0.000 0.269 123 S C -1.701 172.930 174.600 0.052 0.000 1.161 123 S CA -0.703 57.534 58.200 0.062 0.000 0.817 123 S CB 1.764 64.999 63.200 0.058 0.000 1.131 123 S HN 0.449 nan 8.310 nan 0.000 0.467 124 V N 2.839 122.767 119.914 0.024 0.000 2.435 124 V HA 0.560 4.692 4.120 0.020 0.000 0.290 124 V C -0.496 175.611 176.094 0.022 0.000 1.030 124 V CA -0.629 61.681 62.300 0.015 0.000 0.881 124 V CB 1.315 33.127 31.823 -0.019 0.000 0.983 124 V HN 0.722 nan 8.190 nan 0.000 0.445 125 L N 5.600 126.843 121.223 0.033 0.000 2.275 125 L HA 0.413 4.765 4.340 0.020 0.000 0.288 125 L C 0.424 177.307 176.870 0.022 0.000 1.046 125 L CA 0.370 55.229 54.840 0.031 0.000 0.805 125 L CB 0.917 43.004 42.059 0.047 0.000 1.193 125 L HN 0.640 nan 8.230 nan 0.000 0.426 126 N N 3.409 122.118 118.700 0.015 0.000 2.492 126 N HA 0.416 5.168 4.740 0.020 0.000 0.262 126 N C 0.169 175.688 175.510 0.015 0.000 1.202 126 N CA 1.183 54.239 53.050 0.010 0.000 0.926 126 N CB 0.605 39.095 38.487 0.005 0.000 1.078 126 N HN 0.939 nan 8.380 nan 0.000 0.454 127 G N 0.110 108.918 108.800 0.013 0.000 2.566 127 G HA2 -0.081 3.891 3.960 0.020 0.000 0.599 127 G HA3 -0.081 3.891 3.960 0.020 0.000 0.599 127 G C 0.103 175.016 174.900 0.021 0.000 1.292 127 G CA -0.563 44.546 45.100 0.016 0.000 0.922 127 G HN 0.778 nan 8.290 nan 0.000 0.514 128 I N -0.022 120.561 120.570 0.022 0.000 3.156 128 I HA 0.324 4.506 4.170 0.020 0.000 0.327 128 I C 1.120 177.258 176.117 0.035 0.000 1.194 128 I CA 1.668 62.983 61.300 0.025 0.000 1.473 128 I CB -0.752 37.263 38.000 0.025 0.000 1.294 128 I HN 0.820 nan 8.210 nan 0.000 0.548 129 K N 3.244 123.665 120.400 0.036 0.000 2.107 129 K HA 0.537 4.869 4.320 0.020 0.000 0.251 129 K C -0.699 175.932 176.600 0.053 0.000 1.012 129 K CA -0.275 56.040 56.287 0.046 0.000 0.920 129 K CB 0.686 33.211 32.500 0.041 0.000 1.033 129 K HN 0.912 nan 8.250 nan 0.000 0.478 130 D N 1.058 121.501 120.400 0.070 0.000 2.629 130 D HA 0.090 4.742 4.640 0.020 0.000 0.250 130 D C -0.919 175.430 176.300 0.081 0.000 1.126 130 D CA -0.200 53.847 54.000 0.079 0.000 0.852 130 D CB 0.774 41.639 40.800 0.107 0.000 1.335 130 D HN 0.576 nan 8.370 nan 0.000 0.518 131 E N 2.523 122.756 120.200 0.056 0.000 2.328 131 E HA -0.342 4.020 4.350 0.020 0.000 0.233 131 E C -0.189 176.420 176.600 0.015 0.000 1.219 131 E CA 0.558 56.977 56.400 0.032 0.000 0.717 131 E CB -1.040 28.696 29.700 0.060 0.000 1.210 131 E HN 0.637 nan 8.360 nan 0.000 0.381 132 N N -0.827 117.887 118.700 0.023 0.000 2.776 132 N HA -0.162 4.590 4.740 0.020 0.000 0.250 132 N C -1.225 174.308 175.510 0.039 0.000 1.112 132 N CA 1.844 54.907 53.050 0.022 0.000 0.733 132 N CB -0.726 37.762 38.487 0.001 0.000 1.097 132 N HN 0.460 nan 8.380 nan 0.000 0.558 133 T N -1.695 112.893 114.554 0.058 0.000 2.933 133 T HA 0.574 4.936 4.350 0.020 0.000 0.305 133 T C 0.692 175.442 174.700 0.082 0.000 1.092 133 T CA 0.157 62.301 62.100 0.074 0.000 1.008 133 T CB 1.031 69.947 68.868 0.080 0.000 1.102 133 T HN 0.259 nan 8.240 nan 0.000 0.469 134 S N 2.008 117.753 115.700 0.076 0.000 2.540 134 S HA 0.252 4.734 4.470 0.020 0.000 0.218 134 S C 0.623 175.265 174.600 0.069 0.000 0.977 134 S CA -0.347 57.892 58.200 0.065 0.000 0.918 134 S CB 0.055 63.279 63.200 0.041 0.000 0.806 134 S HN 0.636 nan 8.310 nan 0.000 0.496 135 T N 3.091 117.692 114.554 0.080 0.000 2.882 135 T HA 0.626 4.988 4.350 0.020 0.000 0.287 135 T C -0.077 174.729 174.700 0.176 0.000 0.992 135 T CA -0.294 61.853 62.100 0.078 0.000 1.076 135 T CB 1.487 70.345 68.868 -0.017 0.000 0.961 135 T HN 0.470 nan 8.240 nan 0.000 0.490 136 V N 0.489 120.524 119.914 0.202 0.000 3.141 136 V HA 0.843 4.975 4.120 0.020 0.000 0.312 136 V C -0.774 175.484 176.094 0.273 0.000 1.157 136 V CA -0.984 61.465 62.300 0.247 0.000 1.041 136 V CB 1.924 33.837 31.823 0.151 0.000 1.071 136 V HN 0.537 nan 8.190 nan 0.000 0.441 137 V N 2.269 122.291 119.914 0.180 0.000 2.370 137 V HA 0.529 4.661 4.120 0.020 0.000 0.279 137 V C 0.281 176.348 176.094 -0.045 0.000 1.029 137 V CA -0.497 61.796 62.300 -0.011 0.000 0.870 137 V CB 1.135 32.837 31.823 -0.203 0.000 0.984 137 V HN 0.885 nan 8.190 nan 0.000 0.451 138 R N 4.491 124.911 120.500 -0.133 0.000 2.202 138 R HA 0.462 4.814 4.340 0.020 0.000 0.334 138 R C -1.164 174.931 176.300 -0.343 0.000 1.036 138 R CA -0.148 55.829 56.100 -0.206 0.000 0.878 138 R CB 0.806 30.966 30.300 -0.232 0.000 1.067 138 R HN 0.503 nan 8.270 nan 0.000 0.457 139 F N 3.093 122.916 119.950 -0.212 0.000 2.404 139 F HA 0.396 4.936 4.527 0.022 0.000 0.339 139 F C 0.095 175.778 175.800 -0.195 0.000 1.105 139 F CA -0.433 57.533 58.000 -0.056 0.000 1.087 139 F CB 0.914 39.984 39.000 0.117 0.000 1.143 139 F HN 0.305 nan 8.300 nan 0.000 0.491 140 F N 0.942 121.051 119.950 0.265 0.000 2.522 140 F HA 0.826 5.365 4.527 0.021 0.000 0.324 140 F C 0.572 176.516 175.800 0.240 0.000 1.077 140 F CA -0.538 57.560 58.000 0.163 0.000 0.944 140 F CB 1.980 41.013 39.000 0.055 0.000 1.175 140 F HN 0.593 nan 8.300 nan 0.000 0.468 141 G N 0.312 109.337 108.800 0.375 0.000 2.364 141 G HA2 0.535 4.507 3.960 0.020 0.000 0.286 141 G HA3 0.535 4.507 3.960 0.020 0.000 0.286 141 G C -2.305 172.720 174.900 0.209 0.000 1.241 141 G CA -0.655 44.638 45.100 0.322 0.000 0.887 141 G HN 0.532 nan 8.290 nan 0.000 0.484 142 V N 0.690 120.703 119.914 0.165 0.000 2.808 142 V HA 0.664 4.797 4.120 0.020 0.000 0.308 142 V C 0.558 176.725 176.094 0.122 0.000 1.099 142 V CA -0.144 62.209 62.300 0.090 0.000 0.920 142 V CB 1.483 33.316 31.823 0.018 0.000 1.014 142 V HN 1.371 nan 8.190 nan 0.000 0.425 143 T N -0.113 114.554 114.554 0.189 0.000 2.816 143 T HA 0.227 4.589 4.350 0.020 0.000 0.282 143 T C 1.481 176.364 174.700 0.305 0.000 0.993 143 T CA 0.266 62.557 62.100 0.319 0.000 0.994 143 T CB 1.288 70.338 68.868 0.303 0.000 1.025 143 T HN 1.012 nan 8.240 nan 0.000 0.529 144 S N -0.024 115.936 115.700 0.434 0.000 2.419 144 S HA -0.118 4.364 4.470 0.020 0.000 0.233 144 S C 1.253 175.922 174.600 0.115 0.000 1.016 144 S CA 0.931 59.323 58.200 0.320 0.000 0.974 144 S CB -0.705 62.631 63.200 0.227 0.000 0.786 144 S HN 0.812 nan 8.310 nan 0.000 0.492 145 E N 1.090 121.314 120.200 0.040 0.000 2.489 145 E HA 0.385 4.747 4.350 0.020 0.000 0.193 145 E C 1.188 177.603 176.600 -0.309 0.000 1.057 145 E CA 0.436 56.758 56.400 -0.130 0.000 0.866 145 E CB -0.349 29.255 29.700 -0.159 0.000 0.916 145 E HN 0.634 nan 8.360 nan 0.000 0.500 146 G N 1.209 109.887 108.800 -0.202 0.000 2.142 146 G HA2 -0.231 3.741 3.960 0.020 0.000 0.225 146 G HA3 -0.231 3.741 3.960 0.020 0.000 0.225 146 G C -0.474 174.288 174.900 -0.229 0.000 1.015 146 G CA -0.405 44.578 45.100 -0.193 0.000 0.716 146 G HN 0.311 nan 8.290 nan 0.000 0.508 147 H N 0.860 119.930 119.070 -0.000 0.000 2.502 147 H HA 0.569 5.137 4.556 0.020 0.000 0.327 147 H C 0.877 176.177 175.328 -0.046 0.000 1.099 147 H CA 0.202 56.223 56.048 -0.045 0.000 1.323 147 H CB 1.532 31.245 29.762 -0.081 0.000 1.450 147 H HN 0.459 nan 8.280 nan 0.000 0.502 148 S N 1.811 117.549 115.700 0.062 0.000 2.586 148 S HA 0.519 5.001 4.470 0.020 0.000 0.274 148 S C 0.049 174.609 174.600 -0.067 0.000 1.281 148 S CA -0.771 57.435 58.200 0.011 0.000 1.035 148 S CB 1.189 64.397 63.200 0.013 0.000 0.962 148 S HN 0.305 nan 8.310 nan 0.000 0.512 149 V N 2.972 122.818 119.914 -0.112 0.000 2.638 149 V HA 0.505 4.637 4.120 0.020 0.000 0.306 149 V C -0.944 174.987 176.094 -0.271 0.000 1.052 149 V CA -0.815 61.296 62.300 -0.315 0.000 0.885 149 V CB 1.557 32.932 31.823 -0.747 0.000 0.999 149 V HN 0.897 nan 8.190 nan 0.000 0.424 150 L N 5.376 126.423 121.223 -0.293 0.000 2.298 150 L HA 0.720 5.072 4.340 0.020 0.000 0.284 150 L C -0.564 176.087 176.870 -0.364 0.000 1.013 150 L CA -0.130 54.469 54.840 -0.401 0.000 0.824 150 L CB 1.002 42.869 42.059 -0.320 0.000 1.221 150 L HN 0.861 nan 8.230 nan 0.000 0.418 151 C N 6.221 125.323 119.300 -0.331 0.000 2.293 151 C HA 0.545 5.017 4.460 0.020 0.000 0.323 151 C C -0.380 174.594 174.990 -0.027 0.000 1.240 151 C CA -0.794 58.120 59.018 -0.172 0.000 1.497 151 C CB -0.189 27.474 27.740 -0.128 0.000 2.171 151 C HN 0.842 nan 8.230 nan 0.000 0.465 152 N N 4.592 123.281 118.700 -0.019 0.000 2.411 152 N HA 0.196 4.948 4.740 0.020 0.000 0.259 152 N C -0.461 175.122 175.510 0.122 0.000 1.103 152 N CA 0.041 53.118 53.050 0.045 0.000 0.954 152 N CB 1.603 40.110 38.487 0.034 0.000 1.085 152 N HN 0.548 nan 8.380 nan 0.000 0.485 153 V N 2.633 122.663 119.914 0.193 0.000 2.348 153 V HA 0.204 4.336 4.120 0.020 0.000 0.270 153 V C 0.916 177.154 176.094 0.240 0.000 1.037 153 V CA -0.528 61.905 62.300 0.221 0.000 0.872 153 V CB 0.660 32.646 31.823 0.271 0.000 1.002 153 V HN 0.706 nan 8.190 nan 0.000 0.464 154 T N 1.074 115.772 114.554 0.240 0.000 2.936 154 T HA 0.676 5.038 4.350 0.020 0.000 0.282 154 T C 1.030 175.936 174.700 0.344 0.000 1.003 154 T CA 0.152 62.401 62.100 0.247 0.000 1.005 154 T CB 1.683 70.655 68.868 0.173 0.000 1.097 154 T HN 1.581 nan 8.240 nan 0.000 0.532 155 G N 0.174 109.156 108.800 0.304 0.000 2.162 155 G HA2 -0.230 3.742 3.960 0.020 0.000 0.260 155 G HA3 -0.230 3.742 3.960 0.020 0.000 0.260 155 G C -0.163 174.972 174.900 0.392 0.000 0.976 155 G CA 0.161 45.455 45.100 0.323 0.000 0.655 155 G HN 0.951 nan 8.290 nan 0.000 0.533 156 F N 2.613 122.668 119.950 0.176 0.000 2.313 156 F HA 0.585 5.124 4.527 0.020 0.000 0.369 156 F C 0.655 176.556 175.800 0.168 0.000 1.109 156 F CA -0.911 57.048 58.000 -0.068 0.000 1.132 156 F CB 0.505 39.336 39.000 -0.282 0.000 1.291 156 F HN -0.027 nan 8.300 nan 0.000 0.496 157 K N 4.155 124.445 120.400 -0.184 0.000 2.276 157 K HA 0.111 4.443 4.320 0.020 0.000 0.283 157 K C 0.032 176.629 176.600 -0.006 0.000 1.044 157 K CA -0.687 55.592 56.287 -0.015 0.000 0.944 157 K CB 0.557 33.069 32.500 0.021 0.000 1.012 157 K HN 0.520 nan 8.250 nan 0.000 0.472 158 N N 2.130 120.908 118.700 0.130 0.000 2.340 158 N HA 0.041 4.794 4.740 0.020 0.000 0.236 158 N C -1.164 174.352 175.510 0.010 0.000 1.296 158 N CA 0.329 53.430 53.050 0.085 0.000 0.896 158 N CB 0.313 38.823 38.487 0.038 0.000 1.127 158 N HN 0.441 nan 8.380 nan 0.000 0.442 159 Y N -1.167 119.046 120.300 -0.144 0.000 2.689 159 Y HA 0.605 5.168 4.550 0.022 0.000 0.333 159 Y C -1.487 174.235 175.900 -0.296 0.000 1.208 159 Y CA -1.494 56.409 58.100 -0.329 0.000 1.055 159 Y CB 0.508 38.559 38.460 -0.682 0.000 1.304 159 Y HN 0.326 nan 8.280 nan 0.000 0.455 160 L N -0.538 120.610 121.223 -0.125 0.000 2.350 160 L HA 0.757 5.110 4.340 0.020 0.000 0.260 160 L C -2.019 174.775 176.870 -0.126 0.000 1.015 160 L CA -1.842 52.938 54.840 -0.100 0.000 0.821 160 L CB 1.385 43.406 42.059 -0.062 0.000 1.370 160 L HN 0.656 nan 8.230 nan 0.000 0.416 161 Y N 1.085 121.477 120.300 0.152 0.000 2.360 161 Y HA 0.769 5.331 4.550 0.020 0.000 0.337 161 Y C 0.258 176.260 175.900 0.170 0.000 1.039 161 Y CA -0.625 57.574 58.100 0.164 0.000 1.109 161 Y CB 2.131 40.683 38.460 0.153 0.000 1.201 161 Y HN 0.665 nan 8.280 nan 0.000 0.458 162 V N 0.657 120.720 119.914 0.248 0.000 2.914 162 V HA 0.766 4.898 4.120 0.020 0.000 0.314 162 V C -3.004 173.073 176.094 -0.028 0.000 1.084 162 V CA -3.433 58.904 62.300 0.062 0.000 0.963 162 V CB 2.067 33.605 31.823 -0.474 0.000 1.025 162 V HN 0.454 nan 8.190 nan 0.000 0.432 163 P HA 0.314 nan 4.420 nan 0.000 0.271 163 P C -0.056 176.828 177.300 -0.693 0.000 1.216 163 P CA 0.358 62.901 63.100 -0.928 0.000 0.776 163 P CB 0.498 31.744 31.700 -0.757 0.000 0.881 164 A N 5.547 127.829 122.820 -0.896 0.000 2.498 164 A HA 0.321 4.653 4.320 0.020 0.000 0.239 164 A C -1.936 175.031 177.584 -1.029 0.000 1.068 164 A CA -0.783 50.468 52.037 -1.310 0.000 0.766 164 A CB -1.418 17.008 19.000 -0.957 0.000 1.003 164 A HN 0.418 nan 8.150 nan 0.000 0.497 165 P HA 0.227 nan 4.420 nan 0.000 0.269 165 P C 0.287 177.180 177.300 -0.678 0.000 1.209 165 P CA 0.217 62.680 63.100 -1.062 0.000 0.776 165 P CB 0.221 30.998 31.700 -1.538 0.000 0.876 166 N N 0.548 118.970 118.700 -0.463 0.000 3.124 166 N HA 0.337 5.089 4.740 0.020 0.000 0.284 166 N C -0.044 175.336 175.510 -0.218 0.000 1.209 166 N CA -0.227 52.645 53.050 -0.296 0.000 1.149 166 N CB -0.391 37.963 38.487 -0.221 0.000 1.434 166 N HN 0.393 nan 8.380 nan 0.000 0.529 167 S N -1.053 114.516 115.700 -0.218 0.000 2.536 167 S HA 0.648 5.131 4.470 0.020 0.000 0.271 167 S C 1.374 175.957 174.600 -0.029 0.000 1.134 167 S CA 0.405 58.557 58.200 -0.080 0.000 0.897 167 S CB 1.031 64.246 63.200 0.026 0.000 1.094 167 S HN 0.793 nan 8.310 nan 0.000 0.473 168 S N 1.786 117.501 115.700 0.024 0.000 2.399 168 S HA -0.118 4.364 4.470 0.020 0.000 0.231 168 S C 1.138 175.790 174.600 0.086 0.000 1.022 168 S CA 1.968 60.188 58.200 0.033 0.000 0.983 168 S CB -0.576 62.640 63.200 0.027 0.000 0.803 168 S HN 0.862 nan 8.310 nan 0.000 0.480 169 D N 0.533 121.039 120.400 0.177 0.000 2.340 169 D HA 0.397 5.049 4.640 0.020 0.000 0.220 169 D C 1.386 177.910 176.300 0.373 0.000 1.039 169 D CA 0.626 54.792 54.000 0.276 0.000 0.866 169 D CB -0.323 40.667 40.800 0.318 0.000 0.913 169 D HN 0.367 nan 8.370 nan 0.000 0.523 170 A N 1.529 124.442 122.820 0.155 0.000 2.070 170 A HA -0.212 4.120 4.320 0.020 0.000 0.220 170 A C 1.797 179.478 177.584 0.163 0.000 1.159 170 A CA 1.324 53.338 52.037 -0.040 0.000 0.656 170 A CB -0.930 17.874 19.000 -0.325 0.000 0.800 170 A HN 0.594 nan 8.150 nan 0.000 0.453 171 N N -1.459 117.325 118.700 0.140 0.000 2.236 171 N HA 0.012 4.764 4.740 0.020 0.000 0.196 171 N C -0.115 175.479 175.510 0.139 0.000 1.114 171 N CA -0.024 53.107 53.050 0.135 0.000 0.859 171 N CB 0.043 38.581 38.487 0.085 0.000 0.982 171 N HN 0.172 nan 8.380 nan 0.000 0.493 172 D N 1.824 122.331 120.400 0.180 0.000 2.363 172 D HA -0.051 4.602 4.640 0.020 0.000 0.263 172 D C 1.003 177.412 176.300 0.182 0.000 1.258 172 D CA 0.143 54.246 54.000 0.171 0.000 0.907 172 D CB 1.481 42.397 40.800 0.195 0.000 1.107 172 D HN 0.121 nan 8.370 nan 0.000 0.495 173 Q N 3.467 123.339 119.800 0.121 0.000 2.135 173 Q HA -0.215 4.137 4.340 0.020 0.000 0.204 173 Q C 1.623 177.694 176.000 0.119 0.000 0.981 173 Q CA 1.976 57.837 55.803 0.096 0.000 0.856 173 Q CB -0.052 28.722 28.738 0.061 0.000 0.902 173 Q HN 0.677 nan 8.270 nan 0.000 0.425 174 E N -0.866 119.407 120.200 0.122 0.000 2.085 174 E HA -0.239 4.123 4.350 0.020 0.000 0.194 174 E C 1.851 178.563 176.600 0.187 0.000 0.994 174 E CA 1.532 58.007 56.400 0.124 0.000 0.801 174 E CB 0.004 29.766 29.700 0.103 0.000 0.743 174 E HN 0.356 nan 8.360 nan 0.000 0.453 175 Q N -0.046 119.912 119.800 0.262 0.000 2.123 175 Q HA -0.070 4.282 4.340 0.020 0.000 0.199 175 Q C 2.422 178.736 176.000 0.523 0.000 0.966 175 Q CA 1.042 57.088 55.803 0.405 0.000 0.845 175 Q CB -0.120 28.898 28.738 0.466 0.000 0.907 175 Q HN 0.475 nan 8.270 nan 0.000 0.439 176 I N 1.400 122.226 120.570 0.427 0.000 2.226 176 I HA -0.283 3.899 4.170 0.020 0.000 0.245 176 I C 1.659 177.892 176.117 0.192 0.000 1.100 176 I CA 0.865 62.337 61.300 0.287 0.000 1.374 176 I CB -0.333 37.648 38.000 -0.032 0.000 1.057 176 I HN 0.158 nan 8.210 nan 0.000 0.413 177 N N 1.257 120.041 118.700 0.141 0.000 2.120 177 N HA -0.168 4.585 4.740 0.020 0.000 0.188 177 N C 1.746 177.321 175.510 0.108 0.000 1.024 177 N CA 1.306 54.414 53.050 0.097 0.000 0.852 177 N CB -0.239 38.295 38.487 0.080 0.000 1.003 177 N HN 0.349 nan 8.380 nan 0.000 0.424 178 K N -0.444 120.041 120.400 0.142 0.000 2.097 178 K HA -0.058 4.275 4.320 0.020 0.000 0.205 178 K C 1.734 178.233 176.600 -0.168 0.000 1.050 178 K CA 0.588 56.941 56.287 0.110 0.000 0.938 178 K CB -0.199 32.472 32.500 0.286 0.000 0.718 178 K HN 0.088 nan 8.250 nan 0.000 0.442 179 F N 1.435 121.085 119.950 -0.500 0.000 2.146 179 F HA -0.173 4.366 4.527 0.020 0.000 0.298 179 F C 1.807 177.513 175.800 -0.157 0.000 1.096 179 F CA 0.927 58.480 58.000 -0.744 0.000 1.275 179 F CB -0.394 38.556 39.000 -0.083 0.000 1.008 179 F HN -0.293 nan 8.300 nan 0.000 0.480 180 V N 0.119 119.972 119.914 -0.102 0.000 2.332 180 V HA -0.356 3.776 4.120 0.020 0.000 0.248 180 V C 2.404 178.454 176.094 -0.073 0.000 1.055 180 V CA 2.417 64.638 62.300 -0.132 0.000 1.038 180 V CB -1.118 30.688 31.823 -0.029 0.000 0.651 180 V HN 0.510 nan 8.190 nan 0.000 0.450 181 H N -0.888 118.139 119.070 -0.072 0.000 2.321 181 H HA -0.262 4.306 4.556 0.021 0.000 0.300 181 H C 2.146 177.454 175.328 -0.033 0.000 1.087 181 H CA 2.392 58.426 56.048 -0.023 0.000 1.319 181 H CB -0.414 29.360 29.762 0.020 0.000 1.379 181 H HN 0.515 nan 8.280 nan 0.000 0.501 182 Y N 0.555 120.754 120.300 -0.169 0.000 2.151 182 Y HA -0.246 4.316 4.550 0.020 0.000 0.284 182 Y C 2.110 177.857 175.900 -0.255 0.000 1.166 182 Y CA 1.980 59.962 58.100 -0.196 0.000 1.163 182 Y CB -0.328 38.016 38.460 -0.193 0.000 0.974 182 Y HN 0.237 nan 8.280 nan 0.000 0.511 183 L N 0.041 121.138 121.223 -0.210 0.000 2.093 183 L HA -0.221 4.131 4.340 0.020 0.000 0.208 183 L C 2.203 178.985 176.870 -0.147 0.000 1.085 183 L CA 1.128 55.867 54.840 -0.169 0.000 0.755 183 L CB -0.652 41.268 42.059 -0.230 0.000 0.904 183 L HN 0.272 nan 8.230 nan 0.000 0.435 184 N N 0.277 118.850 118.700 -0.212 0.000 2.223 184 N HA -0.182 4.570 4.740 0.020 0.000 0.185 184 N C 1.647 176.873 175.510 -0.474 0.000 1.016 184 N CA 1.096 54.004 53.050 -0.236 0.000 0.863 184 N CB -0.021 38.399 38.487 -0.111 0.000 0.983 184 N HN 0.437 nan 8.380 nan 0.000 0.429 185 E N -0.632 119.266 120.200 -0.503 0.000 2.338 185 E HA -0.052 4.310 4.350 0.020 0.000 0.197 185 E C 0.861 177.141 176.600 -0.533 0.000 1.007 185 E CA 0.873 56.961 56.400 -0.520 0.000 0.849 185 E CB 0.195 29.625 29.700 -0.451 0.000 0.774 185 E HN 0.327 nan 8.360 nan 0.000 0.506 186 T N -0.711 113.494 114.554 -0.582 0.000 3.000 186 T HA 0.101 4.463 4.350 0.020 0.000 0.248 186 T C 0.249 174.412 174.700 -0.894 0.000 1.034 186 T CA 0.143 61.772 62.100 -0.785 0.000 1.060 186 T CB 0.265 68.527 68.868 -1.010 0.000 0.983 186 T HN -0.017 nan 8.240 nan 0.000 0.482 187 F N 2.226 121.988 119.950 -0.313 0.000 2.739 187 F HA 0.374 4.913 4.527 0.019 0.000 0.345 187 F C 0.261 175.925 175.800 -0.227 0.000 1.373 187 F CA -1.358 56.498 58.000 -0.240 0.000 1.160 187 F CB -0.008 38.852 39.000 -0.232 0.000 1.137 187 F HN -0.028 nan 8.300 nan 0.000 0.524 188 D N 1.222 121.528 120.400 -0.158 0.000 2.751 188 D HA -0.324 4.328 4.640 0.020 0.000 0.233 188 D C 0.092 176.400 176.300 0.014 0.000 1.149 188 D CA 1.200 55.165 54.000 -0.057 0.000 0.682 188 D CB -1.704 39.178 40.800 0.136 0.000 1.068 188 D HN 0.768 nan 8.370 nan 0.000 0.429 189 H N -3.285 115.778 119.070 -0.010 0.000 2.741 189 H HA -0.182 4.387 4.556 0.020 0.000 0.305 189 H C 1.001 176.322 175.328 -0.011 0.000 1.169 189 H CA 1.055 57.091 56.048 -0.020 0.000 1.144 189 H CB -1.519 28.239 29.762 -0.007 0.000 1.397 189 H HN 0.374 nan 8.280 nan 0.000 0.409 190 A N -0.018 122.799 122.820 -0.005 0.000 2.535 190 A HA 0.414 4.746 4.320 0.020 0.000 0.273 190 A C 0.305 177.810 177.584 -0.131 0.000 1.267 190 A CA -0.237 51.735 52.037 -0.108 0.000 0.940 190 A CB 0.370 19.122 19.000 -0.414 0.000 1.101 190 A HN 0.209 nan 8.150 nan 0.000 0.521 191 I N 0.371 120.896 120.570 -0.076 0.000 2.312 191 I HA 0.218 4.400 4.170 0.020 0.000 0.290 191 I C 0.972 177.074 176.117 -0.024 0.000 1.008 191 I CA -0.103 61.153 61.300 -0.074 0.000 1.226 191 I CB 1.571 39.514 38.000 -0.096 0.000 1.371 191 I HN 0.350 nan 8.210 nan 0.000 0.468 192 D N 3.715 124.116 120.400 0.002 0.000 2.091 192 D HA -0.009 4.643 4.640 0.020 0.000 0.199 192 D C 0.221 176.533 176.300 0.020 0.000 0.980 192 D CA 1.225 55.233 54.000 0.014 0.000 0.831 192 D CB 0.471 41.276 40.800 0.009 0.000 0.987 192 D HN 0.579 nan 8.370 nan 0.000 0.460 193 S N -1.798 113.939 115.700 0.062 0.000 2.627 193 S HA 0.405 4.887 4.470 0.020 0.000 0.268 193 S C -1.231 173.428 174.600 0.099 0.000 1.130 193 S CA -1.068 57.167 58.200 0.059 0.000 0.819 193 S CB 0.643 63.866 63.200 0.038 0.000 1.100 193 S HN 0.093 nan 8.310 nan 0.000 0.465 194 I N 1.047 121.630 120.570 0.021 0.000 2.436 194 I HA 0.495 4.677 4.170 0.020 0.000 0.289 194 I C -0.338 175.750 176.117 -0.048 0.000 1.010 194 I CA -0.279 60.993 61.300 -0.047 0.000 1.098 194 I CB 1.908 39.772 38.000 -0.226 0.000 1.266 194 I HN 0.804 nan 8.210 nan 0.000 0.434 195 E N 5.928 126.138 120.200 0.017 0.000 2.166 195 E HA 0.451 4.813 4.350 0.020 0.000 0.275 195 E C -1.391 175.237 176.600 0.047 0.000 0.941 195 E CA -0.710 55.722 56.400 0.054 0.000 0.784 195 E CB 2.021 31.826 29.700 0.176 0.000 1.115 195 E HN 0.330 nan 8.360 nan 0.000 0.399 196 V N 5.316 125.263 119.914 0.054 0.000 2.432 196 V HA 0.231 4.363 4.120 0.020 0.000 0.271 196 V C 0.281 176.471 176.094 0.161 0.000 1.046 196 V CA -0.326 62.071 62.300 0.162 0.000 0.945 196 V CB 0.594 32.509 31.823 0.154 0.000 0.992 196 V HN 0.512 nan 8.190 nan 0.000 0.471 197 V N 2.121 122.160 119.914 0.208 0.000 3.001 197 V HA 0.736 4.868 4.120 0.020 0.000 0.314 197 V C -0.170 175.996 176.094 0.121 0.000 1.099 197 V CA -0.618 61.764 62.300 0.136 0.000 0.989 197 V CB 2.307 34.205 31.823 0.125 0.000 1.040 197 V HN 0.612 nan 8.190 nan 0.000 0.434 198 S N 2.917 118.646 115.700 0.048 0.000 2.422 198 S HA 0.678 5.160 4.470 0.020 0.000 0.298 198 S C -0.366 174.188 174.600 -0.077 0.000 1.118 198 S CA -0.717 57.499 58.200 0.027 0.000 1.083 198 S CB 0.358 63.564 63.200 0.011 0.000 0.971 198 S HN 0.736 nan 8.310 nan 0.000 0.478 199 K N 2.231 122.558 120.400 -0.122 0.000 2.439 199 K HA 0.460 4.792 4.320 0.020 0.000 0.260 199 K C -0.792 175.634 176.600 -0.290 0.000 1.032 199 K CA -0.867 55.179 56.287 -0.401 0.000 0.882 199 K CB 1.732 33.638 32.500 -0.990 0.000 1.420 199 K HN 0.745 nan 8.250 nan 0.000 0.455 200 Q N -0.717 118.881 119.800 -0.336 0.000 2.394 200 Q HA 0.477 4.829 4.340 0.020 0.000 0.273 200 Q C -0.621 175.226 176.000 -0.255 0.000 1.089 200 Q CA -0.793 54.893 55.803 -0.195 0.000 0.812 200 Q CB 1.993 30.667 28.738 -0.108 0.000 1.353 200 Q HN 0.420 nan 8.270 nan 0.000 0.438 201 S N 1.333 116.976 115.700 -0.094 0.000 2.576 201 S HA 0.109 4.591 4.470 0.020 0.000 0.276 201 S C 0.823 175.465 174.600 0.071 0.000 1.339 201 S CA -0.615 57.606 58.200 0.035 0.000 1.039 201 S CB 0.315 63.681 63.200 0.277 0.000 0.902 201 S HN 0.770 nan 8.310 nan 0.000 0.516 202 I N 4.193 124.821 120.570 0.097 0.000 3.001 202 I HA 0.036 4.218 4.170 0.020 0.000 0.268 202 I C 0.315 176.539 176.117 0.178 0.000 1.267 202 I CA 0.236 61.584 61.300 0.080 0.000 1.472 202 I CB -0.054 37.942 38.000 -0.006 0.000 1.089 202 I HN 0.671 nan 8.210 nan 0.000 0.468 203 W N 4.002 125.347 121.300 0.075 0.000 2.290 203 W HA 0.392 5.064 4.660 0.020 0.000 0.408 203 W C 0.230 176.806 176.519 0.095 0.000 0.966 203 W CA 0.860 58.270 57.345 0.108 0.000 1.579 203 W CB -0.432 29.081 29.460 0.088 0.000 1.662 203 W HN 0.276 nan 8.180 nan 0.000 0.341 204 G N 4.010 112.746 108.800 -0.107 0.000 2.663 204 G HA2 -0.300 3.672 3.960 0.020 0.000 0.686 204 G HA3 -0.300 3.672 3.960 0.020 0.000 0.686 204 G C -2.075 172.864 174.900 0.064 0.000 1.288 204 G CA -0.953 44.109 45.100 -0.064 0.000 0.836 204 G HN 0.619 nan 8.290 nan 0.000 0.584 205 Y N 0.890 121.165 120.300 -0.042 0.000 2.353 205 Y HA 0.598 5.160 4.550 0.020 0.000 0.340 205 Y C 1.112 177.003 175.900 -0.015 0.000 0.972 205 Y CA 0.796 58.888 58.100 -0.012 0.000 1.157 205 Y CB 1.295 39.753 38.460 -0.004 0.000 1.157 205 Y HN 1.212 nan 8.280 nan 0.000 0.495 206 S N 3.533 119.032 115.700 -0.335 0.000 2.603 206 S HA 0.629 5.111 4.470 0.020 0.000 0.232 206 S C 0.666 175.030 174.600 -0.394 0.000 1.016 206 S CA 0.212 58.283 58.200 -0.215 0.000 0.976 206 S CB -0.074 63.059 63.200 -0.110 0.000 0.921 206 S HN 1.326 nan 8.310 nan 0.000 0.516 207 G N 0.177 108.392 108.800 -0.976 0.000 2.354 207 G HA2 0.152 4.125 3.960 0.020 0.000 0.582 207 G HA3 0.152 4.125 3.960 0.020 0.000 0.582 207 G C -1.370 173.213 174.900 -0.529 0.000 1.316 207 G CA -0.145 44.531 45.100 -0.708 0.000 0.995 207 G HN -0.041 nan 8.290 nan 0.000 0.573 208 D N 0.074 120.324 120.400 -0.250 0.000 2.325 208 D HA 0.163 4.815 4.640 0.020 0.000 0.225 208 D C 1.142 177.384 176.300 -0.098 0.000 1.096 208 D CA 0.947 54.864 54.000 -0.139 0.000 0.844 208 D CB 0.673 41.447 40.800 -0.044 0.000 0.925 208 D HN 0.476 nan 8.370 nan 0.000 0.513 209 T N 0.819 115.308 114.554 -0.108 0.000 2.729 209 T HA 0.141 4.503 4.350 0.020 0.000 0.296 209 T C 0.237 174.900 174.700 -0.062 0.000 0.928 209 T CA -0.423 61.635 62.100 -0.070 0.000 1.045 209 T CB 0.556 69.386 68.868 -0.063 0.000 0.902 209 T HN -0.139 nan 8.240 nan 0.000 0.500 210 K N 4.055 124.429 120.400 -0.043 0.000 2.090 210 K HA 0.602 4.934 4.320 0.020 0.000 0.250 210 K C -0.360 176.240 176.600 -0.000 0.000 1.004 210 K CA -0.753 55.517 56.287 -0.028 0.000 0.919 210 K CB 1.165 33.642 32.500 -0.038 0.000 1.045 210 K HN 0.524 nan 8.250 nan 0.000 0.471 211 L N 1.272 122.528 121.223 0.056 0.000 2.309 211 L HA 0.440 4.792 4.340 0.020 0.000 0.261 211 L C -2.460 174.475 176.870 0.108 0.000 1.021 211 L CA -2.553 52.312 54.840 0.043 0.000 0.823 211 L CB 2.040 44.096 42.059 -0.005 0.000 1.366 211 L HN 0.332 nan 8.230 nan 0.000 0.423 212 P HA 0.255 nan 4.420 nan 0.000 0.276 212 P C -1.285 175.962 177.300 -0.088 0.000 1.253 212 P CA 0.277 63.384 63.100 0.011 0.000 0.766 212 P CB 0.232 31.897 31.700 -0.058 0.000 0.845 213 F N 1.762 121.689 119.950 -0.039 0.000 2.538 213 F HA 0.516 5.055 4.527 0.020 0.000 0.325 213 F C -0.185 175.791 175.800 0.294 0.000 1.066 213 F CA -0.539 57.456 58.000 -0.008 0.000 0.946 213 F CB 1.441 40.378 39.000 -0.105 0.000 1.199 213 F HN 0.219 nan 8.300 nan 0.000 0.473 214 W N 2.937 124.350 121.300 0.188 0.000 2.314 214 W HA 0.391 5.063 4.660 0.020 0.000 0.310 214 W C -0.268 176.331 176.519 0.133 0.000 1.075 214 W CA -1.560 55.865 57.345 0.134 0.000 1.253 214 W CB 1.004 30.526 29.460 0.103 0.000 1.238 214 W HN 0.211 nan 8.180 nan 0.000 0.440 215 K N 4.714 125.246 120.400 0.219 0.000 2.267 215 K HA 0.426 4.759 4.320 0.020 0.000 0.282 215 K C -0.532 175.885 176.600 -0.305 0.000 1.078 215 K CA -0.195 55.977 56.287 -0.193 0.000 0.903 215 K CB 0.197 32.463 32.500 -0.390 0.000 1.111 215 K HN 0.433 nan 8.250 nan 0.000 0.475 216 I N 5.804 126.214 120.570 -0.267 0.000 2.328 216 I HA 0.182 4.364 4.170 0.020 0.000 0.287 216 I C -0.734 175.266 176.117 -0.195 0.000 1.012 216 I CA -0.988 60.225 61.300 -0.144 0.000 1.195 216 I CB 0.568 38.563 38.000 -0.009 0.000 1.350 216 I HN 0.511 nan 8.210 nan 0.000 0.464 217 Y N 5.489 125.755 120.300 -0.056 0.000 2.310 217 Y HA 0.458 5.020 4.550 0.020 0.000 0.326 217 Y C 0.480 176.327 175.900 -0.088 0.000 1.151 217 Y CA -0.635 57.431 58.100 -0.055 0.000 1.195 217 Y CB 1.479 39.894 38.460 -0.075 0.000 1.210 217 Y HN 0.356 nan 8.280 nan 0.000 0.483 218 V N -1.091 118.854 119.914 0.052 0.000 2.815 218 V HA 0.487 4.619 4.120 0.020 0.000 0.314 218 V C 0.524 176.582 176.094 -0.058 0.000 1.064 218 V CA -0.334 61.921 62.300 -0.075 0.000 0.952 218 V CB 1.496 33.199 31.823 -0.199 0.000 1.020 218 V HN 0.885 nan 8.190 nan 0.000 0.439 219 T N -0.942 113.560 114.554 -0.087 0.000 3.043 219 T HA 0.163 4.525 4.350 0.020 0.000 0.263 219 T C 0.379 175.119 174.700 0.068 0.000 1.094 219 T CA 1.258 63.359 62.100 0.001 0.000 1.127 219 T CB -0.523 68.377 68.868 0.053 0.000 0.905 219 T HN 1.221 nan 8.240 nan 0.000 0.490 220 Y N -1.834 118.435 120.300 -0.053 0.000 2.457 220 Y HA 0.692 5.254 4.550 0.020 0.000 0.343 220 Y C -2.795 173.024 175.900 -0.135 0.000 0.994 220 Y CA -3.301 54.739 58.100 -0.100 0.000 1.031 220 Y CB 0.974 39.399 38.460 -0.058 0.000 1.246 220 Y HN -0.257 nan 8.280 nan 0.000 0.449 221 P HA -0.204 nan 4.420 nan 0.000 0.215 221 P C 1.219 178.479 177.300 -0.065 0.000 1.153 221 P CA 2.398 65.360 63.100 -0.231 0.000 0.853 221 P CB 0.064 31.423 31.700 -0.568 0.000 0.788 222 H N -1.287 117.782 119.070 -0.001 0.000 2.489 222 H HA -0.089 4.479 4.556 0.020 0.000 0.295 222 H C 1.821 177.132 175.328 -0.028 0.000 1.082 222 H CA 1.300 57.367 56.048 0.031 0.000 1.295 222 H CB -0.510 29.323 29.762 0.118 0.000 1.380 222 H HN -0.106 nan 8.280 nan 0.000 0.548 223 M N -0.423 119.071 119.600 -0.177 0.000 2.460 223 M HA -0.059 4.433 4.480 0.020 0.000 0.263 223 M C 1.707 177.799 176.300 -0.347 0.000 1.071 223 M CA 0.601 55.713 55.300 -0.313 0.000 1.096 223 M CB -0.208 32.081 32.600 -0.519 0.000 1.408 223 M HN 0.213 nan 8.290 nan 0.000 0.463 224 V N 0.695 120.436 119.914 -0.288 0.000 2.343 224 V HA -0.302 3.830 4.120 0.020 0.000 0.247 224 V C 2.119 178.074 176.094 -0.231 0.000 1.051 224 V CA 1.832 63.987 62.300 -0.242 0.000 1.036 224 V CB -0.968 30.750 31.823 -0.176 0.000 0.654 224 V HN 0.479 nan 8.190 nan 0.000 0.451 225 N N 0.183 118.720 118.700 -0.271 0.000 2.069 225 N HA -0.159 4.594 4.740 0.020 0.000 0.191 225 N C 1.842 177.238 175.510 -0.190 0.000 1.031 225 N CA 1.290 54.199 53.050 -0.235 0.000 0.852 225 N CB -0.319 37.963 38.487 -0.342 0.000 1.018 225 N HN 0.425 nan 8.380 nan 0.000 0.423 226 K N 0.390 120.653 120.400 -0.228 0.000 2.057 226 K HA -0.046 4.286 4.320 0.020 0.000 0.206 226 K C 1.913 178.426 176.600 -0.146 0.000 1.050 226 K CA 0.345 56.583 56.287 -0.082 0.000 0.935 226 K CB -0.415 32.114 32.500 0.049 0.000 0.715 226 K HN 0.069 nan 8.250 nan 0.000 0.439 227 L N 1.666 122.610 121.223 -0.464 0.000 2.017 227 L HA -0.157 4.195 4.340 0.020 0.000 0.208 227 L C 2.492 179.317 176.870 -0.076 0.000 1.073 227 L CA 1.616 56.103 54.840 -0.588 0.000 0.745 227 L CB -0.569 41.167 42.059 -0.539 0.000 0.894 227 L HN 0.082 nan 8.230 nan 0.000 0.432 228 R N -1.453 119.026 120.500 -0.034 0.000 2.096 228 R HA -0.187 4.165 4.340 0.020 0.000 0.240 228 R C 2.082 178.430 176.300 0.079 0.000 1.139 228 R CA 2.169 58.304 56.100 0.059 0.000 0.952 228 R CB -0.390 29.904 30.300 -0.010 0.000 0.854 228 R HN 0.387 nan 8.270 nan 0.000 0.436 229 T N 0.319 114.888 114.554 0.026 0.000 2.746 229 T HA -0.133 4.229 4.350 0.020 0.000 0.267 229 T C 1.733 176.468 174.700 0.059 0.000 1.039 229 T CA 1.339 63.460 62.100 0.035 0.000 1.142 229 T CB -0.253 68.627 68.868 0.020 0.000 0.866 229 T HN 0.461 nan 8.240 nan 0.000 0.444 230 A N 0.823 123.689 122.820 0.077 0.000 1.877 230 A HA 0.009 4.342 4.320 0.020 0.000 0.216 230 A C 1.957 179.553 177.584 0.021 0.000 1.186 230 A CA 1.252 53.333 52.037 0.072 0.000 0.620 230 A CB -0.997 18.146 19.000 0.238 0.000 0.822 230 A HN 0.441 nan 8.150 nan 0.000 0.443 231 F N 0.388 120.376 119.950 0.063 0.000 2.161 231 F HA -0.140 4.399 4.527 0.019 0.000 0.300 231 F C 2.473 178.309 175.800 0.060 0.000 1.089 231 F CA 1.917 59.948 58.000 0.051 0.000 1.282 231 F CB -0.240 38.742 39.000 -0.029 0.000 1.010 231 F HN 0.353 nan 8.300 nan 0.000 0.485 232 E N -0.406 119.915 120.200 0.202 0.000 2.086 232 E HA -0.089 4.274 4.350 0.020 0.000 0.190 232 E C 1.543 178.180 176.600 0.062 0.000 0.975 232 E CA 1.110 57.578 56.400 0.113 0.000 0.813 232 E CB -0.006 29.732 29.700 0.062 0.000 0.768 232 E HN 0.429 nan 8.360 nan 0.000 0.457 233 R N -0.305 120.210 120.500 0.024 0.000 2.549 233 R HA 0.299 4.651 4.340 0.020 0.000 0.399 233 R C 0.658 176.876 176.300 -0.137 0.000 0.964 233 R CA -0.074 56.002 56.100 -0.041 0.000 1.173 233 R CB 0.442 30.721 30.300 -0.036 0.000 1.535 233 R HN -0.010 nan 8.270 nan 0.000 0.551 234 G N 0.071 108.814 108.800 -0.095 0.000 2.509 234 G HA2 0.217 4.189 3.960 0.020 0.000 0.269 234 G HA3 0.217 4.189 3.960 0.020 0.000 0.269 234 G C -0.693 174.072 174.900 -0.225 0.000 1.416 234 G CA -0.483 44.528 45.100 -0.149 0.000 1.052 234 G HN 0.306 nan 8.290 nan 0.000 0.542 235 H N 0.181 119.302 119.070 0.085 0.000 2.429 235 H HA 0.241 4.810 4.556 0.021 0.000 0.231 235 H C -0.448 174.988 175.328 0.180 0.000 1.416 235 H CA -0.370 55.747 56.048 0.116 0.000 1.443 235 H CB 0.376 30.190 29.762 0.087 0.000 1.591 235 H HN 0.082 nan 8.280 nan 0.000 0.507 236 L N 2.275 123.691 121.223 0.322 0.000 2.404 236 L HA 0.104 4.457 4.340 0.020 0.000 0.277 236 L C 1.152 178.271 176.870 0.414 0.000 1.184 236 L CA -0.150 54.950 54.840 0.434 0.000 1.013 236 L CB 0.215 42.453 42.059 0.299 0.000 1.318 236 L HN 0.321 nan 8.230 nan 0.000 0.435 237 S N 1.210 117.107 115.700 0.327 0.000 2.597 237 S HA 0.059 4.541 4.470 0.020 0.000 0.224 237 S C 0.320 174.908 174.600 -0.020 0.000 0.955 237 S CA -0.565 57.727 58.200 0.152 0.000 0.933 237 S CB -0.258 63.005 63.200 0.105 0.000 0.788 237 S HN 0.407 nan 8.310 nan 0.000 0.488 238 F N 3.844 123.597 119.950 -0.328 0.000 2.590 238 F HA 0.158 4.698 4.527 0.020 0.000 0.389 238 F C 0.585 176.044 175.800 -0.568 0.000 1.049 238 F CA 0.334 58.001 58.000 -0.555 0.000 1.199 238 F CB -0.342 38.211 39.000 -0.745 0.000 1.058 238 F HN 0.192 nan 8.300 nan 0.000 0.556 239 N N 2.651 120.674 118.700 -1.129 0.000 2.753 239 N HA -0.274 4.479 4.740 0.020 0.000 0.251 239 N C 0.316 175.457 175.510 -0.616 0.000 1.097 239 N CA 1.346 53.724 53.050 -1.119 0.000 0.786 239 N CB -1.615 35.683 38.487 -1.982 0.000 1.137 239 N HN 0.654 nan 8.380 nan 0.000 0.566 240 S N -2.724 112.778 115.700 -0.330 0.000 3.614 240 S HA -0.221 4.261 4.470 0.020 0.000 0.360 240 S C 0.917 175.503 174.600 -0.023 0.000 1.023 240 S CA 0.941 59.066 58.200 -0.126 0.000 1.114 240 S CB -1.104 62.030 63.200 -0.110 0.000 0.907 240 S HN 0.503 nan 8.310 nan 0.000 0.470 241 W N -0.719 120.439 121.300 -0.237 0.000 2.588 241 W HA 0.389 5.061 4.660 0.020 0.000 0.277 241 W C 1.331 177.397 176.519 -0.755 0.000 1.221 241 W CA 0.299 57.314 57.345 -0.549 0.000 1.355 241 W CB -0.419 28.655 29.460 -0.643 0.000 1.083 241 W HN 0.556 nan 8.180 nan 0.000 0.581 242 F N -0.357 119.745 119.950 0.253 0.000 2.856 242 F HA 0.123 4.663 4.527 0.021 0.000 0.338 242 F C 0.954 176.880 175.800 0.210 0.000 1.100 242 F CA -0.300 57.851 58.000 0.251 0.000 1.150 242 F CB -0.569 38.689 39.000 0.430 0.000 1.101 242 F HN -0.374 nan 8.300 nan 0.000 0.548 243 S N 1.100 116.976 115.700 0.294 0.000 2.494 243 S HA 0.631 5.113 4.470 0.020 0.000 0.312 243 S C -0.159 174.523 174.600 0.136 0.000 1.121 243 S CA 0.429 58.760 58.200 0.219 0.000 1.068 243 S CB -0.443 62.845 63.200 0.147 0.000 1.141 243 S HN 0.445 nan 8.310 nan 0.000 0.527 244 N N 0.702 119.490 118.700 0.146 0.000 4.091 244 N HA 0.557 5.309 4.740 0.020 0.000 0.196 244 N C -0.184 175.420 175.510 0.157 0.000 1.048 244 N CA -0.709 52.466 53.050 0.209 0.000 1.120 244 N CB 0.451 39.101 38.487 0.273 0.000 1.637 244 N HN 0.887 nan 8.380 nan 0.000 0.727 245 G N -1.063 107.833 108.800 0.159 0.000 3.264 245 G HA2 0.891 4.863 3.960 0.020 0.000 0.168 245 G HA3 0.891 4.863 3.960 0.020 0.000 0.168 245 G C -0.204 174.837 174.900 0.236 0.000 1.145 245 G CA 0.432 45.670 45.100 0.230 0.000 0.855 245 G HN 1.301 nan 8.290 nan 0.000 0.629 246 T N -1.081 113.625 114.554 0.253 0.000 2.889 246 T HA 0.535 4.897 4.350 0.020 0.000 0.315 246 T C -0.810 173.962 174.700 0.121 0.000 1.291 246 T CA -0.331 61.895 62.100 0.210 0.000 1.028 246 T CB 1.320 70.390 68.868 0.336 0.000 1.235 246 T HN 0.448 nan 8.240 nan 0.000 0.491 247 T N 3.501 118.095 114.554 0.066 0.000 2.870 247 T HA 0.467 4.829 4.350 0.020 0.000 0.300 247 T C 0.600 175.295 174.700 -0.008 0.000 0.989 247 T CA -0.135 61.944 62.100 -0.035 0.000 1.139 247 T CB 0.430 69.238 68.868 -0.100 0.000 0.920 247 T HN 0.810 nan 8.240 nan 0.000 0.537 248 T N 0.943 115.433 114.554 -0.107 0.000 2.952 248 T HA 0.710 5.072 4.350 0.020 0.000 0.286 248 T C -1.056 173.550 174.700 -0.157 0.000 1.024 248 T CA -0.784 61.312 62.100 -0.005 0.000 1.029 248 T CB 0.909 69.773 68.868 -0.006 0.000 1.094 248 T HN 0.501 nan 8.240 nan 0.000 0.515 249 Y N -0.950 119.417 120.300 0.113 0.000 2.545 249 Y HA 0.466 5.029 4.550 0.021 0.000 0.348 249 Y C -0.221 175.801 175.900 0.203 0.000 1.002 249 Y CA -0.781 57.403 58.100 0.139 0.000 1.039 249 Y CB 1.732 40.273 38.460 0.135 0.000 1.271 249 Y HN 0.800 nan 8.280 nan 0.000 0.467 250 D N 1.092 121.699 120.400 0.345 0.000 2.718 250 D HA -0.206 4.446 4.640 0.020 0.000 0.242 250 D C -0.965 175.575 176.300 0.400 0.000 1.123 250 D CA 0.443 54.730 54.000 0.478 0.000 0.690 250 D CB -0.932 40.210 40.800 0.570 0.000 1.059 250 D HN 0.420 nan 8.370 nan 0.000 0.429 251 N N 1.166 120.049 118.700 0.304 0.000 2.405 251 N HA 0.463 5.215 4.740 0.020 0.000 0.260 251 N C -0.412 175.137 175.510 0.065 0.000 1.152 251 N CA 0.125 53.258 53.050 0.139 0.000 0.948 251 N CB 0.352 38.891 38.487 0.086 0.000 1.111 251 N HN 0.569 nan 8.380 nan 0.000 0.485 252 I N 1.401 121.928 120.570 -0.072 0.000 2.828 252 I HA 0.400 4.582 4.170 0.020 0.000 0.295 252 I C -0.839 175.205 176.117 -0.121 0.000 1.459 252 I CA -0.869 60.295 61.300 -0.227 0.000 1.015 252 I CB 1.636 39.260 38.000 -0.626 0.000 1.345 252 I HN 0.550 nan 8.210 nan 0.000 0.449 253 A N 4.769 127.542 122.820 -0.079 0.000 2.498 253 A HA 0.059 4.391 4.320 0.020 0.000 0.239 253 A C 0.400 178.001 177.584 0.029 0.000 1.068 253 A CA 0.381 52.422 52.037 0.007 0.000 0.766 253 A CB -0.040 18.980 19.000 0.033 0.000 1.003 253 A HN 0.880 nan 8.150 nan 0.000 0.497 254 Y N 2.562 122.843 120.300 -0.031 0.000 2.069 254 Y HA -0.267 4.295 4.550 0.019 0.000 0.278 254 Y C 2.454 178.346 175.900 -0.014 0.000 1.175 254 Y CA 2.984 61.080 58.100 -0.006 0.000 1.134 254 Y CB -0.832 37.648 38.460 0.034 0.000 0.965 254 Y HN 0.698 nan 8.280 nan 0.000 0.498 255 T N 1.442 115.905 114.554 -0.152 0.000 2.684 255 T HA -0.233 4.129 4.350 0.020 0.000 0.267 255 T C 2.077 176.619 174.700 -0.263 0.000 1.036 255 T CA 1.714 63.636 62.100 -0.297 0.000 1.148 255 T CB -0.650 68.132 68.868 -0.142 0.000 0.863 255 T HN 0.388 nan 8.240 nan 0.000 0.436 256 L N 0.497 121.631 121.223 -0.150 0.000 2.141 256 L HA -0.063 4.289 4.340 0.020 0.000 0.209 256 L C 2.787 179.553 176.870 -0.173 0.000 1.094 256 L CA 1.168 55.922 54.840 -0.145 0.000 0.763 256 L CB -0.244 41.758 42.059 -0.095 0.000 0.908 256 L HN 0.157 nan 8.230 nan 0.000 0.437 257 R N 0.404 120.796 120.500 -0.181 0.000 2.091 257 R HA -0.229 4.123 4.340 0.020 0.000 0.238 257 R C 2.178 178.388 176.300 -0.151 0.000 1.136 257 R CA 1.775 57.808 56.100 -0.113 0.000 0.959 257 R CB -0.686 29.572 30.300 -0.069 0.000 0.856 257 R HN 0.369 nan 8.270 nan 0.000 0.437 258 L N -0.465 120.490 121.223 -0.446 0.000 2.027 258 L HA -0.109 4.244 4.340 0.020 0.000 0.206 258 L C 2.224 178.835 176.870 -0.431 0.000 1.074 258 L CA 1.612 55.912 54.840 -0.900 0.000 0.745 258 L CB -0.156 41.257 42.059 -1.077 0.000 0.898 258 L HN 0.335 nan 8.230 nan 0.000 0.433 259 M N -1.383 118.082 119.600 -0.225 0.000 2.080 259 M HA -0.240 4.253 4.480 0.020 0.000 0.260 259 M C 2.142 178.399 176.300 -0.071 0.000 1.068 259 M CA 1.735 56.982 55.300 -0.088 0.000 1.109 259 M CB -0.422 32.146 32.600 -0.053 0.000 1.342 259 M HN 0.172 nan 8.290 nan 0.000 0.405 260 V N 0.525 120.407 119.914 -0.053 0.000 2.261 260 V HA -0.286 3.846 4.120 0.020 0.000 0.246 260 V C 1.653 177.783 176.094 0.060 0.000 1.047 260 V CA 2.081 64.397 62.300 0.026 0.000 1.015 260 V CB -0.717 31.157 31.823 0.084 0.000 0.642 260 V HN 0.407 nan 8.190 nan 0.000 0.446 261 D N -0.978 119.467 120.400 0.074 0.000 2.219 261 D HA -0.102 4.550 4.640 0.020 0.000 0.205 261 D C 1.831 178.195 176.300 0.107 0.000 0.970 261 D CA 1.174 55.272 54.000 0.163 0.000 0.851 261 D CB -0.291 40.716 40.800 0.346 0.000 0.943 261 D HN 0.460 nan 8.370 nan 0.000 0.488 262 C N -0.511 118.789 119.300 0.000 0.000 2.697 262 C HA 0.427 4.899 4.460 0.020 0.000 0.267 262 C C 1.686 176.656 174.990 -0.033 0.000 1.278 262 C CA 0.210 59.226 59.018 -0.004 0.000 1.708 262 C CB -0.700 26.998 27.740 -0.071 0.000 1.860 262 C HN 0.511 nan 8.230 nan 0.000 0.589 263 G N 1.526 110.314 108.800 -0.020 0.000 2.198 263 G HA2 -0.247 3.725 3.960 0.020 0.000 0.257 263 G HA3 -0.247 3.725 3.960 0.020 0.000 0.257 263 G C -0.183 174.683 174.900 -0.056 0.000 1.042 263 G CA -0.154 44.931 45.100 -0.026 0.000 0.791 263 G HN 0.587 nan 8.290 nan 0.000 0.502 264 I N 0.853 121.381 120.570 -0.070 0.000 2.315 264 I HA 0.475 4.658 4.170 0.020 0.000 0.291 264 I C 1.077 177.169 176.117 -0.042 0.000 1.006 264 I CA -1.060 60.189 61.300 -0.085 0.000 1.265 264 I CB 1.324 39.251 38.000 -0.123 0.000 1.387 264 I HN 0.168 nan 8.210 nan 0.000 0.475 265 V N 3.173 123.069 119.914 -0.031 0.000 3.302 265 V HA 0.778 4.910 4.120 0.020 0.000 0.316 265 V C 0.687 176.771 176.094 -0.016 0.000 1.111 265 V CA -0.715 61.574 62.300 -0.019 0.000 1.029 265 V CB 1.075 32.900 31.823 0.003 0.000 1.170 265 V HN 0.732 nan 8.190 nan 0.000 0.452 266 G N 0.309 109.098 108.800 -0.019 0.000 2.491 266 G HA2 0.450 4.422 3.960 0.020 0.000 0.242 266 G HA3 0.450 4.422 3.960 0.020 0.000 0.242 266 G C 0.285 175.207 174.900 0.036 0.000 1.266 266 G CA -0.234 44.868 45.100 0.003 0.000 0.844 266 G HN 1.157 nan 8.290 nan 0.000 0.571 267 M N 0.285 119.904 119.600 0.032 0.000 2.461 267 M HA -0.172 4.320 4.480 0.020 0.000 0.203 267 M C 0.738 177.004 176.300 -0.056 0.000 0.428 267 M CA 0.992 56.289 55.300 -0.005 0.000 0.509 267 M CB -2.989 29.660 32.600 0.082 0.000 1.851 267 M HN 0.884 nan 8.290 nan 0.000 0.834 268 S N -1.854 113.794 115.700 -0.087 0.000 2.718 268 S HA 0.751 5.233 4.470 0.020 0.000 0.300 268 S C -0.555 173.934 174.600 -0.185 0.000 1.117 268 S CA -0.749 57.424 58.200 -0.045 0.000 1.002 268 S CB 1.783 64.972 63.200 -0.017 0.000 1.092 268 S HN 0.382 nan 8.310 nan 0.000 0.542 269 W N 0.354 121.614 121.300 -0.067 0.000 2.438 269 W HA 0.692 5.365 4.660 0.022 0.000 0.324 269 W C -0.380 175.992 176.519 -0.245 0.000 1.119 269 W CA -0.641 56.639 57.345 -0.108 0.000 1.221 269 W CB 0.918 30.464 29.460 0.143 0.000 1.253 269 W HN 0.501 nan 8.180 nan 0.000 0.555 270 I N 2.307 122.745 120.570 -0.219 0.000 2.545 270 I HA 0.342 4.525 4.170 0.020 0.000 0.292 270 I C -0.260 175.798 176.117 -0.099 0.000 1.040 270 I CA -0.782 60.314 61.300 -0.340 0.000 1.068 270 I CB 2.223 39.860 38.000 -0.606 0.000 1.251 270 I HN 0.155 nan 8.210 nan 0.000 0.424 271 T N 6.652 121.137 114.554 -0.114 0.000 2.794 271 T HA 0.558 4.920 4.350 0.020 0.000 0.280 271 T C -0.304 174.424 174.700 0.047 0.000 0.987 271 T CA -0.479 61.662 62.100 0.069 0.000 0.993 271 T CB 0.853 69.794 68.868 0.122 0.000 0.939 271 T HN 0.261 nan 8.240 nan 0.000 0.449 272 L N 5.348 126.642 121.223 0.119 0.000 2.264 272 L HA 0.391 4.743 4.340 0.020 0.000 0.287 272 L C -2.441 174.569 176.870 0.233 0.000 1.039 272 L CA -2.332 52.569 54.840 0.102 0.000 0.829 272 L CB 0.642 42.628 42.059 -0.123 0.000 1.211 272 L HN 0.276 nan 8.230 nan 0.000 0.427 273 P HA 0.039 nan 4.420 nan 0.000 0.268 273 P C -0.688 176.779 177.300 0.277 0.000 1.205 273 P CA -0.495 62.728 63.100 0.204 0.000 0.771 273 P CB 0.419 32.183 31.700 0.107 0.000 0.858 274 K N 1.967 122.493 120.400 0.209 0.000 2.485 274 K HA 0.240 4.572 4.320 0.020 0.000 0.277 274 K C 1.025 177.590 176.600 -0.059 0.000 0.990 274 K CA 0.245 56.578 56.287 0.076 0.000 0.994 274 K CB -0.780 31.736 32.500 0.026 0.000 0.906 274 K HN 0.717 nan 8.250 nan 0.000 0.488 275 G N 2.200 110.866 108.800 -0.223 0.000 2.234 275 G HA2 -0.259 3.713 3.960 0.020 0.000 0.260 275 G HA3 -0.259 3.713 3.960 0.020 0.000 0.260 275 G C 0.727 175.540 174.900 -0.145 0.000 0.987 275 G CA 0.335 45.326 45.100 -0.181 0.000 0.625 275 G HN 0.605 nan 8.290 nan 0.000 0.532 276 K N -0.462 119.883 120.400 -0.091 0.000 2.353 276 K HA 0.297 4.630 4.320 0.020 0.000 0.195 276 K C 0.709 177.360 176.600 0.087 0.000 1.031 276 K CA 0.687 56.983 56.287 0.016 0.000 1.079 276 K CB 0.331 32.879 32.500 0.079 0.000 0.857 276 K HN 0.748 nan 8.250 nan 0.000 0.535 277 Y N -0.908 119.409 120.300 0.027 0.000 2.659 277 Y HA 0.661 5.223 4.550 0.021 0.000 0.333 277 Y C -0.096 175.825 175.900 0.036 0.000 1.064 277 Y CA -1.607 56.515 58.100 0.037 0.000 1.141 277 Y CB 0.997 39.489 38.460 0.053 0.000 1.316 277 Y HN -0.107 nan 8.280 nan 0.000 0.509 278 S N 1.486 117.302 115.700 0.193 0.000 2.595 278 S HA 0.646 5.128 4.470 0.020 0.000 0.281 278 S C -0.975 173.750 174.600 0.208 0.000 1.117 278 S CA -1.061 57.194 58.200 0.092 0.000 0.873 278 S CB 1.570 64.796 63.200 0.042 0.000 1.108 278 S HN 0.631 nan 8.310 nan 0.000 0.477 279 M N 2.208 121.902 119.600 0.157 0.000 2.235 279 M HA 0.393 4.885 4.480 0.020 0.000 0.351 279 M C -0.117 176.234 176.300 0.085 0.000 1.178 279 M CA -0.941 54.451 55.300 0.153 0.000 1.143 279 M CB -0.094 32.594 32.600 0.147 0.000 1.530 279 M HN 0.611 nan 8.290 nan 0.000 0.461 280 I N 2.839 123.444 120.570 0.059 0.000 2.556 280 I HA 0.012 4.194 4.170 0.020 0.000 0.284 280 I C 0.542 176.675 176.117 0.026 0.000 1.114 280 I CA -0.202 61.117 61.300 0.032 0.000 1.418 280 I CB -0.149 37.858 38.000 0.012 0.000 1.394 280 I HN 0.573 nan 8.210 nan 0.000 0.552 281 E N 8.365 128.578 120.200 0.022 0.000 2.415 281 E HA 0.060 4.422 4.350 0.020 0.000 0.262 281 E C -1.598 175.006 176.600 0.008 0.000 1.038 281 E CA -1.166 55.243 56.400 0.016 0.000 0.921 281 E CB -0.176 29.532 29.700 0.013 0.000 0.950 281 E HN 0.340 nan 8.360 nan 0.000 0.438 282 P HA -0.184 nan 4.420 nan 0.000 0.216 282 P C 0.234 177.531 177.300 -0.005 0.000 1.154 282 P CA 1.270 64.369 63.100 -0.002 0.000 0.865 282 P CB 0.211 31.910 31.700 -0.002 0.000 0.789 283 N N -1.386 117.312 118.700 -0.003 0.000 2.398 283 N HA 0.023 4.775 4.740 0.020 0.000 0.188 283 N C 0.688 176.195 175.510 -0.005 0.000 1.122 283 N CA 0.546 53.592 53.050 -0.005 0.000 0.866 283 N CB -0.565 37.920 38.487 -0.005 0.000 0.970 283 N HN 0.367 nan 8.380 nan 0.000 0.462 284 N N -0.313 118.385 118.700 -0.002 0.000 2.184 284 N HA 0.131 4.883 4.740 0.020 0.000 0.206 284 N C -0.119 175.390 175.510 -0.002 0.000 1.151 284 N CA -0.313 52.737 53.050 -0.001 0.000 0.878 284 N CB 0.897 39.387 38.487 0.005 0.000 1.014 284 N HN -0.072 nan 8.380 nan 0.000 0.512 285 R N 1.366 121.863 120.500 -0.005 0.000 2.583 285 R HA -0.003 4.349 4.340 0.020 0.000 0.274 285 R C 1.015 177.311 176.300 -0.005 0.000 0.998 285 R CA 0.246 56.341 56.100 -0.008 0.000 1.081 285 R CB 0.686 30.977 30.300 -0.014 0.000 0.940 285 R HN 0.081 nan 8.270 nan 0.000 0.413 286 V N -1.246 118.669 119.914 0.002 0.000 3.432 286 V HA 0.159 4.291 4.120 0.020 0.000 0.298 286 V C 0.308 176.419 176.094 0.027 0.000 1.464 286 V CA 0.273 62.580 62.300 0.012 0.000 1.046 286 V CB 0.582 32.417 31.823 0.021 0.000 0.887 286 V HN 0.637 nan 8.190 nan 0.000 0.441 287 S N 0.643 116.359 115.700 0.027 0.000 2.715 287 S HA 0.627 5.109 4.470 0.020 0.000 0.307 287 S C 0.447 175.056 174.600 0.017 0.000 1.119 287 S CA 0.250 58.482 58.200 0.053 0.000 0.937 287 S CB 1.775 65.038 63.200 0.105 0.000 1.150 287 S HN 0.854 nan 8.310 nan 0.000 0.521 288 S N -0.772 114.938 115.700 0.017 0.000 2.574 288 S HA 0.318 4.800 4.470 0.020 0.000 0.242 288 S C 0.246 174.837 174.600 -0.015 0.000 0.982 288 S CA -0.593 57.599 58.200 -0.013 0.000 0.977 288 S CB -1.305 61.879 63.200 -0.028 0.000 0.814 288 S HN 0.654 nan 8.310 nan 0.000 0.464 289 C N 2.354 121.655 119.300 0.001 0.000 2.539 289 C HA 0.286 4.758 4.460 0.020 0.000 0.392 289 C C 2.100 177.048 174.990 -0.070 0.000 1.269 289 C CA -0.471 58.536 59.018 -0.018 0.000 2.250 289 C CB 0.517 28.256 27.740 -0.001 0.000 2.584 289 C HN 0.610 nan 8.230 nan 0.000 0.589 290 Q N 0.593 120.339 119.800 -0.090 0.000 2.096 290 Q HA -0.081 4.271 4.340 0.020 0.000 0.204 290 Q C -0.249 175.617 176.000 -0.224 0.000 0.982 290 Q CA 1.179 56.893 55.803 -0.149 0.000 0.850 290 Q CB -0.034 28.612 28.738 -0.153 0.000 0.901 290 Q HN 0.633 nan 8.270 nan 0.000 0.422 291 L N 0.977 122.058 121.223 -0.236 0.000 2.319 291 L HA 0.355 4.707 4.340 0.020 0.000 0.281 291 L C -0.638 176.107 176.870 -0.208 0.000 1.005 291 L CA -0.347 54.323 54.840 -0.283 0.000 0.828 291 L CB 1.727 43.567 42.059 -0.366 0.000 1.227 291 L HN 0.001 nan 8.230 nan 0.000 0.415 292 E N 3.996 124.111 120.200 -0.142 0.000 2.182 292 E HA 0.577 4.939 4.350 0.020 0.000 0.258 292 E C -1.213 175.355 176.600 -0.053 0.000 0.879 292 E CA -0.581 55.755 56.400 -0.108 0.000 0.754 292 E CB 1.718 31.376 29.700 -0.069 0.000 1.162 292 E HN 0.411 nan 8.360 nan 0.000 0.419 293 V N 0.249 120.122 119.914 -0.068 0.000 3.167 293 V HA 0.792 4.924 4.120 0.020 0.000 0.310 293 V C -0.615 175.495 176.094 0.027 0.000 1.207 293 V CA -0.742 61.572 62.300 0.023 0.000 1.059 293 V CB 2.163 33.984 31.823 -0.003 0.000 1.079 293 V HN 0.465 nan 8.190 nan 0.000 0.446 294 S N 1.092 116.856 115.700 0.107 0.000 2.547 294 S HA 0.820 5.302 4.470 0.020 0.000 0.281 294 S C -0.935 173.754 174.600 0.149 0.000 1.118 294 S CA -0.416 57.845 58.200 0.102 0.000 0.947 294 S CB 1.459 64.713 63.200 0.090 0.000 1.053 294 S HN 0.982 nan 8.310 nan 0.000 0.482 295 I N 2.828 123.478 120.570 0.133 0.000 2.686 295 I HA 0.400 4.582 4.170 0.020 0.000 0.295 295 I C -0.730 175.467 176.117 0.133 0.000 1.114 295 I CA -0.695 60.690 61.300 0.142 0.000 1.038 295 I CB 1.659 39.741 38.000 0.136 0.000 1.238 295 I HN 0.591 nan 8.210 nan 0.000 0.420 296 N N 5.062 123.826 118.700 0.107 0.000 2.492 296 N HA -0.070 4.682 4.740 0.020 0.000 0.262 296 N C 0.723 176.287 175.510 0.090 0.000 1.202 296 N CA 0.204 53.321 53.050 0.111 0.000 0.926 296 N CB 0.849 39.358 38.487 0.036 0.000 1.078 296 N HN 0.708 nan 8.380 nan 0.000 0.454 297 Y N 4.076 124.446 120.300 0.117 0.000 2.298 297 Y HA -0.112 4.450 4.550 0.021 0.000 0.287 297 Y C 1.656 177.595 175.900 0.064 0.000 1.164 297 Y CA 1.138 59.294 58.100 0.093 0.000 1.229 297 Y CB -0.271 38.289 38.460 0.167 0.000 0.977 297 Y HN 0.518 nan 8.280 nan 0.000 0.538 298 R N 0.286 120.408 120.500 -0.630 0.000 2.280 298 R HA -0.017 4.336 4.340 0.020 0.000 0.207 298 R C 0.973 177.158 176.300 -0.192 0.000 1.043 298 R CA 0.921 56.733 56.100 -0.480 0.000 1.006 298 R CB -0.200 29.794 30.300 -0.510 0.000 0.885 298 R HN 0.386 nan 8.270 nan 0.000 0.467 299 N N 0.588 119.218 118.700 -0.117 0.000 2.322 299 N HA 0.029 4.781 4.740 0.020 0.000 0.181 299 N C 0.168 175.659 175.510 -0.033 0.000 1.088 299 N CA 0.044 53.062 53.050 -0.053 0.000 0.885 299 N CB 0.264 38.743 38.487 -0.014 0.000 1.013 299 N HN 0.085 nan 8.380 nan 0.000 0.472 300 L N -0.131 121.068 121.223 -0.041 0.000 2.452 300 L HA 0.425 4.777 4.340 0.020 0.000 0.267 300 L C 0.000 176.783 176.870 -0.146 0.000 1.188 300 L CA 0.039 54.835 54.840 -0.073 0.000 0.821 300 L CB 0.364 42.370 42.059 -0.089 0.000 1.102 300 L HN -0.129 nan 8.230 nan 0.000 0.470 301 I N 2.731 123.163 120.570 -0.229 0.000 2.355 301 I HA 0.538 4.720 4.170 0.020 0.000 0.288 301 I C 0.043 175.807 176.117 -0.587 0.000 0.999 301 I CA -0.641 60.425 61.300 -0.391 0.000 1.163 301 I CB 1.456 39.182 38.000 -0.457 0.000 1.316 301 I HN 0.899 nan 8.210 nan 0.000 0.454 302 A N 6.684 129.222 122.820 -0.469 0.000 2.294 302 A HA 0.405 4.737 4.320 0.020 0.000 0.316 302 A C -0.289 177.033 177.584 -0.437 0.000 1.359 302 A CA -0.492 51.292 52.037 -0.420 0.000 0.956 302 A CB -0.142 18.703 19.000 -0.259 0.000 1.155 302 A HN 0.644 nan 8.150 nan 0.000 0.544 303 H N 2.984 121.868 119.070 -0.310 0.000 2.690 303 H HA 0.212 4.780 4.556 0.020 0.000 0.314 303 H C -2.252 173.016 175.328 -0.099 0.000 1.069 303 H CA -1.409 54.445 56.048 -0.323 0.000 1.436 303 H CB 0.478 29.828 29.762 -0.687 0.000 1.462 303 H HN 0.440 nan 8.280 nan 0.000 0.511 304 P HA 0.004 nan 4.420 nan 0.000 0.267 304 P C -0.280 177.113 177.300 0.154 0.000 1.200 304 P CA -0.263 62.888 63.100 0.085 0.000 0.772 304 P CB 0.566 32.309 31.700 0.071 0.000 0.855 305 A N 3.066 125.969 122.820 0.140 0.000 2.981 305 A HA 0.197 4.529 4.320 0.020 0.000 0.280 305 A C 0.156 177.816 177.584 0.127 0.000 1.743 305 A CA 0.303 52.444 52.037 0.173 0.000 1.430 305 A CB -0.988 18.104 19.000 0.154 0.000 1.085 305 A HN 0.541 nan 8.150 nan 0.000 0.597 306 E N -0.209 120.063 120.200 0.121 0.000 2.390 306 E HA 0.540 4.902 4.350 0.020 0.000 0.277 306 E C 0.788 177.397 176.600 0.015 0.000 0.939 306 E CA -0.337 56.103 56.400 0.068 0.000 0.769 306 E CB 1.780 31.524 29.700 0.073 0.000 1.251 306 E HN 0.851 nan 8.360 nan 0.000 0.450 307 G N 2.365 111.147 108.800 -0.030 0.000 2.651 307 G HA2 -0.400 3.572 3.960 0.020 0.000 0.315 307 G HA3 -0.400 3.572 3.960 0.020 0.000 0.315 307 G C 0.508 175.228 174.900 -0.299 0.000 1.258 307 G CA 0.752 45.793 45.100 -0.098 0.000 1.002 307 G HN 0.734 nan 8.290 nan 0.000 0.551 308 D N 0.202 120.365 120.400 -0.395 0.000 2.309 308 D HA -0.037 4.615 4.640 0.020 0.000 0.212 308 D C 1.569 177.120 176.300 -1.249 0.000 0.968 308 D CA 1.435 54.955 54.000 -0.800 0.000 0.882 308 D CB -0.109 40.255 40.800 -0.727 0.000 0.918 308 D HN 0.567 nan 8.370 nan 0.000 0.503 309 W N 0.911 121.899 121.300 -0.520 0.000 3.067 309 W HA 0.128 4.800 4.660 0.020 0.000 0.417 309 W C 1.382 177.753 176.519 -0.247 0.000 1.029 309 W CA -0.295 56.735 57.345 -0.526 0.000 1.992 309 W CB 0.206 29.448 29.460 -0.363 0.000 1.122 309 W HN -0.120 nan 8.180 nan 0.000 0.681 310 S N -1.792 113.799 115.700 -0.181 0.000 2.540 310 S HA 0.081 4.563 4.470 0.020 0.000 0.218 310 S C 0.586 175.272 174.600 0.143 0.000 0.977 310 S CA -0.184 58.043 58.200 0.045 0.000 0.918 310 S CB -0.409 62.812 63.200 0.035 0.000 0.806 310 S HN 0.081 nan 8.310 nan 0.000 0.496 311 H N 3.171 122.299 119.070 0.097 0.000 2.703 311 H HA 0.484 5.052 4.556 0.020 0.000 0.377 311 H C 0.794 176.394 175.328 0.454 0.000 1.392 311 H CA 0.637 56.776 56.048 0.152 0.000 1.458 311 H CB -0.015 29.738 29.762 -0.015 0.000 1.529 311 H HN 0.446 nan 8.280 nan 0.000 0.619 312 T N -2.495 112.365 114.554 0.509 0.000 2.907 312 T HA 0.737 5.099 4.350 0.020 0.000 0.292 312 T C -0.003 174.928 174.700 0.384 0.000 1.043 312 T CA -0.932 61.413 62.100 0.408 0.000 1.003 312 T CB 1.980 70.970 68.868 0.204 0.000 1.084 312 T HN 0.754 nan 8.240 nan 0.000 0.483 313 A N 2.441 125.382 122.820 0.202 0.000 2.304 313 A HA 0.665 4.997 4.320 0.020 0.000 0.271 313 A C -2.039 175.598 177.584 0.089 0.000 1.091 313 A CA -1.852 50.284 52.037 0.164 0.000 0.812 313 A CB -0.324 18.640 19.000 -0.061 0.000 1.056 313 A HN 0.753 nan 8.150 nan 0.000 0.489 314 P HA 0.167 nan 4.420 nan 0.000 0.235 314 P C -0.749 176.563 177.300 0.021 0.000 1.765 314 P CA -0.275 62.848 63.100 0.038 0.000 1.034 314 P CB -0.410 31.298 31.700 0.013 0.000 1.984 315 L N 2.059 123.291 121.223 0.015 0.000 2.514 315 L HA 0.045 4.398 4.340 0.020 0.000 0.280 315 L C 1.397 178.290 176.870 0.039 0.000 1.223 315 L CA 0.563 55.404 54.840 0.002 0.000 0.864 315 L CB -0.405 41.634 42.059 -0.033 0.000 1.118 315 L HN 0.174 nan 8.230 nan 0.000 0.494 316 R N 3.993 124.523 120.500 0.049 0.000 2.234 316 R HA 0.412 4.764 4.340 0.020 0.000 0.324 316 R C -0.760 175.578 176.300 0.064 0.000 1.054 316 R CA -0.620 55.547 56.100 0.112 0.000 0.912 316 R CB 0.751 31.125 30.300 0.124 0.000 1.030 316 R HN 0.355 nan 8.270 nan 0.000 0.455 317 I N 4.704 125.323 120.570 0.082 0.000 2.339 317 I HA 0.271 4.453 4.170 0.020 0.000 0.290 317 I C 0.117 176.269 176.117 0.059 0.000 0.994 317 I CA -0.560 60.771 61.300 0.051 0.000 1.191 317 I CB 1.343 39.371 38.000 0.047 0.000 1.343 317 I HN 0.621 nan 8.210 nan 0.000 0.458 318 M N 5.850 125.491 119.600 0.069 0.000 2.167 318 M HA 0.431 4.924 4.480 0.020 0.000 0.333 318 M C -0.818 175.606 176.300 0.207 0.000 1.030 318 M CA -0.041 55.330 55.300 0.117 0.000 0.963 318 M CB 1.489 34.138 32.600 0.083 0.000 1.589 318 M HN 0.585 nan 8.290 nan 0.000 0.431 319 S N 5.632 121.470 115.700 0.231 0.000 2.472 319 S HA 0.848 5.330 4.470 0.020 0.000 0.303 319 S C -1.107 173.717 174.600 0.375 0.000 1.099 319 S CA -0.626 57.728 58.200 0.256 0.000 1.077 319 S CB 0.745 64.034 63.200 0.149 0.000 1.031 319 S HN 0.660 nan 8.310 nan 0.000 0.487 320 F N 1.782 121.827 119.950 0.158 0.000 2.664 320 F HA 0.871 5.409 4.527 0.018 0.000 0.317 320 F C -1.276 174.588 175.800 0.107 0.000 1.108 320 F CA -0.979 57.114 58.000 0.155 0.000 0.957 320 F CB 1.474 40.620 39.000 0.243 0.000 1.365 320 F HN 0.500 nan 8.300 nan 0.000 0.475 321 D N 1.720 122.097 120.400 -0.038 0.000 2.927 321 D HA 0.514 5.166 4.640 0.020 0.000 0.219 321 D C -1.358 174.946 176.300 0.007 0.000 1.248 321 D CA -0.453 53.464 54.000 -0.138 0.000 0.861 321 D CB 2.315 43.083 40.800 -0.055 0.000 1.677 321 D HN 0.893 nan 8.370 nan 0.000 0.511 322 I N -0.568 120.003 120.570 0.002 0.000 2.707 322 I HA 0.727 4.910 4.170 0.020 0.000 0.309 322 I C -0.744 175.397 176.117 0.040 0.000 1.001 322 I CA -0.597 60.701 61.300 -0.004 0.000 1.129 322 I CB 1.931 39.883 38.000 -0.079 0.000 1.308 322 I HN 0.118 nan 8.210 nan 0.000 0.466 323 E N 3.821 124.024 120.200 0.005 0.000 2.212 323 E HA 0.480 4.842 4.350 0.020 0.000 0.268 323 E C -1.514 175.049 176.600 -0.063 0.000 0.902 323 E CA -0.467 55.937 56.400 0.007 0.000 0.779 323 E CB 2.241 31.962 29.700 0.035 0.000 1.172 323 E HN 0.716 nan 8.360 nan 0.000 0.409 324 C N 1.131 120.372 119.300 -0.097 0.000 2.507 324 C HA 0.758 5.230 4.460 0.020 0.000 0.319 324 C C 0.269 175.205 174.990 -0.090 0.000 1.208 324 C CA -0.901 58.040 59.018 -0.129 0.000 1.619 324 C CB 1.138 28.720 27.740 -0.264 0.000 2.230 324 C HN 0.769 nan 8.230 nan 0.000 0.492 325 A N 2.033 124.823 122.820 -0.051 0.000 2.366 325 A HA 0.696 5.028 4.320 0.020 0.000 0.322 325 A C 0.445 178.017 177.584 -0.021 0.000 1.397 325 A CA 0.086 52.100 52.037 -0.037 0.000 0.984 325 A CB -0.232 18.756 19.000 -0.020 0.000 1.149 325 A HN 1.175 nan 8.150 nan 0.000 0.540 326 G N 1.315 110.093 108.800 -0.038 0.000 2.820 326 G HA2 0.588 4.560 3.960 0.020 0.000 0.291 326 G HA3 0.588 4.560 3.960 0.020 0.000 0.291 326 G C -0.256 174.640 174.900 -0.007 0.000 1.323 326 G CA -0.961 44.129 45.100 -0.017 0.000 1.055 326 G HN 0.741 nan 8.290 nan 0.000 0.520 327 R N -1.318 119.187 120.500 0.009 0.000 2.459 327 R HA 0.494 4.846 4.340 0.020 0.000 0.281 327 R C 0.734 177.040 176.300 0.009 0.000 1.050 327 R CA -0.289 55.815 56.100 0.006 0.000 1.055 327 R CB 1.038 31.340 30.300 0.003 0.000 1.045 327 R HN 0.552 nan 8.270 nan 0.000 0.495 328 I N 1.505 122.078 120.570 0.005 0.000 2.742 328 I HA 0.253 4.435 4.170 0.020 0.000 0.287 328 I C 1.461 177.592 176.117 0.024 0.000 1.186 328 I CA 1.087 62.394 61.300 0.010 0.000 1.417 328 I CB -1.036 36.966 38.000 0.004 0.000 1.377 328 I HN 0.918 nan 8.210 nan 0.000 0.556 329 G N 3.327 112.150 108.800 0.038 0.000 2.195 329 G HA2 0.045 4.017 3.960 0.020 0.000 0.246 329 G HA3 0.045 4.017 3.960 0.020 0.000 0.246 329 G C 0.083 175.030 174.900 0.078 0.000 0.984 329 G CA 0.289 45.422 45.100 0.054 0.000 0.633 329 G HN 1.982 nan 8.290 nan 0.000 0.525 330 V N 1.349 121.311 119.914 0.081 0.000 2.444 330 V HA 0.611 4.743 4.120 0.020 0.000 0.294 330 V C 0.199 176.387 176.094 0.156 0.000 1.022 330 V CA -1.106 61.264 62.300 0.117 0.000 0.850 330 V CB 1.472 33.347 31.823 0.085 0.000 0.992 330 V HN 0.400 nan 8.190 nan 0.000 0.426 331 F N 7.903 127.896 119.950 0.072 0.000 2.608 331 F HA 0.298 4.836 4.527 0.018 0.000 0.380 331 F C -1.805 174.087 175.800 0.154 0.000 1.083 331 F CA -1.498 56.554 58.000 0.086 0.000 1.266 331 F CB 0.559 39.609 39.000 0.083 0.000 1.076 331 F HN 0.346 nan 8.300 nan 0.000 0.574 332 P HA 0.002 nan 4.420 nan 0.000 0.264 332 P C -1.476 175.952 177.300 0.214 0.000 1.183 332 P CA 0.431 63.458 63.100 -0.123 0.000 0.763 332 P CB 0.356 31.881 31.700 -0.292 0.000 0.807 333 E N 4.565 124.938 120.200 0.288 0.000 2.210 333 E HA 0.210 4.572 4.350 0.020 0.000 0.266 333 E C -1.808 174.824 176.600 0.053 0.000 0.883 333 E CA -1.940 54.604 56.400 0.240 0.000 0.761 333 E CB 1.323 31.181 29.700 0.263 0.000 1.156 333 E HN 0.267 nan 8.360 nan 0.000 0.412 334 P HA -0.179 nan 4.420 nan 0.000 0.219 334 P C 0.394 177.473 177.300 -0.369 0.000 1.146 334 P CA 1.108 63.797 63.100 -0.685 0.000 0.808 334 P CB 0.324 31.530 31.700 -0.823 0.000 0.779 335 E N -2.268 117.709 120.200 -0.372 0.000 2.268 335 E HA -0.142 4.220 4.350 0.020 0.000 0.195 335 E C 0.883 177.044 176.600 -0.732 0.000 0.995 335 E CA 1.237 57.267 56.400 -0.618 0.000 0.836 335 E CB -0.469 28.689 29.700 -0.903 0.000 0.763 335 E HN 0.475 nan 8.360 nan 0.000 0.491 336 Y N -0.884 119.404 120.300 -0.020 0.000 2.550 336 Y HA 0.234 4.795 4.550 0.018 0.000 0.275 336 Y C -0.081 175.832 175.900 0.022 0.000 1.148 336 Y CA -0.520 57.582 58.100 0.004 0.000 1.200 336 Y CB 0.766 39.234 38.460 0.015 0.000 1.299 336 Y HN -0.156 nan 8.280 nan 0.000 0.509 337 D N 3.416 123.932 120.400 0.193 0.000 2.280 337 D HA 0.263 4.915 4.640 0.020 0.000 0.236 337 D C -2.695 173.699 176.300 0.157 0.000 1.082 337 D CA -1.670 52.429 54.000 0.165 0.000 0.834 337 D CB 1.585 42.488 40.800 0.172 0.000 1.100 337 D HN -0.034 nan 8.370 nan 0.000 0.486 338 P HA 0.050 nan 4.420 nan 0.000 0.275 338 P C -0.034 177.294 177.300 0.046 0.000 1.228 338 P CA -0.453 62.681 63.100 0.057 0.000 0.786 338 P CB 0.966 32.679 31.700 0.023 0.000 0.927 339 V N 4.860 124.793 119.914 0.032 0.000 2.508 339 V HA 0.018 4.150 4.120 0.020 0.000 0.281 339 V C 1.679 177.743 176.094 -0.050 0.000 1.041 339 V CA 0.227 62.500 62.300 -0.044 0.000 1.016 339 V CB 0.464 32.236 31.823 -0.085 0.000 0.984 339 V HN 0.536 nan 8.190 nan 0.000 0.478 340 I N 1.605 122.149 120.570 -0.045 0.000 4.227 340 I HA 0.397 4.580 4.170 0.020 0.000 0.334 340 I C 0.259 176.376 176.117 0.000 0.000 1.341 340 I CA 0.368 61.658 61.300 -0.017 0.000 1.123 340 I CB 0.215 38.211 38.000 -0.008 0.000 1.097 340 I HN 0.607 nan 8.210 nan 0.000 0.399 341 Q N 1.369 121.161 119.800 -0.014 0.000 2.353 341 Q HA 0.662 5.014 4.340 0.020 0.000 0.275 341 Q C -1.431 174.553 176.000 -0.027 0.000 1.029 341 Q CA -0.509 55.305 55.803 0.019 0.000 0.848 341 Q CB 3.444 32.212 28.738 0.050 0.000 1.390 341 Q HN 0.209 nan 8.270 nan 0.000 0.401 342 I N 1.359 121.921 120.570 -0.013 0.000 2.468 342 I HA 0.609 4.791 4.170 0.020 0.000 0.284 342 I C -0.639 175.520 176.117 0.069 0.000 1.038 342 I CA -0.761 60.475 61.300 -0.107 0.000 1.083 342 I CB 1.801 39.473 38.000 -0.546 0.000 1.223 342 I HN 0.570 nan 8.210 nan 0.000 0.443 343 A N 6.483 129.371 122.820 0.113 0.000 2.306 343 A HA 0.766 5.098 4.320 0.020 0.000 0.314 343 A C -0.600 177.119 177.584 0.226 0.000 1.164 343 A CA -0.578 51.557 52.037 0.164 0.000 0.822 343 A CB 0.754 19.823 19.000 0.116 0.000 1.130 343 A HN 0.772 nan 8.150 nan 0.000 0.496 344 N N 0.377 119.216 118.700 0.231 0.000 2.235 344 N HA 0.565 5.317 4.740 0.020 0.000 0.293 344 N C -1.766 173.878 175.510 0.223 0.000 1.083 344 N CA -0.369 52.852 53.050 0.286 0.000 0.801 344 N CB 2.359 41.027 38.487 0.301 0.000 1.559 344 N HN 0.323 nan 8.380 nan 0.000 0.472 345 V N 1.337 121.383 119.914 0.220 0.000 2.760 345 V HA 0.516 4.648 4.120 0.020 0.000 0.309 345 V C -0.545 175.606 176.094 0.096 0.000 1.077 345 V CA -0.696 61.690 62.300 0.145 0.000 0.910 345 V CB 2.332 34.262 31.823 0.180 0.000 1.008 345 V HN 0.390 nan 8.190 nan 0.000 0.424 346 V N 3.262 123.137 119.914 -0.065 0.000 2.656 346 V HA 0.866 4.998 4.120 0.020 0.000 0.307 346 V C -0.182 175.712 176.094 -0.334 0.000 1.051 346 V CA -0.378 61.793 62.300 -0.214 0.000 0.893 346 V CB 2.018 33.608 31.823 -0.388 0.000 0.999 346 V HN 1.037 nan 8.190 nan 0.000 0.426 347 S N 4.127 119.811 115.700 -0.027 0.000 2.651 347 S HA 0.763 5.245 4.470 0.020 0.000 0.279 347 S C -1.098 173.698 174.600 0.326 0.000 1.148 347 S CA -0.913 57.414 58.200 0.213 0.000 0.837 347 S CB 2.001 65.297 63.200 0.160 0.000 1.138 347 S HN 0.382 nan 8.310 nan 0.000 0.478 348 I N 1.975 122.741 120.570 0.327 0.000 2.395 348 I HA 0.394 4.576 4.170 0.020 0.000 0.289 348 I C 1.198 177.380 176.117 0.109 0.000 1.023 348 I CA -0.504 60.902 61.300 0.178 0.000 1.350 348 I CB 0.453 38.508 38.000 0.091 0.000 1.409 348 I HN 1.036 nan 8.210 nan 0.000 0.507 349 A N 4.941 127.805 122.820 0.073 0.000 2.600 349 A HA 0.265 4.597 4.320 0.020 0.000 0.253 349 A C 1.438 179.051 177.584 0.048 0.000 0.997 349 A CA 0.985 53.050 52.037 0.047 0.000 0.820 349 A CB -0.816 18.201 19.000 0.029 0.000 0.888 349 A HN 1.528 nan 8.150 nan 0.000 0.508 350 G N 0.986 109.811 108.800 0.043 0.000 2.179 350 G HA2 0.132 4.105 3.960 0.020 0.000 0.260 350 G HA3 0.132 4.105 3.960 0.020 0.000 0.260 350 G C 0.658 175.586 174.900 0.046 0.000 0.977 350 G CA 0.706 45.830 45.100 0.040 0.000 0.641 350 G HN 2.340 nan 8.290 nan 0.000 0.533 351 A N -0.382 122.476 122.820 0.063 0.000 2.425 351 A HA 0.691 5.023 4.320 0.020 0.000 0.242 351 A C 1.375 179.003 177.584 0.073 0.000 1.077 351 A CA 1.259 53.340 52.037 0.073 0.000 0.781 351 A CB 0.402 19.466 19.000 0.108 0.000 1.020 351 A HN 0.227 nan 8.150 nan 0.000 0.494 352 K N 0.586 121.026 120.400 0.067 0.000 2.057 352 K HA 0.064 4.396 4.320 0.020 0.000 0.206 352 K C 1.027 177.685 176.600 0.096 0.000 1.050 352 K CA 2.251 58.578 56.287 0.067 0.000 0.935 352 K CB -0.249 32.282 32.500 0.052 0.000 0.715 352 K HN 0.849 nan 8.250 nan 0.000 0.439 353 K N 1.062 121.527 120.400 0.109 0.000 2.477 353 K HA 0.446 4.778 4.320 0.020 0.000 0.255 353 K C -2.887 173.806 176.600 0.155 0.000 0.952 353 K CA -1.946 54.418 56.287 0.128 0.000 0.826 353 K CB 0.638 33.190 32.500 0.087 0.000 1.331 353 K HN -0.103 nan 8.250 nan 0.000 0.437 354 P HA 0.304 nan 4.420 nan 0.000 0.274 354 P C 0.140 177.526 177.300 0.143 0.000 1.231 354 P CA -0.342 62.836 63.100 0.130 0.000 0.790 354 P CB 0.280 32.033 31.700 0.088 0.000 0.951 355 F N 0.083 120.081 119.950 0.080 0.000 2.754 355 F HA 0.443 4.983 4.527 0.021 0.000 0.297 355 F C 0.386 176.243 175.800 0.095 0.000 1.122 355 F CA -0.263 57.779 58.000 0.071 0.000 1.400 355 F CB -0.047 38.986 39.000 0.057 0.000 1.117 355 F HN -0.059 nan 8.300 nan 0.000 0.587 356 I N 1.960 122.298 120.570 -0.387 0.000 2.498 356 I HA 0.468 4.650 4.170 0.020 0.000 0.290 356 I C -0.736 175.365 176.117 -0.028 0.000 1.032 356 I CA -0.857 60.355 61.300 -0.146 0.000 1.073 356 I CB 1.993 39.901 38.000 -0.154 0.000 1.251 356 I HN -0.043 nan 8.210 nan 0.000 0.426 357 R N 4.779 125.298 120.500 0.032 0.000 2.514 357 R HA 0.500 4.852 4.340 0.020 0.000 0.296 357 R C -1.470 174.851 176.300 0.034 0.000 1.012 357 R CA -0.887 55.231 56.100 0.030 0.000 0.897 357 R CB 2.053 32.338 30.300 -0.025 0.000 1.184 357 R HN 0.812 nan 8.270 nan 0.000 0.440 358 N N -0.579 118.163 118.700 0.071 0.000 3.020 358 N HA 0.475 5.227 4.740 0.020 0.000 0.248 358 N C -1.654 173.913 175.510 0.096 0.000 1.480 358 N CA -0.802 52.267 53.050 0.030 0.000 0.874 358 N CB 1.652 40.206 38.487 0.111 0.000 1.433 358 N HN 0.134 nan 8.380 nan 0.000 0.530 359 V N 0.255 120.197 119.914 0.047 0.000 2.623 359 V HA 0.471 4.603 4.120 0.020 0.000 0.304 359 V C -1.127 175.093 176.094 0.210 0.000 1.054 359 V CA -0.617 61.778 62.300 0.158 0.000 0.882 359 V CB 1.082 32.945 31.823 0.067 0.000 1.002 359 V HN 0.654 nan 8.190 nan 0.000 0.424 360 F N 3.133 123.155 119.950 0.119 0.000 2.420 360 F HA 0.568 5.108 4.527 0.022 0.000 0.352 360 F C 0.967 176.846 175.800 0.130 0.000 1.108 360 F CA -0.146 57.983 58.000 0.215 0.000 1.162 360 F CB 1.714 40.794 39.000 0.134 0.000 1.118 360 F HN 0.600 nan 8.300 nan 0.000 0.510 361 T N 2.255 117.000 114.554 0.319 0.000 2.908 361 T HA 0.590 4.952 4.350 0.020 0.000 0.290 361 T C -1.099 173.741 174.700 0.234 0.000 1.034 361 T CA -0.987 61.232 62.100 0.199 0.000 1.010 361 T CB 1.770 70.701 68.868 0.105 0.000 1.068 361 T HN 0.398 nan 8.240 nan 0.000 0.481 362 L N 3.756 125.054 121.223 0.124 0.000 2.276 362 L HA 0.626 4.978 4.340 0.020 0.000 0.286 362 L C 0.297 177.216 176.870 0.081 0.000 1.061 362 L CA 0.705 55.608 54.840 0.105 0.000 0.807 362 L CB -0.379 41.710 42.059 0.050 0.000 1.177 362 L HN 1.124 nan 8.230 nan 0.000 0.429 363 N N 1.381 120.131 118.700 0.083 0.000 6.891 363 N HA -0.203 4.550 4.740 0.020 0.000 0.420 363 N C -0.709 174.821 175.510 0.034 0.000 0.939 363 N CA 1.097 54.176 53.050 0.048 0.000 1.300 363 N CB -0.531 37.974 38.487 0.031 0.000 0.824 363 N HN 0.984 nan 8.380 nan 0.000 0.284 364 T N -1.460 113.102 114.554 0.013 0.000 2.882 364 T HA 0.593 4.955 4.350 0.020 0.000 0.287 364 T C 0.507 175.203 174.700 -0.007 0.000 1.014 364 T CA -0.163 61.935 62.100 -0.003 0.000 1.049 364 T CB 1.193 70.055 68.868 -0.010 0.000 1.001 364 T HN 0.848 nan 8.240 nan 0.000 0.525 365 C N 2.419 121.705 119.300 -0.022 0.000 2.716 365 C HA 0.590 5.062 4.460 0.020 0.000 0.366 365 C C 0.158 175.123 174.990 -0.042 0.000 1.073 365 C CA -0.526 58.477 59.018 -0.026 0.000 1.260 365 C CB 0.460 28.186 27.740 -0.023 0.000 1.755 365 C HN 1.100 nan 8.230 nan 0.000 0.475 366 S N 5.893 121.572 115.700 -0.035 0.000 2.579 366 S HA 0.318 4.800 4.470 0.020 0.000 0.275 366 S C -2.442 172.127 174.600 -0.052 0.000 1.345 366 S CA -0.220 57.956 58.200 -0.040 0.000 1.031 366 S CB 0.530 63.712 63.200 -0.030 0.000 0.892 366 S HN 0.732 nan 8.310 nan 0.000 0.529 367 P HA 0.177 nan 4.420 nan 0.000 0.266 367 P C -0.852 176.411 177.300 -0.062 0.000 1.195 367 P CA 0.284 63.341 63.100 -0.070 0.000 0.768 367 P CB 0.220 31.883 31.700 -0.061 0.000 0.838 368 I N 1.834 122.360 120.570 -0.073 0.000 2.411 368 I HA 0.121 4.303 4.170 0.020 0.000 0.284 368 I C 0.156 176.235 176.117 -0.063 0.000 1.012 368 I CA -0.623 60.640 61.300 -0.061 0.000 1.119 368 I CB 1.432 39.397 38.000 -0.058 0.000 1.261 368 I HN 0.164 nan 8.210 nan 0.000 0.448 369 T N 5.176 119.699 114.554 -0.052 0.000 2.656 369 T HA 0.101 4.463 4.350 0.020 0.000 0.263 369 T C 1.089 175.755 174.700 -0.056 0.000 1.017 369 T CA 1.336 63.407 62.100 -0.049 0.000 1.216 369 T CB 0.034 68.878 68.868 -0.040 0.000 0.989 369 T HN 1.122 nan 8.240 nan 0.000 0.507 370 G N 2.497 111.265 108.800 -0.054 0.000 2.131 370 G HA2 -0.114 3.858 3.960 0.020 0.000 0.223 370 G HA3 -0.114 3.858 3.960 0.020 0.000 0.223 370 G C 0.147 175.010 174.900 -0.062 0.000 0.990 370 G CA 0.068 45.136 45.100 -0.054 0.000 0.671 370 G HN 1.491 nan 8.290 nan 0.000 0.521 371 S N -1.068 114.588 115.700 -0.074 0.000 2.550 371 S HA 0.791 5.273 4.470 0.020 0.000 0.270 371 S C -0.363 174.149 174.600 -0.148 0.000 1.145 371 S CA -0.724 57.423 58.200 -0.088 0.000 0.852 371 S CB 1.696 64.848 63.200 -0.081 0.000 1.119 371 S HN 0.530 nan 8.310 nan 0.000 0.465 372 M N 2.570 122.043 119.600 -0.211 0.000 2.274 372 M HA 0.475 4.967 4.480 0.020 0.000 0.344 372 M C -0.791 175.125 176.300 -0.640 0.000 1.161 372 M CA -0.653 54.379 55.300 -0.447 0.000 1.126 372 M CB 0.851 33.126 32.600 -0.542 0.000 1.522 372 M HN 0.524 nan 8.290 nan 0.000 0.461 373 I N 2.946 123.077 120.570 -0.732 0.000 2.389 373 I HA 0.343 4.525 4.170 0.020 0.000 0.288 373 I C -1.161 174.494 176.117 -0.769 0.000 0.999 373 I CA -0.439 60.511 61.300 -0.583 0.000 1.129 373 I CB 0.870 38.696 38.000 -0.290 0.000 1.288 373 I HN 0.528 nan 8.210 nan 0.000 0.444 374 F N 4.375 124.150 119.950 -0.291 0.000 2.311 374 F HA 0.335 4.874 4.527 0.020 0.000 0.371 374 F C 0.856 176.441 175.800 -0.359 0.000 1.083 374 F CA -0.743 56.998 58.000 -0.431 0.000 1.113 374 F CB 1.111 39.654 39.000 -0.762 0.000 1.349 374 F HN 0.355 nan 8.300 nan 0.000 0.470 375 S N 2.438 118.021 115.700 -0.194 0.000 2.617 375 S HA 0.626 5.109 4.470 0.020 0.000 0.283 375 S C -0.753 173.674 174.600 -0.290 0.000 1.189 375 S CA -0.677 57.468 58.200 -0.091 0.000 1.036 375 S CB 1.262 64.437 63.200 -0.042 0.000 1.014 375 S HN 0.591 nan 8.310 nan 0.000 0.522 376 H N -0.123 118.973 119.070 0.043 0.000 2.895 376 H HA 0.537 5.106 4.556 0.021 0.000 0.373 376 H C 0.668 176.019 175.328 0.038 0.000 1.174 376 H CA -0.694 55.384 56.048 0.051 0.000 1.144 376 H CB 2.078 31.888 29.762 0.079 0.000 1.793 376 H HN 0.741 nan 8.280 nan 0.000 0.551 377 A N 1.833 124.738 122.820 0.142 0.000 1.970 377 A HA -0.010 4.322 4.320 0.020 0.000 0.216 377 A C 1.078 178.714 177.584 0.086 0.000 1.170 377 A CA 1.433 53.522 52.037 0.088 0.000 0.645 377 A CB -0.137 18.899 19.000 0.059 0.000 0.816 377 A HN 0.685 nan 8.150 nan 0.000 0.447 378 T N -4.249 110.368 114.554 0.106 0.000 2.907 378 T HA 0.478 4.840 4.350 0.020 0.000 0.292 378 T C 0.422 175.151 174.700 0.050 0.000 1.043 378 T CA 0.011 62.151 62.100 0.067 0.000 1.003 378 T CB 2.003 70.903 68.868 0.052 0.000 1.084 378 T HN 0.255 nan 8.240 nan 0.000 0.483 379 E N 0.597 120.804 120.200 0.011 0.000 2.077 379 E HA -0.212 4.150 4.350 0.020 0.000 0.193 379 E C 1.415 177.981 176.600 -0.057 0.000 0.989 379 E CA 1.541 57.921 56.400 -0.033 0.000 0.800 379 E CB -0.018 29.660 29.700 -0.038 0.000 0.746 379 E HN 0.785 nan 8.360 nan 0.000 0.452 380 E N 0.838 121.022 120.200 -0.026 0.000 2.058 380 E HA -0.220 4.142 4.350 0.020 0.000 0.194 380 E C 1.925 178.535 176.600 0.017 0.000 0.997 380 E CA 1.472 57.863 56.400 -0.016 0.000 0.801 380 E CB -0.144 29.563 29.700 0.011 0.000 0.746 380 E HN 0.333 nan 8.360 nan 0.000 0.450 381 E N 0.158 120.386 120.200 0.046 0.000 2.051 381 E HA -0.246 4.116 4.350 0.020 0.000 0.192 381 E C 2.069 178.689 176.600 0.034 0.000 0.991 381 E CA 1.236 57.698 56.400 0.104 0.000 0.799 381 E CB -0.108 29.702 29.700 0.182 0.000 0.748 381 E HN 0.251 nan 8.360 nan 0.000 0.449 382 M N 0.474 119.955 119.600 -0.198 0.000 2.080 382 M HA -0.231 4.262 4.480 0.020 0.000 0.260 382 M C 2.126 178.352 176.300 -0.123 0.000 1.068 382 M CA 1.549 56.504 55.300 -0.575 0.000 1.109 382 M CB -0.079 32.224 32.600 -0.495 0.000 1.342 382 M HN 0.163 nan 8.290 nan 0.000 0.405 383 L N -0.815 120.364 121.223 -0.074 0.000 2.017 383 L HA -0.214 4.138 4.340 0.020 0.000 0.208 383 L C 2.478 179.550 176.870 0.337 0.000 1.073 383 L CA 1.405 56.253 54.840 0.014 0.000 0.745 383 L CB -0.873 40.997 42.059 -0.316 0.000 0.894 383 L HN 0.310 nan 8.230 nan 0.000 0.432 384 S N -0.099 115.754 115.700 0.254 0.000 2.368 384 S HA -0.134 4.348 4.470 0.020 0.000 0.225 384 S C 1.749 176.508 174.600 0.265 0.000 1.030 384 S CA 1.232 59.608 58.200 0.293 0.000 0.999 384 S CB -0.342 62.979 63.200 0.202 0.000 0.844 384 S HN 0.428 nan 8.310 nan 0.000 0.459 385 N N 0.247 119.111 118.700 0.274 0.000 2.166 385 N HA -0.103 4.649 4.740 0.020 0.000 0.186 385 N C 1.147 176.891 175.510 0.390 0.000 1.019 385 N CA 0.885 54.146 53.050 0.351 0.000 0.856 385 N CB -0.388 38.403 38.487 0.506 0.000 0.993 385 N HN 0.567 nan 8.380 nan 0.000 0.426 386 W N 2.587 123.920 121.300 0.056 0.000 2.381 386 W HA 0.013 4.684 4.660 0.018 0.000 0.301 386 W C 2.465 178.927 176.519 -0.095 0.000 1.205 386 W CA 1.129 58.302 57.345 -0.287 0.000 1.285 386 W CB -0.269 28.900 29.460 -0.486 0.000 1.133 386 W HN -0.057 nan 8.180 nan 0.000 0.521 387 R N 0.602 121.113 120.500 0.018 0.000 2.096 387 R HA -0.236 4.116 4.340 0.020 0.000 0.240 387 R C 1.769 177.975 176.300 -0.157 0.000 1.139 387 R CA 2.287 58.256 56.100 -0.220 0.000 0.952 387 R CB -1.048 29.229 30.300 -0.038 0.000 0.854 387 R HN 0.366 nan 8.270 nan 0.000 0.436 388 N N -0.508 118.190 118.700 -0.003 0.000 2.166 388 N HA -0.185 4.567 4.740 0.020 0.000 0.186 388 N C 1.655 177.156 175.510 -0.015 0.000 1.019 388 N CA 1.263 54.320 53.050 0.011 0.000 0.856 388 N CB -0.259 38.274 38.487 0.076 0.000 0.993 388 N HN 0.161 nan 8.380 nan 0.000 0.426 389 F N 2.117 121.982 119.950 -0.142 0.000 2.069 389 F HA -0.148 4.390 4.527 0.019 0.000 0.298 389 F C 1.909 177.546 175.800 -0.272 0.000 1.113 389 F CA 1.314 59.221 58.000 -0.155 0.000 1.214 389 F CB -0.327 38.619 39.000 -0.090 0.000 0.978 389 F HN -0.043 nan 8.300 nan 0.000 0.474 390 I N 0.272 120.517 120.570 -0.541 0.000 2.163 390 I HA -0.347 3.835 4.170 0.020 0.000 0.243 390 I C 2.438 178.310 176.117 -0.408 0.000 1.085 390 I CA 1.816 62.737 61.300 -0.632 0.000 1.347 390 I CB -0.610 36.961 38.000 -0.715 0.000 1.044 390 I HN 0.190 nan 8.210 nan 0.000 0.408 391 I N 0.511 120.918 120.570 -0.271 0.000 2.179 391 I HA -0.297 3.885 4.170 0.020 0.000 0.242 391 I C 2.579 178.595 176.117 -0.168 0.000 1.088 391 I CA 1.520 62.719 61.300 -0.169 0.000 1.357 391 I CB -0.380 37.560 38.000 -0.099 0.000 1.051 391 I HN 0.157 nan 8.210 nan 0.000 0.409 392 K N 0.223 120.514 120.400 -0.182 0.000 2.057 392 K HA -0.080 4.252 4.320 0.020 0.000 0.206 392 K C 2.098 178.586 176.600 -0.186 0.000 1.050 392 K CA 1.139 57.339 56.287 -0.145 0.000 0.935 392 K CB -0.168 32.274 32.500 -0.096 0.000 0.715 392 K HN 0.167 nan 8.250 nan 0.000 0.439 393 V N 1.215 120.919 119.914 -0.350 0.000 2.515 393 V HA -0.179 3.953 4.120 0.020 0.000 0.250 393 V C 0.302 176.280 176.094 -0.192 0.000 1.058 393 V CA 1.257 63.362 62.300 -0.324 0.000 1.064 393 V CB -0.761 30.668 31.823 -0.657 0.000 0.675 393 V HN 0.523 nan 8.190 nan 0.000 0.461 394 D N -0.475 119.797 120.400 -0.214 0.000 2.705 394 D HA -0.118 4.535 4.640 0.020 0.000 0.240 394 D C -2.153 174.087 176.300 -0.100 0.000 1.137 394 D CA 0.228 54.148 54.000 -0.134 0.000 0.677 394 D CB -0.350 40.404 40.800 -0.078 0.000 1.049 394 D HN 0.361 nan 8.370 nan 0.000 0.427 395 P HA 0.081 nan 4.420 nan 0.000 0.268 395 P C 0.411 177.674 177.300 -0.061 0.000 1.205 395 P CA -0.036 63.019 63.100 -0.076 0.000 0.771 395 P CB 0.782 32.427 31.700 -0.092 0.000 0.858 396 D N 0.559 120.936 120.400 -0.039 0.000 2.213 396 D HA 0.037 4.689 4.640 0.020 0.000 0.205 396 D C 0.290 176.547 176.300 -0.072 0.000 0.961 396 D CA 1.201 55.169 54.000 -0.053 0.000 0.853 396 D CB 0.473 41.246 40.800 -0.046 0.000 0.967 396 D HN 0.146 nan 8.370 nan 0.000 0.496 397 V N 1.792 121.676 119.914 -0.050 0.000 2.623 397 V HA 0.350 4.482 4.120 0.020 0.000 0.304 397 V C -0.247 175.862 176.094 0.024 0.000 1.054 397 V CA -0.711 61.565 62.300 -0.041 0.000 0.882 397 V CB 2.662 34.435 31.823 -0.083 0.000 1.002 397 V HN -0.108 nan 8.190 nan 0.000 0.424 398 I N 6.252 126.863 120.570 0.069 0.000 2.339 398 I HA 0.592 4.774 4.170 0.020 0.000 0.290 398 I C -0.106 176.133 176.117 0.202 0.000 0.994 398 I CA -0.357 61.040 61.300 0.162 0.000 1.191 398 I CB 1.297 39.409 38.000 0.187 0.000 1.343 398 I HN 0.680 nan 8.210 nan 0.000 0.458 399 I N 2.793 123.496 120.570 0.221 0.000 3.294 399 I HA 1.073 5.255 4.170 0.020 0.000 0.311 399 I C 0.071 176.266 176.117 0.131 0.000 1.111 399 I CA -0.541 60.852 61.300 0.154 0.000 0.976 399 I CB 2.375 40.430 38.000 0.092 0.000 1.260 399 I HN 0.628 nan 8.210 nan 0.000 0.474 400 G N 0.753 109.585 108.800 0.055 0.000 2.367 400 G HA2 0.254 4.226 3.960 0.020 0.000 0.272 400 G HA3 0.254 4.226 3.960 0.020 0.000 0.272 400 G C -2.521 172.428 174.900 0.082 0.000 1.271 400 G CA -0.594 44.498 45.100 -0.013 0.000 0.893 400 G HN 0.772 nan 8.290 nan 0.000 0.485 401 Y N 1.430 121.688 120.300 -0.069 0.000 2.333 401 Y HA 0.515 5.079 4.550 0.023 0.000 0.324 401 Y C 0.634 176.539 175.900 0.007 0.000 1.033 401 Y CA 0.042 58.136 58.100 -0.010 0.000 1.224 401 Y CB 1.428 39.884 38.460 -0.006 0.000 1.120 401 Y HN 0.819 nan 8.280 nan 0.000 0.457 402 N N 1.674 120.270 118.700 -0.173 0.000 2.882 402 N HA -0.228 4.524 4.740 0.020 0.000 0.249 402 N C 0.780 176.337 175.510 0.078 0.000 1.079 402 N CA 1.604 54.635 53.050 -0.033 0.000 0.800 402 N CB -1.034 37.486 38.487 0.055 0.000 1.124 402 N HN 0.771 nan 8.380 nan 0.000 0.557 403 T N -5.342 109.222 114.554 0.017 0.000 2.833 403 T HA -0.115 4.247 4.350 0.020 0.000 0.269 403 T C 1.789 176.562 174.700 0.123 0.000 1.054 403 T CA 1.885 64.003 62.100 0.030 0.000 1.135 403 T CB -0.542 68.307 68.868 -0.032 0.000 0.869 403 T HN 0.241 nan 8.240 nan 0.000 0.466 404 T N 2.458 117.068 114.554 0.094 0.000 2.674 404 T HA -0.059 4.303 4.350 0.020 0.000 0.265 404 T C 1.891 176.659 174.700 0.114 0.000 1.039 404 T CA 1.382 63.542 62.100 0.101 0.000 1.150 404 T CB -0.336 68.565 68.868 0.055 0.000 0.864 404 T HN 0.382 nan 8.240 nan 0.000 0.427 405 N N -0.449 118.322 118.700 0.119 0.000 2.392 405 N HA 0.212 4.964 4.740 0.020 0.000 0.177 405 N C 0.887 176.557 175.510 0.266 0.000 1.066 405 N CA 0.243 53.384 53.050 0.151 0.000 0.895 405 N CB 0.203 38.754 38.487 0.107 0.000 0.988 405 N HN 0.342 nan 8.380 nan 0.000 0.457 406 F N 0.903 120.926 119.950 0.123 0.000 2.373 406 F HA 0.197 4.734 4.527 0.016 0.000 0.253 406 F C 1.137 177.055 175.800 0.196 0.000 0.954 406 F CA 0.275 58.385 58.000 0.184 0.000 1.136 406 F CB -0.341 38.766 39.000 0.179 0.000 1.342 406 F HN -0.246 nan 8.300 nan 0.000 0.701 407 D N 1.324 121.725 120.400 0.000 0.000 2.116 407 D HA -0.218 4.435 4.640 0.020 0.000 0.193 407 D C 2.256 178.596 176.300 0.066 0.000 0.998 407 D CA 2.552 56.485 54.000 -0.113 0.000 0.836 407 D CB -0.304 40.476 40.800 -0.034 0.000 0.951 407 D HN 0.340 nan 8.370 nan 0.000 0.449 408 I N 0.455 121.153 120.570 0.214 0.000 2.133 408 I HA -0.147 4.035 4.170 0.020 0.000 0.238 408 I C -0.747 175.493 176.117 0.205 0.000 1.074 408 I CA 0.920 62.404 61.300 0.306 0.000 1.342 408 I CB -1.117 37.090 38.000 0.345 0.000 1.053 408 I HN 0.014 nan 8.210 nan 0.000 0.404 409 P HA -0.214 nan 4.420 nan 0.000 0.215 409 P C 1.608 178.918 177.300 0.018 0.000 1.153 409 P CA 1.550 64.700 63.100 0.083 0.000 0.853 409 P CB -0.156 31.592 31.700 0.081 0.000 0.788 410 Y N 0.327 120.517 120.300 -0.183 0.000 2.128 410 Y HA -0.220 4.343 4.550 0.021 0.000 0.284 410 Y C 2.229 178.015 175.900 -0.190 0.000 1.154 410 Y CA 1.556 59.486 58.100 -0.283 0.000 1.149 410 Y CB -0.944 37.102 38.460 -0.689 0.000 0.976 410 Y HN -0.220 nan 8.280 nan 0.000 0.505 411 L N -0.724 120.542 121.223 0.072 0.000 2.017 411 L HA -0.278 4.074 4.340 0.020 0.000 0.208 411 L C 2.415 179.307 176.870 0.038 0.000 1.073 411 L CA 1.259 56.106 54.840 0.012 0.000 0.745 411 L CB -0.728 41.390 42.059 0.099 0.000 0.894 411 L HN 0.289 nan 8.230 nan 0.000 0.432 412 L N -0.343 121.011 121.223 0.218 0.000 1.989 412 L HA -0.250 4.103 4.340 0.020 0.000 0.211 412 L C 2.408 179.299 176.870 0.035 0.000 1.071 412 L CA 1.302 56.284 54.840 0.236 0.000 0.749 412 L CB -0.674 41.498 42.059 0.187 0.000 0.890 412 L HN 0.377 nan 8.230 nan 0.000 0.431 413 N N -0.282 118.372 118.700 -0.077 0.000 2.244 413 N HA -0.173 4.580 4.740 0.020 0.000 0.183 413 N C 1.938 177.302 175.510 -0.243 0.000 1.016 413 N CA 0.863 53.815 53.050 -0.164 0.000 0.866 413 N CB -0.240 38.114 38.487 -0.221 0.000 0.980 413 N HN 0.164 nan 8.380 nan 0.000 0.430 414 R N 1.443 121.749 120.500 -0.323 0.000 2.066 414 R HA 0.112 4.464 4.340 0.020 0.000 0.232 414 R C 1.908 178.068 176.300 -0.232 0.000 1.131 414 R CA 1.560 57.472 56.100 -0.313 0.000 0.955 414 R CB -0.922 29.210 30.300 -0.279 0.000 0.851 414 R HN 0.128 nan 8.270 nan 0.000 0.432 415 A N 0.892 123.555 122.820 -0.261 0.000 1.933 415 A HA -0.184 4.149 4.320 0.020 0.000 0.218 415 A C 2.127 179.665 177.584 -0.077 0.000 1.175 415 A CA 1.805 53.701 52.037 -0.234 0.000 0.628 415 A CB -0.577 18.213 19.000 -0.350 0.000 0.814 415 A HN 0.457 nan 8.150 nan 0.000 0.444 416 K N -0.227 120.141 120.400 -0.054 0.000 2.057 416 K HA -0.029 4.304 4.320 0.020 0.000 0.206 416 K C 2.090 178.652 176.600 -0.063 0.000 1.050 416 K CA 1.212 57.481 56.287 -0.031 0.000 0.935 416 K CB -0.357 32.124 32.500 -0.032 0.000 0.715 416 K HN 0.315 nan 8.250 nan 0.000 0.439 417 A N 1.170 123.923 122.820 -0.111 0.000 1.972 417 A HA -0.067 4.265 4.320 0.020 0.000 0.219 417 A C 1.929 179.455 177.584 -0.096 0.000 1.169 417 A CA 1.113 53.074 52.037 -0.128 0.000 0.635 417 A CB -0.403 18.481 19.000 -0.193 0.000 0.810 417 A HN 0.358 nan 8.150 nan 0.000 0.446 418 L N -1.618 119.551 121.223 -0.090 0.000 2.591 418 L HA 0.068 4.420 4.340 0.020 0.000 0.228 418 L C 0.302 177.154 176.870 -0.031 0.000 1.133 418 L CA 0.225 55.028 54.840 -0.062 0.000 0.880 418 L CB -0.125 41.889 42.059 -0.076 0.000 1.033 418 L HN 0.363 nan 8.230 nan 0.000 0.450 419 K N -0.736 119.652 120.400 -0.021 0.000 3.069 419 K HA -0.156 4.176 4.320 0.020 0.000 0.267 419 K C -0.065 176.556 176.600 0.034 0.000 1.082 419 K CA 0.105 56.398 56.287 0.009 0.000 0.782 419 K CB -2.012 30.492 32.500 0.007 0.000 1.230 419 K HN 0.075 nan 8.250 nan 0.000 0.488 420 V N 2.147 122.084 119.914 0.038 0.000 2.229 420 V HA 0.001 4.133 4.120 0.020 0.000 0.245 420 V C 1.176 177.368 176.094 0.162 0.000 1.243 420 V CA 0.031 62.384 62.300 0.088 0.000 1.176 420 V CB 0.401 32.262 31.823 0.064 0.000 1.323 420 V HN 0.285 nan 8.190 nan 0.000 0.499 421 N N 2.805 121.589 118.700 0.140 0.000 2.463 421 N HA -0.069 4.683 4.740 0.020 0.000 0.181 421 N C 1.357 177.015 175.510 0.247 0.000 1.078 421 N CA 0.733 53.882 53.050 0.164 0.000 0.902 421 N CB 0.103 38.655 38.487 0.108 0.000 0.970 421 N HN 0.789 nan 8.380 nan 0.000 0.451 422 D N -0.937 119.605 120.400 0.237 0.000 2.340 422 D HA -0.060 4.592 4.640 0.020 0.000 0.217 422 D C 1.431 177.970 176.300 0.399 0.000 1.081 422 D CA -0.430 53.737 54.000 0.279 0.000 0.842 422 D CB -0.624 40.236 40.800 0.100 0.000 0.934 422 D HN 0.109 nan 8.370 nan 0.000 0.511 423 F N 2.670 122.762 119.950 0.236 0.000 2.102 423 F HA 0.023 4.561 4.527 0.017 0.000 0.298 423 F C -1.201 174.769 175.800 0.284 0.000 1.105 423 F CA 0.165 58.306 58.000 0.236 0.000 1.239 423 F CB -1.083 38.023 39.000 0.177 0.000 0.991 423 F HN -0.096 nan 8.300 nan 0.000 0.474 424 P HA 0.019 nan 4.420 nan 0.000 0.218 424 P C -1.534 175.256 177.300 -0.849 0.000 1.793 424 P CA 0.674 63.529 63.100 -0.407 0.000 0.941 424 P CB -1.086 30.447 31.700 -0.278 0.000 1.919 425 Y N 1.104 121.198 120.300 -0.344 0.000 2.497 425 Y HA 0.286 4.850 4.550 0.024 0.000 0.333 425 Y C 0.464 176.209 175.900 -0.258 0.000 1.046 425 Y CA -0.885 57.034 58.100 -0.301 0.000 1.160 425 Y CB 0.199 38.569 38.460 -0.150 0.000 1.123 425 Y HN -0.016 nan 8.280 nan 0.000 0.638 426 F N -2.234 117.575 119.950 -0.234 0.000 2.764 426 F HA 0.699 5.237 4.527 0.018 0.000 0.310 426 F C 0.787 176.441 175.800 -0.244 0.000 1.124 426 F CA -1.080 56.752 58.000 -0.281 0.000 1.252 426 F CB -0.234 38.497 39.000 -0.449 0.000 1.010 426 F HN 0.173 nan 8.300 nan 0.000 0.518 427 G N 0.853 109.455 108.800 -0.330 0.000 2.588 427 G HA2 0.266 4.238 3.960 0.020 0.000 0.278 427 G HA3 0.266 4.238 3.960 0.020 0.000 0.278 427 G C 0.546 175.350 174.900 -0.160 0.000 1.307 427 G CA -0.884 44.068 45.100 -0.248 0.000 1.016 427 G HN 0.346 nan 8.290 nan 0.000 0.503 428 R N -1.344 119.040 120.500 -0.194 0.000 2.313 428 R HA 0.146 4.498 4.340 0.020 0.000 0.199 428 R C 0.233 176.538 176.300 0.008 0.000 0.958 428 R CA 0.071 56.111 56.100 -0.100 0.000 1.047 428 R CB -0.141 30.081 30.300 -0.130 0.000 0.955 428 R HN 0.217 nan 8.270 nan 0.000 0.481 429 L N 1.103 122.316 121.223 -0.018 0.000 2.265 429 L HA 0.214 4.566 4.340 0.020 0.000 0.289 429 L C 0.813 177.696 176.870 0.021 0.000 1.033 429 L CA -0.373 54.493 54.840 0.044 0.000 0.814 429 L CB 1.597 43.693 42.059 0.061 0.000 1.203 429 L HN -0.102 nan 8.230 nan 0.000 0.423 430 K N 0.519 120.930 120.400 0.019 0.000 2.063 430 K HA -0.135 4.197 4.320 0.020 0.000 0.208 430 K C 1.431 178.039 176.600 0.013 0.000 1.048 430 K CA 1.903 58.190 56.287 0.001 0.000 0.928 430 K CB -0.078 32.407 32.500 -0.025 0.000 0.713 430 K HN 0.750 nan 8.250 nan 0.000 0.442 431 T N -2.464 112.105 114.554 0.024 0.000 3.174 431 T HA 0.252 4.615 4.350 0.020 0.000 0.269 431 T C 0.027 174.851 174.700 0.206 0.000 1.017 431 T CA -0.654 61.463 62.100 0.029 0.000 0.899 431 T CB 0.151 68.984 68.868 -0.058 0.000 1.077 431 T HN -0.225 nan 8.240 nan 0.000 0.552 432 V N 2.306 122.319 119.914 0.165 0.000 2.364 432 V HA 0.355 4.487 4.120 0.020 0.000 0.272 432 V C 0.401 176.461 176.094 -0.056 0.000 1.036 432 V CA -1.051 61.293 62.300 0.072 0.000 0.880 432 V CB 1.174 32.997 31.823 -0.001 0.000 0.991 432 V HN 0.424 nan 8.190 nan 0.000 0.460 433 K N 3.611 123.910 120.400 -0.169 0.000 2.350 433 K HA 0.226 4.558 4.320 0.020 0.000 0.279 433 K C -0.119 176.207 176.600 -0.457 0.000 1.027 433 K CA -0.530 55.398 56.287 -0.599 0.000 0.969 433 K CB 0.550 32.777 32.500 -0.456 0.000 0.954 433 K HN 0.570 nan 8.250 nan 0.000 0.474 434 Q N 2.991 122.437 119.800 -0.591 0.000 2.286 434 Q HA 0.108 4.460 4.340 0.020 0.000 0.267 434 Q C -1.046 174.790 176.000 -0.273 0.000 1.028 434 Q CA 0.700 56.235 55.803 -0.447 0.000 0.901 434 Q CB 1.004 29.355 28.738 -0.646 0.000 1.183 434 Q HN 0.429 nan 8.270 nan 0.000 0.392 435 E N 2.074 122.170 120.200 -0.172 0.000 2.293 435 E HA 0.410 4.772 4.350 0.020 0.000 0.270 435 E C -0.637 175.931 176.600 -0.053 0.000 0.879 435 E CA -0.748 55.591 56.400 -0.102 0.000 0.756 435 E CB 1.992 31.637 29.700 -0.091 0.000 1.208 435 E HN 0.465 nan 8.360 nan 0.000 0.428 436 I N 2.439 122.994 120.570 -0.025 0.000 2.379 436 I HA 0.140 4.323 4.170 0.020 0.000 0.290 436 I C 0.494 176.609 176.117 -0.004 0.000 1.063 436 I CA 0.181 61.480 61.300 -0.001 0.000 1.351 436 I CB 0.314 38.322 38.000 0.014 0.000 1.410 436 I HN 0.440 nan 8.210 nan 0.000 0.505 437 K N 4.806 125.207 120.400 0.002 0.000 2.262 437 K HA 0.634 4.966 4.320 0.020 0.000 0.282 437 K C 0.019 176.628 176.600 0.016 0.000 1.066 437 K CA -0.499 55.791 56.287 0.004 0.000 0.901 437 K CB 0.574 33.075 32.500 0.001 0.000 1.089 437 K HN 0.741 nan 8.250 nan 0.000 0.476 438 E N 0.876 121.085 120.200 0.015 0.000 2.194 438 E HA 0.550 4.912 4.350 0.020 0.000 0.284 438 E C -0.010 176.604 176.600 0.024 0.000 1.035 438 E CA -0.043 56.371 56.400 0.023 0.000 0.836 438 E CB 1.132 30.844 29.700 0.020 0.000 1.070 438 E HN 0.872 nan 8.360 nan 0.000 0.401 439 S N 0.728 116.448 115.700 0.035 0.000 2.840 439 S HA 0.774 5.256 4.470 0.020 0.000 0.307 439 S C -1.345 173.286 174.600 0.051 0.000 1.180 439 S CA -0.168 58.053 58.200 0.036 0.000 0.846 439 S CB 1.653 64.876 63.200 0.039 0.000 1.233 439 S HN 0.797 nan 8.310 nan 0.000 0.548 440 V N 2.011 121.957 119.914 0.053 0.000 2.686 440 V HA 0.582 4.714 4.120 0.020 0.000 0.306 440 V C -1.351 174.803 176.094 0.100 0.000 1.065 440 V CA -0.617 61.725 62.300 0.070 0.000 0.894 440 V CB 1.552 33.393 31.823 0.030 0.000 1.004 440 V HN 0.756 nan 8.190 nan 0.000 0.424 441 F N 3.451 123.407 119.950 0.009 0.000 2.443 441 F HA 0.775 5.309 4.527 0.012 0.000 0.335 441 F C 0.163 175.980 175.800 0.030 0.000 1.104 441 F CA -0.023 57.989 58.000 0.019 0.000 1.013 441 F CB 1.913 40.926 39.000 0.022 0.000 1.136 441 F HN 0.434 nan 8.300 nan 0.000 0.470 442 S N 3.999 119.486 115.700 -0.355 0.000 2.677 442 S HA 0.712 5.194 4.470 0.020 0.000 0.283 442 S C -1.284 173.205 174.600 -0.184 0.000 1.159 442 S CA -0.250 57.894 58.200 -0.093 0.000 1.001 442 S CB 0.737 63.885 63.200 -0.086 0.000 1.032 442 S HN 1.013 nan 8.310 nan 0.000 0.487 443 S N 3.757 119.512 115.700 0.092 0.000 2.570 443 S HA 0.455 4.937 4.470 0.020 0.000 0.270 443 S C 0.559 175.186 174.600 0.044 0.000 1.149 443 S CA -0.804 57.422 58.200 0.043 0.000 0.837 443 S CB 1.515 64.779 63.200 0.107 0.000 1.124 443 S HN 0.703 nan 8.310 nan 0.000 0.465 444 K N 0.923 121.311 120.400 -0.020 0.000 2.032 444 K HA -0.108 4.224 4.320 0.020 0.000 0.209 444 K C 2.115 178.684 176.600 -0.052 0.000 1.048 444 K CA 1.814 58.086 56.287 -0.026 0.000 0.927 444 K CB -0.879 31.600 32.500 -0.035 0.000 0.712 444 K HN 0.760 nan 8.250 nan 0.000 0.441 445 A N 0.116 122.834 122.820 -0.171 0.000 1.902 445 A HA -0.148 4.184 4.320 0.020 0.000 0.217 445 A C 1.452 178.919 177.584 -0.195 0.000 1.181 445 A CA 1.392 53.245 52.037 -0.306 0.000 0.623 445 A CB -0.552 18.045 19.000 -0.671 0.000 0.818 445 A HN 0.494 nan 8.150 nan 0.000 0.443 446 Y N -1.118 119.245 120.300 0.104 0.000 2.444 446 Y HA 0.430 4.991 4.550 0.018 0.000 0.249 446 Y C 1.552 177.497 175.900 0.075 0.000 1.134 446 Y CA -0.262 57.875 58.100 0.062 0.000 1.261 446 Y CB -0.551 37.918 38.460 0.016 0.000 1.143 446 Y HN 0.545 nan 8.280 nan 0.000 0.523 447 G N 0.165 109.096 108.800 0.217 0.000 2.698 447 G HA2 -0.147 3.825 3.960 0.020 0.000 0.225 447 G HA3 -0.147 3.825 3.960 0.020 0.000 0.225 447 G C -0.588 174.437 174.900 0.208 0.000 1.345 447 G CA -0.451 44.745 45.100 0.160 0.000 0.871 447 G HN 0.074 nan 8.290 nan 0.000 0.540 448 T N 1.153 115.790 114.554 0.139 0.000 2.841 448 T HA 0.778 5.140 4.350 0.020 0.000 0.285 448 T C 0.127 174.893 174.700 0.109 0.000 0.991 448 T CA 0.002 62.180 62.100 0.130 0.000 0.966 448 T CB 1.371 70.272 68.868 0.055 0.000 0.962 448 T HN 1.122 nan 8.240 nan 0.000 0.438 449 R N 1.400 121.979 120.500 0.131 0.000 2.709 449 R HA 0.418 4.770 4.340 0.020 0.000 0.270 449 R C -1.474 174.884 176.300 0.096 0.000 1.038 449 R CA -1.089 55.066 56.100 0.092 0.000 0.872 449 R CB 1.262 31.605 30.300 0.071 0.000 1.259 449 R HN 0.403 nan 8.270 nan 0.000 0.473 450 E N 1.571 121.811 120.200 0.068 0.000 2.392 450 E HA 0.127 4.489 4.350 0.020 0.000 0.264 450 E C -0.278 176.361 176.600 0.065 0.000 1.024 450 E CA 0.477 56.914 56.400 0.063 0.000 0.903 450 E CB 1.139 30.868 29.700 0.049 0.000 0.963 450 E HN 0.624 nan 8.360 nan 0.000 0.432 451 T N -0.311 114.283 114.554 0.067 0.000 2.924 451 T HA 0.469 4.831 4.350 0.020 0.000 0.291 451 T C -0.001 174.730 174.700 0.051 0.000 1.045 451 T CA -1.105 61.030 62.100 0.058 0.000 1.015 451 T CB 1.498 70.409 68.868 0.072 0.000 1.103 451 T HN 0.322 nan 8.240 nan 0.000 0.496 452 K N 1.568 121.997 120.400 0.049 0.000 3.202 452 K HA 0.260 4.592 4.320 0.020 0.000 0.206 452 K C -0.443 176.187 176.600 0.050 0.000 1.142 452 K CA -0.726 55.591 56.287 0.050 0.000 0.979 452 K CB 0.264 32.800 32.500 0.061 0.000 0.863 452 K HN 0.453 nan 8.250 nan 0.000 0.479 453 N N 1.243 119.968 118.700 0.043 0.000 2.412 453 N HA 0.012 4.764 4.740 0.020 0.000 0.254 453 N C -0.372 175.157 175.510 0.031 0.000 1.232 453 N CA 0.280 53.354 53.050 0.041 0.000 0.880 453 N CB 1.000 39.509 38.487 0.035 0.000 1.076 453 N HN -0.061 nan 8.380 nan 0.000 0.458 454 V N 2.669 122.605 119.914 0.037 0.000 2.495 454 V HA 0.204 4.336 4.120 0.020 0.000 0.298 454 V C 0.108 176.193 176.094 -0.014 0.000 1.031 454 V CA -1.200 61.106 62.300 0.011 0.000 0.871 454 V CB 1.648 33.496 31.823 0.041 0.000 0.988 454 V HN 0.702 nan 8.190 nan 0.000 0.432 455 N N 5.701 124.366 118.700 -0.058 0.000 2.406 455 N HA 0.148 4.900 4.740 0.020 0.000 0.265 455 N C -0.632 174.787 175.510 -0.151 0.000 1.203 455 N CA 0.073 53.071 53.050 -0.086 0.000 0.945 455 N CB 0.883 39.313 38.487 -0.095 0.000 1.165 455 N HN 0.641 nan 8.380 nan 0.000 0.485 456 I N 1.715 122.208 120.570 -0.128 0.000 2.479 456 I HA 0.083 4.265 4.170 0.020 0.000 0.279 456 I C -0.544 175.441 176.117 -0.220 0.000 1.102 456 I CA -0.880 60.310 61.300 -0.183 0.000 1.196 456 I CB -0.059 37.902 38.000 -0.065 0.000 1.427 456 I HN 0.251 nan 8.210 nan 0.000 0.503 457 D N 4.495 124.735 120.400 -0.266 0.000 2.531 457 D HA 0.235 4.888 4.640 0.020 0.000 0.239 457 D C 1.329 177.225 176.300 -0.674 0.000 1.144 457 D CA 1.213 55.001 54.000 -0.353 0.000 0.869 457 D CB 0.598 41.254 40.800 -0.240 0.000 1.160 457 D HN 0.779 nan 8.370 nan 0.000 0.484 458 G N 2.137 110.375 108.800 -0.936 0.000 2.179 458 G HA2 -0.326 3.646 3.960 0.020 0.000 0.260 458 G HA3 -0.326 3.646 3.960 0.020 0.000 0.260 458 G C 0.191 174.777 174.900 -0.523 0.000 0.977 458 G CA -0.174 44.082 45.100 -1.406 0.000 0.641 458 G HN 0.546 nan 8.290 nan 0.000 0.533 459 R N -0.334 119.972 120.500 -0.324 0.000 2.637 459 R HA 0.704 5.056 4.340 0.020 0.000 0.291 459 R C 0.329 176.575 176.300 -0.089 0.000 0.963 459 R CA -0.924 55.079 56.100 -0.161 0.000 0.901 459 R CB 1.534 31.765 30.300 -0.114 0.000 1.160 459 R HN 0.178 nan 8.270 nan 0.000 0.457 460 L N 2.065 123.246 121.223 -0.070 0.000 2.439 460 L HA 0.259 4.612 4.340 0.020 0.000 0.261 460 L C 0.268 177.162 176.870 0.040 0.000 1.153 460 L CA -0.275 54.553 54.840 -0.021 0.000 0.808 460 L CB 0.653 42.605 42.059 -0.178 0.000 1.126 460 L HN 0.413 nan 8.230 nan 0.000 0.460 461 Q N 2.426 122.303 119.800 0.129 0.000 2.365 461 Q HA 0.594 4.946 4.340 0.020 0.000 0.269 461 Q C -1.085 175.048 176.000 0.221 0.000 1.061 461 Q CA -0.541 55.357 55.803 0.158 0.000 0.816 461 Q CB 3.048 31.880 28.738 0.157 0.000 1.325 461 Q HN 0.451 nan 8.270 nan 0.000 0.446 462 L N 2.729 124.061 121.223 0.181 0.000 2.514 462 L HA 0.277 4.629 4.340 0.020 0.000 0.257 462 L C -1.373 175.566 176.870 0.114 0.000 1.101 462 L CA -0.504 54.448 54.840 0.188 0.000 0.911 462 L CB 1.123 43.285 42.059 0.172 0.000 1.162 462 L HN 0.625 nan 8.230 nan 0.000 0.477 463 D N 3.574 124.033 120.400 0.097 0.000 2.338 463 D HA 0.044 4.696 4.640 0.020 0.000 0.255 463 D C 1.107 177.409 176.300 0.004 0.000 1.237 463 D CA -0.296 53.723 54.000 0.031 0.000 0.883 463 D CB 1.260 42.060 40.800 0.001 0.000 1.087 463 D HN 0.364 nan 8.370 nan 0.000 0.485 464 L N 4.159 125.386 121.223 0.008 0.000 2.265 464 L HA -0.154 4.198 4.340 0.020 0.000 0.215 464 L C 2.073 178.926 176.870 -0.028 0.000 1.117 464 L CA 0.705 55.600 54.840 0.093 0.000 0.782 464 L CB -0.897 41.312 42.059 0.250 0.000 0.914 464 L HN 0.514 nan 8.230 nan 0.000 0.441 465 L N -0.060 120.831 121.223 -0.554 0.000 2.046 465 L HA -0.199 4.154 4.340 0.020 0.000 0.208 465 L C 2.589 179.318 176.870 -0.235 0.000 1.077 465 L CA 1.720 56.146 54.840 -0.690 0.000 0.747 465 L CB -0.569 40.945 42.059 -0.908 0.000 0.896 465 L HN 0.258 nan 8.230 nan 0.000 0.432 466 Q N -1.181 118.525 119.800 -0.157 0.000 2.083 466 Q HA -0.193 4.159 4.340 0.020 0.000 0.198 466 Q C 2.253 178.230 176.000 -0.038 0.000 0.969 466 Q CA 1.765 57.500 55.803 -0.113 0.000 0.838 466 Q CB -0.708 27.979 28.738 -0.085 0.000 0.900 466 Q HN 0.559 nan 8.270 nan 0.000 0.436 467 F N 1.669 121.569 119.950 -0.082 0.000 2.046 467 F HA -0.202 4.336 4.527 0.019 0.000 0.297 467 F C 2.141 177.955 175.800 0.023 0.000 1.123 467 F CA 1.321 59.283 58.000 -0.063 0.000 1.199 467 F CB -0.318 38.616 39.000 -0.110 0.000 0.972 467 F HN -0.071 nan 8.300 nan 0.000 0.474 468 I N 0.101 120.796 120.570 0.208 0.000 2.226 468 I HA -0.335 3.847 4.170 0.020 0.000 0.245 468 I C 2.421 178.688 176.117 0.249 0.000 1.100 468 I CA 1.478 62.966 61.300 0.313 0.000 1.374 468 I CB -0.719 37.588 38.000 0.512 0.000 1.057 468 I HN 0.315 nan 8.210 nan 0.000 0.413 469 Q N 0.271 120.063 119.800 -0.012 0.000 2.096 469 Q HA -0.201 4.151 4.340 0.020 0.000 0.204 469 Q C 2.411 178.324 176.000 -0.145 0.000 0.982 469 Q CA 1.373 56.998 55.803 -0.297 0.000 0.850 469 Q CB -0.110 28.335 28.738 -0.489 0.000 0.901 469 Q HN 0.454 nan 8.270 nan 0.000 0.422 470 R N 0.164 120.548 120.500 -0.194 0.000 2.090 470 R HA -0.074 4.279 4.340 0.020 0.000 0.228 470 R C 1.490 177.701 176.300 -0.148 0.000 1.110 470 R CA 0.879 56.861 56.100 -0.198 0.000 0.973 470 R CB 0.177 30.294 30.300 -0.305 0.000 0.869 470 R HN 0.251 nan 8.270 nan 0.000 0.440 471 E N -1.068 118.964 120.200 -0.280 0.000 2.476 471 E HA 0.092 4.454 4.350 0.020 0.000 0.199 471 E C -0.440 175.837 176.600 -0.537 0.000 1.021 471 E CA 0.285 56.407 56.400 -0.462 0.000 0.907 471 E CB 0.562 29.747 29.700 -0.858 0.000 0.974 471 E HN 0.200 nan 8.360 nan 0.000 0.489 472 Y N -0.170 120.159 120.300 0.048 0.000 2.524 472 Y HA 0.459 5.020 4.550 0.019 0.000 0.347 472 Y C 0.388 176.419 175.900 0.218 0.000 1.005 472 Y CA -0.940 57.255 58.100 0.158 0.000 1.025 472 Y CB 1.409 40.037 38.460 0.280 0.000 1.275 472 Y HN -0.318 nan 8.280 nan 0.000 0.460 473 K N 3.829 124.402 120.400 0.290 0.000 2.292 473 K HA 0.786 5.118 4.320 0.020 0.000 0.270 473 K C -1.414 175.226 176.600 0.066 0.000 1.062 473 K CA -0.322 56.090 56.287 0.209 0.000 0.916 473 K CB -0.055 32.518 32.500 0.121 0.000 1.166 473 K HN 0.711 nan 8.250 nan 0.000 0.458 474 L N 0.956 122.125 121.223 -0.090 0.000 2.333 474 L HA 0.561 4.914 4.340 0.020 0.000 0.263 474 L C 1.243 177.900 176.870 -0.355 0.000 1.014 474 L CA -1.360 53.233 54.840 -0.411 0.000 0.820 474 L CB 2.059 43.629 42.059 -0.815 0.000 1.352 474 L HN 0.527 nan 8.230 nan 0.000 0.421 475 R N 0.075 120.394 120.500 -0.302 0.000 2.148 475 R HA 0.108 4.461 4.340 0.020 0.000 0.223 475 R C 0.309 176.504 176.300 -0.176 0.000 1.088 475 R CA 0.436 56.431 56.100 -0.175 0.000 0.985 475 R CB 0.191 30.409 30.300 -0.136 0.000 0.880 475 R HN 0.618 nan 8.270 nan 0.000 0.451 476 S N -1.362 114.146 115.700 -0.321 0.000 2.536 476 S HA 0.388 4.870 4.470 0.020 0.000 0.271 476 S C -1.112 173.274 174.600 -0.357 0.000 1.134 476 S CA -0.609 57.465 58.200 -0.210 0.000 0.897 476 S CB 0.941 64.073 63.200 -0.112 0.000 1.094 476 S HN 0.155 nan 8.310 nan 0.000 0.473 477 Y N 2.012 122.339 120.300 0.045 0.000 2.720 477 Y HA 0.217 4.781 4.550 0.023 0.000 0.268 477 Y C 1.401 177.421 175.900 0.200 0.000 1.142 477 Y CA -0.430 57.747 58.100 0.127 0.000 1.193 477 Y CB 0.299 38.836 38.460 0.128 0.000 1.176 477 Y HN 0.701 nan 8.280 nan 0.000 0.542 478 T N -2.426 112.244 114.554 0.194 0.000 2.898 478 T HA 0.039 4.401 4.350 0.020 0.000 0.301 478 T C 1.274 175.987 174.700 0.022 0.000 1.049 478 T CA -0.552 61.637 62.100 0.148 0.000 1.095 478 T CB 1.211 70.113 68.868 0.056 0.000 0.976 478 T HN 0.230 nan 8.240 nan 0.000 0.539 479 L N 3.037 124.183 121.223 -0.128 0.000 2.013 479 L HA -0.061 4.291 4.340 0.020 0.000 0.212 479 L C 2.835 179.548 176.870 -0.261 0.000 1.073 479 L CA 2.774 57.309 54.840 -0.509 0.000 0.753 479 L CB -1.739 40.040 42.059 -0.467 0.000 0.890 479 L HN 0.985 nan 8.230 nan 0.000 0.432 480 N N -0.633 117.986 118.700 -0.135 0.000 2.061 480 N HA -0.196 4.556 4.740 0.020 0.000 0.193 480 N C 1.976 177.439 175.510 -0.078 0.000 1.030 480 N CA 2.550 55.548 53.050 -0.087 0.000 0.856 480 N CB -1.104 37.358 38.487 -0.041 0.000 1.023 480 N HN 0.678 nan 8.380 nan 0.000 0.424 481 A N 0.544 123.322 122.820 -0.071 0.000 1.877 481 A HA 0.059 4.391 4.320 0.020 0.000 0.216 481 A C 2.759 180.283 177.584 -0.100 0.000 1.186 481 A CA 2.756 54.742 52.037 -0.085 0.000 0.620 481 A CB -0.936 18.006 19.000 -0.096 0.000 0.822 481 A HN 1.235 nan 8.150 nan 0.000 0.443 482 V N -2.748 117.119 119.914 -0.078 0.000 2.667 482 V HA -0.097 4.035 4.120 0.020 0.000 0.252 482 V C 2.088 178.218 176.094 0.061 0.000 1.065 482 V CA 2.384 64.676 62.300 -0.012 0.000 1.083 482 V CB -0.867 31.069 31.823 0.187 0.000 0.692 482 V HN 0.345 nan 8.190 nan 0.000 0.468 483 S N 1.313 116.999 115.700 -0.023 0.000 2.368 483 S HA 0.034 4.516 4.470 0.020 0.000 0.224 483 S C 2.287 176.878 174.600 -0.016 0.000 1.029 483 S CA 1.557 59.746 58.200 -0.018 0.000 0.988 483 S CB -0.573 62.575 63.200 -0.086 0.000 0.838 483 S HN 0.911 nan 8.310 nan 0.000 0.462 484 A N 1.088 123.886 122.820 -0.037 0.000 1.902 484 A HA -0.160 4.172 4.320 0.020 0.000 0.217 484 A C 1.898 179.453 177.584 -0.048 0.000 1.181 484 A CA 2.033 54.046 52.037 -0.041 0.000 0.623 484 A CB -0.885 18.089 19.000 -0.042 0.000 0.818 484 A HN 0.626 nan 8.150 nan 0.000 0.443 485 H N -1.877 117.074 119.070 -0.198 0.000 2.307 485 H HA -0.029 4.539 4.556 0.021 0.000 0.303 485 H C 1.429 176.592 175.328 -0.274 0.000 1.073 485 H CA 2.181 58.028 56.048 -0.334 0.000 1.338 485 H CB -0.189 29.209 29.762 -0.606 0.000 1.389 485 H HN 0.421 nan 8.280 nan 0.000 0.503 486 F N -0.762 119.195 119.950 0.012 0.000 2.446 486 F HA 0.169 4.707 4.527 0.019 0.000 0.292 486 F C 1.850 177.626 175.800 -0.039 0.000 1.096 486 F CA 0.450 58.508 58.000 0.097 0.000 1.438 486 F CB 0.183 39.293 39.000 0.184 0.000 1.107 486 F HN 0.121 nan 8.300 nan 0.000 0.546 487 L N -1.457 119.810 121.223 0.073 0.000 2.638 487 L HA 0.375 4.727 4.340 0.020 0.000 0.232 487 L C 1.491 178.307 176.870 -0.090 0.000 1.099 487 L CA 0.602 55.404 54.840 -0.063 0.000 0.883 487 L CB -0.176 41.857 42.059 -0.044 0.000 1.136 487 L HN 0.261 nan 8.230 nan 0.000 0.492 488 G N 0.999 109.757 108.800 -0.070 0.000 2.137 488 G HA2 -0.251 3.721 3.960 0.020 0.000 0.237 488 G HA3 -0.251 3.721 3.960 0.020 0.000 0.237 488 G C 0.007 174.877 174.900 -0.051 0.000 1.002 488 G CA -0.036 45.024 45.100 -0.068 0.000 0.702 488 G HN 0.298 nan 8.290 nan 0.000 0.515 489 E N 0.187 120.360 120.200 -0.045 0.000 2.392 489 E HA 0.633 4.995 4.350 0.020 0.000 0.259 489 E C 1.148 177.728 176.600 -0.034 0.000 1.108 489 E CA 0.895 57.273 56.400 -0.037 0.000 0.916 489 E CB 0.300 29.976 29.700 -0.040 0.000 0.989 489 E HN 0.845 nan 8.360 nan 0.000 0.432 498 I N 0.052 120.570 120.570 -0.087 0.000 4.057 498 I HA 0.407 4.589 4.170 0.020 0.000 0.334 498 I C 1.697 177.754 176.117 -0.100 0.000 1.308 498 I CA -0.073 61.176 61.300 -0.084 0.000 1.125 498 I CB -0.050 37.897 38.000 -0.090 0.000 1.034 498 I HN 0.399 nan 8.210 nan 0.000 0.401 499 I N 1.700 122.194 120.570 -0.127 0.000 2.087 499 I HA -0.303 3.879 4.170 0.020 0.000 0.240 499 I C 2.596 178.663 176.117 -0.084 0.000 1.054 499 I CA 1.990 63.209 61.300 -0.134 0.000 1.311 499 I CB -0.460 37.455 38.000 -0.143 0.000 1.024 499 I HN 0.283 nan 8.210 nan 0.000 0.402 500 S N 0.180 115.841 115.700 -0.065 0.000 2.399 500 S HA -0.173 4.309 4.470 0.020 0.000 0.231 500 S C 1.546 176.124 174.600 -0.036 0.000 1.022 500 S CA 1.221 59.395 58.200 -0.043 0.000 0.983 500 S CB -0.320 62.860 63.200 -0.033 0.000 0.803 500 S HN 0.432 nan 8.310 nan 0.000 0.480 501 D N 1.656 122.031 120.400 -0.041 0.000 2.097 501 D HA -0.019 4.633 4.640 0.020 0.000 0.197 501 D C 1.972 178.252 176.300 -0.034 0.000 0.984 501 D CA 0.766 54.745 54.000 -0.034 0.000 0.826 501 D CB -0.390 40.389 40.800 -0.035 0.000 0.973 501 D HN 0.309 nan 8.370 nan 0.000 0.460 502 L N 0.615 121.811 121.223 -0.046 0.000 2.043 502 L HA -0.251 4.101 4.340 0.020 0.000 0.212 502 L C 2.590 179.442 176.870 -0.030 0.000 1.075 502 L CA 1.099 55.914 54.840 -0.042 0.000 0.752 502 L CB -0.421 41.602 42.059 -0.059 0.000 0.891 502 L HN 0.026 nan 8.230 nan 0.000 0.432 503 Q N 0.923 120.705 119.800 -0.030 0.000 2.124 503 Q HA -0.187 4.166 4.340 0.020 0.000 0.202 503 Q C 1.411 177.404 176.000 -0.011 0.000 0.977 503 Q CA 1.831 57.624 55.803 -0.017 0.000 0.850 503 Q CB -0.233 28.495 28.738 -0.018 0.000 0.901 503 Q HN 0.558 nan 8.270 nan 0.000 0.429 504 N N -0.649 118.042 118.700 -0.013 0.000 2.322 504 N HA 0.167 4.919 4.740 0.020 0.000 0.194 504 N C 0.631 176.135 175.510 -0.009 0.000 1.126 504 N CA 0.171 53.215 53.050 -0.009 0.000 0.845 504 N CB 0.474 38.956 38.487 -0.009 0.000 0.976 504 N HN 0.295 nan 8.380 nan 0.000 0.475 505 G N 0.841 109.634 108.800 -0.012 0.000 3.142 505 G HA2 0.091 4.063 3.960 0.020 0.000 0.178 505 G HA3 0.091 4.063 3.960 0.020 0.000 0.178 505 G C -0.001 174.894 174.900 -0.009 0.000 1.941 505 G CA 0.361 45.454 45.100 -0.011 0.000 0.902 505 G HN 0.366 nan 8.290 nan 0.000 0.517 506 D N -3.634 116.760 120.400 -0.009 0.000 2.798 506 D HA 0.559 5.211 4.640 0.020 0.000 0.308 506 D C 1.340 177.635 176.300 -0.009 0.000 1.187 506 D CA 0.252 54.247 54.000 -0.008 0.000 1.033 506 D CB 0.494 41.288 40.800 -0.009 0.000 1.445 506 D HN 0.379 nan 8.370 nan 0.000 0.550 507 S N -0.751 114.943 115.700 -0.010 0.000 2.400 507 S HA -0.192 4.290 4.470 0.020 0.000 0.232 507 S C 1.565 176.157 174.600 -0.014 0.000 1.025 507 S CA 1.349 59.541 58.200 -0.013 0.000 0.993 507 S CB -0.700 62.490 63.200 -0.016 0.000 0.808 507 S HN 0.464 nan 8.310 nan 0.000 0.478 508 E N 0.468 120.660 120.200 -0.014 0.000 2.076 508 E HA -0.080 4.283 4.350 0.020 0.000 0.190 508 E C 2.613 179.205 176.600 -0.013 0.000 0.979 508 E CA 1.634 58.026 56.400 -0.014 0.000 0.807 508 E CB -0.462 29.230 29.700 -0.013 0.000 0.761 508 E HN 0.841 nan 8.360 nan 0.000 0.454 509 T N -0.983 113.563 114.554 -0.013 0.000 2.821 509 T HA -0.060 4.302 4.350 0.020 0.000 0.267 509 T C 1.946 176.637 174.700 -0.015 0.000 1.046 509 T CA 0.686 62.776 62.100 -0.016 0.000 1.139 509 T CB -0.150 68.707 68.868 -0.019 0.000 0.871 509 T HN 0.035 nan 8.240 nan 0.000 0.454 510 R N 0.574 121.067 120.500 -0.010 0.000 2.092 510 R HA 0.103 4.455 4.340 0.020 0.000 0.231 510 R C 2.888 179.188 176.300 0.001 0.000 1.119 510 R CA 1.113 57.210 56.100 -0.004 0.000 0.970 510 R CB -0.333 29.967 30.300 0.000 0.000 0.864 510 R HN 0.412 nan 8.270 nan 0.000 0.440 511 R N 1.339 121.836 120.500 -0.005 0.000 2.080 511 R HA -0.189 4.163 4.340 0.020 0.000 0.236 511 R C 2.344 178.648 176.300 0.007 0.000 1.137 511 R CA 1.830 57.927 56.100 -0.005 0.000 0.943 511 R CB -0.220 30.071 30.300 -0.015 0.000 0.846 511 R HN 0.098 nan 8.270 nan 0.000 0.431 512 R N 0.423 120.926 120.500 0.004 0.000 2.113 512 R HA -0.204 4.148 4.340 0.020 0.000 0.244 512 R C 2.319 178.639 176.300 0.034 0.000 1.142 512 R CA 1.967 58.074 56.100 0.013 0.000 0.953 512 R CB -0.539 29.759 30.300 -0.003 0.000 0.860 512 R HN 0.307 nan 8.270 nan 0.000 0.438 513 L N 0.714 121.946 121.223 0.016 0.000 2.083 513 L HA -0.063 4.289 4.340 0.020 0.000 0.209 513 L C 2.264 179.196 176.870 0.102 0.000 1.083 513 L CA 2.150 57.007 54.840 0.027 0.000 0.752 513 L CB -0.711 41.342 42.059 -0.011 0.000 0.899 513 L HN 0.323 nan 8.230 nan 0.000 0.433 514 A N -0.939 121.921 122.820 0.067 0.000 1.930 514 A HA -0.102 4.231 4.320 0.020 0.000 0.217 514 A C 2.320 179.946 177.584 0.070 0.000 1.175 514 A CA 1.796 53.873 52.037 0.066 0.000 0.627 514 A CB -1.189 17.828 19.000 0.029 0.000 0.815 514 A HN 0.479 nan 8.150 nan 0.000 0.443 515 V N -2.519 117.434 119.914 0.065 0.000 2.343 515 V HA -0.287 3.845 4.120 0.020 0.000 0.247 515 V C 2.290 178.434 176.094 0.084 0.000 1.051 515 V CA 2.177 64.509 62.300 0.052 0.000 1.036 515 V CB -1.378 30.468 31.823 0.039 0.000 0.654 515 V HN 0.578 nan 8.190 nan 0.000 0.451 516 Y N 0.423 120.722 120.300 -0.002 0.000 2.145 516 Y HA -0.244 4.318 4.550 0.019 0.000 0.286 516 Y C 2.804 178.709 175.900 0.009 0.000 1.145 516 Y CA 2.154 60.254 58.100 0.000 0.000 1.148 516 Y CB -0.778 37.678 38.460 -0.006 0.000 0.981 516 Y HN 0.385 nan 8.280 nan 0.000 0.507 517 C N 0.438 119.846 119.300 0.180 0.000 2.446 517 C HA -0.135 4.337 4.460 0.020 0.000 0.277 517 C C 2.738 177.735 174.990 0.012 0.000 1.275 517 C CA 1.072 60.141 59.018 0.086 0.000 1.727 517 C CB -1.605 26.219 27.740 0.140 0.000 2.010 517 C HN 0.749 nan 8.230 nan 0.000 0.486 518 L N 0.757 121.998 121.223 0.030 0.000 2.046 518 L HA -0.165 4.187 4.340 0.020 0.000 0.208 518 L C 2.726 179.611 176.870 0.024 0.000 1.077 518 L CA 2.141 56.999 54.840 0.030 0.000 0.747 518 L CB -0.814 41.252 42.059 0.011 0.000 0.896 518 L HN 0.464 nan 8.230 nan 0.000 0.432 519 K N -0.243 120.145 120.400 -0.021 0.000 2.057 519 K HA -0.229 4.103 4.320 0.020 0.000 0.207 519 K C 1.527 178.096 176.600 -0.052 0.000 1.049 519 K CA 1.855 58.135 56.287 -0.011 0.000 0.931 519 K CB 0.002 32.463 32.500 -0.065 0.000 0.714 519 K HN 0.252 nan 8.250 nan 0.000 0.440 520 D N 0.104 120.397 120.400 -0.177 0.000 2.264 520 D HA -0.090 4.562 4.640 0.020 0.000 0.208 520 D C 1.515 177.779 176.300 -0.060 0.000 0.966 520 D CA 1.041 54.931 54.000 -0.184 0.000 0.864 520 D CB 0.068 40.694 40.800 -0.289 0.000 0.933 520 D HN 0.374 nan 8.370 nan 0.000 0.499 521 A N -0.601 122.226 122.820 0.011 0.000 1.975 521 A HA -0.121 4.211 4.320 0.020 0.000 0.215 521 A C 1.997 179.657 177.584 0.127 0.000 1.170 521 A CA 0.549 52.631 52.037 0.076 0.000 0.656 521 A CB -0.536 18.539 19.000 0.125 0.000 0.821 521 A HN 0.265 nan 8.150 nan 0.000 0.449 522 Y N 0.510 120.801 120.300 -0.015 0.000 2.243 522 Y HA 0.026 4.588 4.550 0.020 0.000 0.293 522 Y C 1.848 177.737 175.900 -0.019 0.000 1.124 522 Y CA 1.049 59.143 58.100 -0.010 0.000 1.159 522 Y CB -0.338 38.111 38.460 -0.019 0.000 1.008 522 Y HN 0.193 nan 8.280 nan 0.000 0.527 523 L N 0.299 121.454 121.223 -0.113 0.000 2.013 523 L HA -0.214 4.138 4.340 0.020 0.000 0.212 523 L C -0.440 176.324 176.870 -0.176 0.000 1.073 523 L CA 1.710 56.428 54.840 -0.202 0.000 0.753 523 L CB -1.804 40.165 42.059 -0.151 0.000 0.890 523 L HN 0.184 nan 8.230 nan 0.000 0.432 524 P HA -0.198 nan 4.420 nan 0.000 0.216 524 P C 1.704 178.971 177.300 -0.056 0.000 1.150 524 P CA 1.124 64.224 63.100 -0.001 0.000 0.837 524 P CB 0.067 31.807 31.700 0.067 0.000 0.786 525 L N -0.416 120.744 121.223 -0.106 0.000 2.056 525 L HA -0.082 4.270 4.340 0.020 0.000 0.207 525 L C 2.321 179.070 176.870 -0.202 0.000 1.078 525 L CA 1.757 56.526 54.840 -0.119 0.000 0.749 525 L CB -0.787 41.233 42.059 -0.066 0.000 0.901 525 L HN -0.214 nan 8.230 nan 0.000 0.433 526 R N -0.679 119.597 120.500 -0.373 0.000 2.083 526 R HA -0.166 4.187 4.340 0.020 0.000 0.237 526 R C 2.286 178.488 176.300 -0.163 0.000 1.137 526 R CA 1.877 57.785 56.100 -0.319 0.000 0.951 526 R CB -0.733 29.313 30.300 -0.423 0.000 0.851 526 R HN 0.379 nan 8.270 nan 0.000 0.434 527 L N 0.405 121.552 121.223 -0.127 0.000 2.012 527 L HA -0.237 4.115 4.340 0.020 0.000 0.210 527 L C 2.799 179.612 176.870 -0.095 0.000 1.073 527 L CA 1.419 56.221 54.840 -0.064 0.000 0.748 527 L CB -0.397 41.663 42.059 0.002 0.000 0.891 527 L HN 0.303 nan 8.230 nan 0.000 0.431 528 M N -0.634 118.897 119.600 -0.115 0.000 2.080 528 M HA -0.220 4.272 4.480 0.020 0.000 0.260 528 M C 2.257 178.476 176.300 -0.136 0.000 1.068 528 M CA 1.745 56.941 55.300 -0.172 0.000 1.109 528 M CB -0.072 32.449 32.600 -0.131 0.000 1.342 528 M HN 0.200 nan 8.290 nan 0.000 0.405 529 E N 0.656 120.806 120.200 -0.084 0.000 2.047 529 E HA -0.160 4.203 4.350 0.020 0.000 0.191 529 E C 2.290 178.887 176.600 -0.005 0.000 0.987 529 E CA 1.908 58.283 56.400 -0.042 0.000 0.799 529 E CB -0.548 29.132 29.700 -0.033 0.000 0.752 529 E HN 0.632 nan 8.360 nan 0.000 0.449 530 K N 1.383 121.787 120.400 0.007 0.000 2.057 530 K HA -0.028 4.304 4.320 0.020 0.000 0.206 530 K C 2.221 178.944 176.600 0.205 0.000 1.050 530 K CA 1.190 57.550 56.287 0.122 0.000 0.935 530 K CB -1.026 31.518 32.500 0.073 0.000 0.715 530 K HN 0.098 nan 8.250 nan 0.000 0.439 531 L N -0.003 121.253 121.223 0.055 0.000 2.599 531 L HA 0.207 4.559 4.340 0.020 0.000 0.230 531 L C 0.547 177.423 176.870 0.011 0.000 1.141 531 L CA 0.077 54.920 54.840 0.005 0.000 0.877 531 L CB -0.621 41.411 42.059 -0.045 0.000 1.009 531 L HN 0.419 nan 8.230 nan 0.000 0.447 532 M N -0.966 118.622 119.600 -0.019 0.000 2.393 532 M HA -0.307 4.185 4.480 0.020 0.000 0.201 532 M C 1.410 177.645 176.300 -0.109 0.000 0.403 532 M CA 0.557 55.845 55.300 -0.020 0.000 0.471 532 M CB -1.635 30.993 32.600 0.048 0.000 1.669 532 M HN 0.370 nan 8.290 nan 0.000 0.864 533 A N 0.306 122.904 122.820 -0.370 0.000 1.877 533 A HA -0.095 4.237 4.320 0.020 0.000 0.216 533 A C 1.819 179.172 177.584 -0.385 0.000 1.186 533 A CA 1.985 53.487 52.037 -0.892 0.000 0.620 533 A CB -0.212 17.832 19.000 -1.594 0.000 0.822 533 A HN 0.627 nan 8.150 nan 0.000 0.443 534 L N -0.229 120.902 121.223 -0.152 0.000 2.109 534 L HA -0.048 4.304 4.340 0.020 0.000 0.207 534 L C 2.351 179.317 176.870 0.160 0.000 1.086 534 L CA 1.663 56.549 54.840 0.078 0.000 0.760 534 L CB -0.365 41.693 42.059 -0.002 0.000 0.910 534 L HN 0.146 nan 8.230 nan 0.000 0.437 535 V N 0.222 120.188 119.914 0.088 0.000 2.358 535 V HA -0.231 3.901 4.120 0.020 0.000 0.246 535 V C 2.275 178.471 176.094 0.171 0.000 1.047 535 V CA 1.858 64.230 62.300 0.120 0.000 1.035 535 V CB -0.887 30.986 31.823 0.084 0.000 0.658 535 V HN 0.489 nan 8.190 nan 0.000 0.452 536 N N -0.906 117.900 118.700 0.176 0.000 2.250 536 N HA -0.099 4.653 4.740 0.020 0.000 0.181 536 N C 1.746 177.482 175.510 0.377 0.000 1.017 536 N CA 1.097 54.288 53.050 0.236 0.000 0.866 536 N CB -0.387 38.239 38.487 0.232 0.000 0.985 536 N HN 0.425 nan 8.380 nan 0.000 0.429 537 Y N 1.797 122.197 120.300 0.167 0.000 2.263 537 Y HA -0.026 4.535 4.550 0.019 0.000 0.292 537 Y C 2.453 178.455 175.900 0.170 0.000 1.130 537 Y CA 0.630 58.794 58.100 0.106 0.000 1.179 537 Y CB -0.962 37.496 38.460 -0.004 0.000 0.998 537 Y HN 0.035 nan 8.280 nan 0.000 0.532 538 T N -0.222 114.601 114.554 0.447 0.000 2.635 538 T HA -0.284 4.078 4.350 0.020 0.000 0.267 538 T C 1.861 176.682 174.700 0.203 0.000 1.040 538 T CA 1.842 64.134 62.100 0.321 0.000 1.156 538 T CB -0.292 68.718 68.868 0.237 0.000 0.863 538 T HN 0.429 nan 8.240 nan 0.000 0.430 539 E N 0.119 120.429 120.200 0.183 0.000 2.070 539 E HA -0.222 4.140 4.350 0.020 0.000 0.197 539 E C 2.207 178.866 176.600 0.099 0.000 1.004 539 E CA 1.423 57.904 56.400 0.135 0.000 0.805 539 E CB -0.182 29.596 29.700 0.130 0.000 0.744 539 E HN 0.307 nan 8.360 nan 0.000 0.451 540 M N 0.735 120.390 119.600 0.092 0.000 2.117 540 M HA -0.105 4.387 4.480 0.020 0.000 0.262 540 M C 2.027 178.316 176.300 -0.018 0.000 1.065 540 M CA 1.989 57.298 55.300 0.014 0.000 1.114 540 M CB -0.393 32.169 32.600 -0.064 0.000 1.361 540 M HN 0.180 nan 8.290 nan 0.000 0.408 541 A N -0.074 122.739 122.820 -0.010 0.000 1.933 541 A HA -0.192 4.140 4.320 0.020 0.000 0.218 541 A C 2.260 179.851 177.584 0.012 0.000 1.175 541 A CA 1.966 53.995 52.037 -0.014 0.000 0.628 541 A CB -0.616 18.418 19.000 0.057 0.000 0.814 541 A HN 0.607 nan 8.150 nan 0.000 0.444 542 R N -0.924 119.606 120.500 0.049 0.000 2.062 542 R HA -0.027 4.326 4.340 0.020 0.000 0.229 542 R C 2.049 178.373 176.300 0.039 0.000 1.128 542 R CA 1.340 57.471 56.100 0.053 0.000 0.960 542 R CB -0.520 29.830 30.300 0.083 0.000 0.855 542 R HN 0.365 nan 8.270 nan 0.000 0.432 543 V N 0.827 120.765 119.914 0.039 0.000 2.343 543 V HA -0.219 3.913 4.120 0.020 0.000 0.247 543 V C 2.366 178.472 176.094 0.019 0.000 1.051 543 V CA 2.328 64.648 62.300 0.033 0.000 1.036 543 V CB -0.554 31.291 31.823 0.037 0.000 0.654 543 V HN 0.578 nan 8.190 nan 0.000 0.451 544 T N -3.274 111.283 114.554 0.005 0.000 3.057 544 T HA 0.306 4.668 4.350 0.020 0.000 0.254 544 T C 1.548 176.240 174.700 -0.012 0.000 1.094 544 T CA 0.882 62.980 62.100 -0.004 0.000 1.088 544 T CB 0.670 69.529 68.868 -0.014 0.000 0.934 544 T HN 0.972 nan 8.240 nan 0.000 0.497 545 G N 1.308 110.096 108.800 -0.020 0.000 2.143 545 G HA2 -0.211 3.761 3.960 0.020 0.000 0.249 545 G HA3 -0.211 3.761 3.960 0.020 0.000 0.249 545 G C 0.131 174.976 174.900 -0.091 0.000 0.981 545 G CA 0.151 45.229 45.100 -0.035 0.000 0.665 545 G HN 1.448 nan 8.290 nan 0.000 0.528 546 V N -2.595 117.246 119.914 -0.121 0.000 2.743 546 V HA 0.821 4.953 4.120 0.020 0.000 0.301 546 V C -1.716 174.187 176.094 -0.319 0.000 1.057 546 V CA -2.791 59.344 62.300 -0.275 0.000 1.006 546 V CB 1.492 33.199 31.823 -0.194 0.000 1.024 546 V HN 0.017 nan 8.190 nan 0.000 0.473 547 P HA 0.091 nan 4.420 nan 0.000 0.266 547 P C 0.394 177.625 177.300 -0.115 0.000 1.195 547 P CA 0.164 63.073 63.100 -0.318 0.000 0.768 547 P CB 0.208 31.628 31.700 -0.467 0.000 0.838 548 F N 3.264 123.168 119.950 -0.078 0.000 2.111 548 F HA -0.320 4.218 4.527 0.019 0.000 0.300 548 F C 2.170 178.001 175.800 0.053 0.000 1.088 548 F CA 2.530 60.530 58.000 -0.001 0.000 1.243 548 F CB -0.395 38.627 39.000 0.036 0.000 0.996 548 F HN 0.326 nan 8.300 nan 0.000 0.483 549 S N -1.135 114.752 115.700 0.312 0.000 2.447 549 S HA -0.218 4.264 4.470 0.020 0.000 0.233 549 S C 1.784 176.530 174.600 0.244 0.000 1.006 549 S CA 0.857 59.234 58.200 0.295 0.000 0.957 549 S CB -1.109 62.258 63.200 0.280 0.000 0.773 549 S HN 0.464 nan 8.310 nan 0.000 0.507 550 Y N 2.013 122.292 120.300 -0.036 0.000 2.373 550 Y HA 0.235 4.799 4.550 0.024 0.000 0.293 550 Y C 2.105 177.928 175.900 -0.128 0.000 1.129 550 Y CA -0.467 57.601 58.100 -0.054 0.000 1.226 550 Y CB -0.796 37.636 38.460 -0.046 0.000 1.000 550 Y HN 0.264 nan 8.280 nan 0.000 0.549 551 L N -1.040 120.113 121.223 -0.116 0.000 2.046 551 L HA -0.231 4.121 4.340 0.020 0.000 0.208 551 L C 1.997 178.723 176.870 -0.240 0.000 1.077 551 L CA 1.399 56.034 54.840 -0.342 0.000 0.747 551 L CB -0.614 40.932 42.059 -0.856 0.000 0.896 551 L HN 0.193 nan 8.230 nan 0.000 0.432 552 L N -1.241 119.904 121.223 -0.130 0.000 2.463 552 L HA 0.108 4.460 4.340 0.020 0.000 0.219 552 L C 2.469 179.257 176.870 -0.137 0.000 1.088 552 L CA 0.360 55.145 54.840 -0.091 0.000 0.849 552 L CB -0.232 41.849 42.059 0.036 0.000 1.012 552 L HN 0.146 nan 8.230 nan 0.000 0.468 553 A N -0.171 122.614 122.820 -0.057 0.000 2.095 553 A HA 0.149 4.481 4.320 0.020 0.000 0.212 553 A C 1.307 178.916 177.584 0.042 0.000 1.162 553 A CA 0.260 52.279 52.037 -0.030 0.000 0.753 553 A CB 0.150 19.159 19.000 0.015 0.000 0.840 553 A HN 0.215 nan 8.150 nan 0.000 0.468 554 R N -2.181 118.354 120.500 0.058 0.000 3.084 554 R HA 0.574 4.926 4.340 0.020 0.000 0.234 554 R C 0.382 176.866 176.300 0.306 0.000 1.433 554 R CA -0.284 55.937 56.100 0.202 0.000 1.053 554 R CB 0.782 31.076 30.300 -0.011 0.000 1.449 554 R HN 0.204 nan 8.270 nan 0.000 0.505 555 G N -0.635 108.365 108.800 0.333 0.000 2.990 555 G HA2 0.097 4.069 3.960 0.020 0.000 0.208 555 G HA3 0.097 4.069 3.960 0.020 0.000 0.208 555 G C 0.120 175.161 174.900 0.236 0.000 1.334 555 G CA -0.267 45.070 45.100 0.396 0.000 1.024 555 G HN 0.319 nan 8.290 nan 0.000 0.574 556 Q N -0.636 119.293 119.800 0.215 0.000 2.187 556 Q HA -0.045 4.307 4.340 0.020 0.000 0.199 556 Q C 2.558 178.635 176.000 0.128 0.000 0.957 556 Q CA 0.977 56.867 55.803 0.144 0.000 0.857 556 Q CB -0.172 28.640 28.738 0.123 0.000 0.929 556 Q HN 0.630 nan 8.270 nan 0.000 0.453 557 Q N 0.119 120.021 119.800 0.170 0.000 2.096 557 Q HA -0.160 4.192 4.340 0.020 0.000 0.204 557 Q C 2.032 178.097 176.000 0.108 0.000 0.982 557 Q CA 0.982 56.920 55.803 0.224 0.000 0.850 557 Q CB -0.174 28.752 28.738 0.314 0.000 0.901 557 Q HN 0.228 nan 8.270 nan 0.000 0.422 558 I N 1.128 121.762 120.570 0.107 0.000 2.394 558 I HA -0.216 3.966 4.170 0.020 0.000 0.251 558 I C 1.629 177.794 176.117 0.080 0.000 1.136 558 I CA 1.454 62.813 61.300 0.099 0.000 1.425 558 I CB -0.015 38.054 38.000 0.116 0.000 1.079 558 I HN 0.009 nan 8.210 nan 0.000 0.425 559 K N -0.581 119.856 120.400 0.062 0.000 2.057 559 K HA -0.093 4.240 4.320 0.020 0.000 0.206 559 K C 2.011 178.590 176.600 -0.036 0.000 1.050 559 K CA 1.625 57.925 56.287 0.022 0.000 0.935 559 K CB -0.306 32.205 32.500 0.018 0.000 0.715 559 K HN 0.202 nan 8.250 nan 0.000 0.439 560 V N 0.976 120.825 119.914 -0.108 0.000 2.295 560 V HA -0.239 3.894 4.120 0.020 0.000 0.246 560 V C 2.245 178.175 176.094 -0.272 0.000 1.049 560 V CA 1.534 63.675 62.300 -0.265 0.000 1.024 560 V CB -0.442 31.037 31.823 -0.574 0.000 0.648 560 V HN 0.086 nan 8.190 nan 0.000 0.447 561 V N 0.089 119.866 119.914 -0.227 0.000 2.287 561 V HA -0.302 3.830 4.120 0.020 0.000 0.248 561 V C 2.739 178.906 176.094 0.121 0.000 1.053 561 V CA 2.529 64.827 62.300 -0.004 0.000 1.027 561 V CB -0.873 30.996 31.823 0.076 0.000 0.646 561 V HN 0.667 nan 8.190 nan 0.000 0.447 562 S N -0.610 115.114 115.700 0.040 0.000 2.359 562 S HA -0.319 4.164 4.470 0.020 0.000 0.224 562 S C 2.041 176.690 174.600 0.082 0.000 1.035 562 S CA 2.240 60.466 58.200 0.044 0.000 1.018 562 S CB -0.320 62.880 63.200 0.000 0.000 0.876 562 S HN 0.726 nan 8.310 nan 0.000 0.448 563 Q N -0.119 119.706 119.800 0.041 0.000 2.096 563 Q HA -0.089 4.264 4.340 0.020 0.000 0.204 563 Q C 2.212 178.251 176.000 0.065 0.000 0.982 563 Q CA 1.506 57.333 55.803 0.041 0.000 0.850 563 Q CB -0.335 28.410 28.738 0.012 0.000 0.901 563 Q HN 0.441 nan 8.270 nan 0.000 0.422 564 L N -0.288 120.976 121.223 0.068 0.000 2.027 564 L HA -0.113 4.239 4.340 0.020 0.000 0.206 564 L C 1.895 178.810 176.870 0.075 0.000 1.074 564 L CA 1.660 56.535 54.840 0.058 0.000 0.745 564 L CB -0.553 41.519 42.059 0.022 0.000 0.898 564 L HN 0.129 nan 8.230 nan 0.000 0.433 565 F N -0.313 119.641 119.950 0.007 0.000 2.126 565 F HA -0.248 4.291 4.527 0.021 0.000 0.299 565 F C 2.592 178.413 175.800 0.036 0.000 1.096 565 F CA 1.449 59.468 58.000 0.032 0.000 1.255 565 F CB -0.260 38.764 39.000 0.041 0.000 0.997 565 F HN 0.025 nan 8.300 nan 0.000 0.479 566 R N 0.192 120.813 120.500 0.201 0.000 2.073 566 R HA -0.145 4.207 4.340 0.020 0.000 0.234 566 R C 2.182 178.528 176.300 0.077 0.000 1.134 566 R CA 1.249 57.420 56.100 0.119 0.000 0.952 566 R CB -0.291 30.060 30.300 0.085 0.000 0.850 566 R HN 0.079 nan 8.270 nan 0.000 0.433 567 K N 0.337 120.773 120.400 0.059 0.000 2.097 567 K HA -0.101 4.231 4.320 0.020 0.000 0.206 567 K C 2.162 178.773 176.600 0.017 0.000 1.049 567 K CA 1.126 57.436 56.287 0.037 0.000 0.933 567 K CB -0.567 31.955 32.500 0.037 0.000 0.717 567 K HN 0.254 nan 8.250 nan 0.000 0.442 568 C N 0.884 120.179 119.300 -0.008 0.000 2.440 568 C HA -0.059 4.413 4.460 0.020 0.000 0.278 568 C C 2.709 177.676 174.990 -0.038 0.000 1.295 568 C CA 0.092 59.076 59.018 -0.055 0.000 1.738 568 C CB -0.885 26.764 27.740 -0.152 0.000 1.987 568 C HN 0.384 nan 8.230 nan 0.000 0.492 569 L N 1.638 122.870 121.223 0.015 0.000 2.043 569 L HA -0.176 4.176 4.340 0.020 0.000 0.212 569 L C 2.359 179.245 176.870 0.027 0.000 1.075 569 L CA 1.917 56.785 54.840 0.048 0.000 0.752 569 L CB -0.918 41.209 42.059 0.113 0.000 0.891 569 L HN 0.398 nan 8.230 nan 0.000 0.432 570 E N -0.472 119.744 120.200 0.027 0.000 2.209 570 E HA -0.172 4.190 4.350 0.020 0.000 0.196 570 E C 1.427 178.030 176.600 0.005 0.000 0.993 570 E CA 1.540 57.953 56.400 0.021 0.000 0.819 570 E CB -0.197 29.518 29.700 0.025 0.000 0.745 570 E HN 0.776 nan 8.360 nan 0.000 0.477 571 I N -2.862 117.700 120.570 -0.012 0.000 3.707 571 I HA 0.231 4.413 4.170 0.020 0.000 0.330 571 I C -0.841 175.241 176.117 -0.060 0.000 1.572 571 I CA -0.513 60.772 61.300 -0.024 0.000 1.104 571 I CB 0.508 38.500 38.000 -0.014 0.000 1.240 571 I HN -0.271 nan 8.210 nan 0.000 0.475 572 D N 1.603 121.958 120.400 -0.075 0.000 2.708 572 D HA -0.141 4.511 4.640 0.020 0.000 0.236 572 D C -0.155 176.014 176.300 -0.218 0.000 1.146 572 D CA 1.178 55.096 54.000 -0.136 0.000 0.662 572 D CB -1.187 39.546 40.800 -0.113 0.000 1.059 572 D HN 0.495 nan 8.370 nan 0.000 0.428 573 T N -0.661 113.769 114.554 -0.206 0.000 2.856 573 T HA 0.654 5.016 4.350 0.020 0.000 0.283 573 T C 0.349 174.864 174.700 -0.309 0.000 1.008 573 T CA -0.683 61.272 62.100 -0.242 0.000 0.997 573 T CB 2.574 71.360 68.868 -0.137 0.000 0.992 573 T HN 0.095 nan 8.240 nan 0.000 0.454 574 V N 0.527 120.214 119.914 -0.378 0.000 2.864 574 V HA 0.738 4.871 4.120 0.020 0.000 0.314 574 V C -0.767 175.292 176.094 -0.057 0.000 1.073 574 V CA -1.194 60.914 62.300 -0.319 0.000 0.956 574 V CB 1.670 33.141 31.823 -0.586 0.000 1.023 574 V HN 0.848 nan 8.190 nan 0.000 0.435 575 I N 4.215 124.770 120.570 -0.025 0.000 2.339 575 I HA 0.439 4.621 4.170 0.020 0.000 0.290 575 I C -2.325 173.814 176.117 0.037 0.000 0.994 575 I CA -2.148 59.134 61.300 -0.030 0.000 1.191 575 I CB 2.357 40.158 38.000 -0.331 0.000 1.343 575 I HN 0.504 nan 8.210 nan 0.000 0.458 576 P HA 0.004 nan 4.420 nan 0.000 0.268 576 P C -0.901 176.228 177.300 -0.285 0.000 1.204 576 P CA -0.233 62.529 63.100 -0.563 0.000 0.768 576 P CB 0.647 32.074 31.700 -0.454 0.000 0.842 577 N N 3.910 122.437 118.700 -0.289 0.000 2.408 577 N HA 0.194 4.946 4.740 0.020 0.000 0.257 577 N C -0.475 174.948 175.510 -0.145 0.000 1.064 577 N CA -0.084 52.887 53.050 -0.131 0.000 0.952 577 N CB -0.012 38.427 38.487 -0.080 0.000 1.093 577 N HN 0.203 nan 8.380 nan 0.000 0.490 578 M N 1.095 120.630 119.600 -0.109 0.000 2.598 578 M HA 0.388 4.881 4.480 0.020 0.000 0.317 578 M C 0.276 176.533 176.300 -0.072 0.000 1.179 578 M CA -0.900 54.331 55.300 -0.114 0.000 0.936 578 M CB 0.672 33.187 32.600 -0.143 0.000 1.713 578 M HN 0.484 nan 8.290 nan 0.000 0.460 579 Q N 1.054 120.813 119.800 -0.069 0.000 2.288 579 Q HA 0.524 4.876 4.340 0.020 0.000 0.254 579 Q C -0.127 175.843 176.000 -0.051 0.000 0.932 579 Q CA -0.575 55.198 55.803 -0.050 0.000 0.902 579 Q CB 0.104 28.816 28.738 -0.043 0.000 1.203 579 Q HN 0.751 nan 8.270 nan 0.000 0.415 580 S N 1.304 116.978 115.700 -0.043 0.000 2.552 580 S HA 0.472 4.954 4.470 0.020 0.000 0.289 580 S C 0.396 174.972 174.600 -0.041 0.000 1.304 580 S CA 0.509 58.682 58.200 -0.044 0.000 1.063 580 S CB 0.413 63.588 63.200 -0.041 0.000 0.848 580 S HN 1.197 nan 8.310 nan 0.000 0.499 581 Q N 0.553 120.329 119.800 -0.040 0.000 3.021 581 Q HA 0.659 5.011 4.340 0.020 0.000 0.234 581 Q C -0.276 175.708 176.000 -0.025 0.000 0.930 581 Q CA -0.407 55.377 55.803 -0.032 0.000 0.714 581 Q CB 0.665 29.384 28.738 -0.033 0.000 1.325 581 Q HN 1.253 nan 8.270 nan 0.000 0.473 582 A N 1.204 124.009 122.820 -0.025 0.000 2.584 582 A HA 0.469 4.801 4.320 0.020 0.000 0.239 582 A C 0.799 178.376 177.584 -0.011 0.000 1.043 582 A CA 0.944 52.969 52.037 -0.020 0.000 0.756 582 A CB 0.208 19.194 19.000 -0.024 0.000 0.963 582 A HN 1.237 nan 8.150 nan 0.000 0.511 583 S N 0.298 115.997 115.700 -0.001 0.000 2.632 583 S HA 0.282 4.764 4.470 0.020 0.000 0.271 583 S C 0.553 175.155 174.600 0.004 0.000 1.260 583 S CA -0.612 57.593 58.200 0.008 0.000 1.010 583 S CB 0.612 63.829 63.200 0.028 0.000 0.965 583 S HN 0.655 nan 8.310 nan 0.000 0.534 584 D N 1.123 121.526 120.400 0.005 0.000 2.349 584 D HA 0.167 4.820 4.640 0.020 0.000 0.215 584 D C -0.537 175.766 176.300 0.004 0.000 1.016 584 D CA 0.615 54.616 54.000 0.001 0.000 0.870 584 D CB 0.176 40.977 40.800 0.001 0.000 0.917 584 D HN 0.513 nan 8.370 nan 0.000 0.524 585 D N 0.546 120.954 120.400 0.014 0.000 2.457 585 D HA 0.251 4.903 4.640 0.020 0.000 0.240 585 D C 0.100 176.411 176.300 0.018 0.000 1.041 585 D CA -0.426 53.584 54.000 0.017 0.000 0.861 585 D CB 1.794 42.612 40.800 0.030 0.000 1.394 585 D HN -0.128 nan 8.370 nan 0.000 0.473 586 Q N 0.509 120.301 119.800 -0.014 0.000 2.222 586 Q HA 0.342 4.694 4.340 0.020 0.000 0.252 586 Q C -0.524 175.448 176.000 -0.046 0.000 0.926 586 Q CA -0.901 54.852 55.803 -0.083 0.000 0.899 586 Q CB 1.503 30.153 28.738 -0.147 0.000 1.250 586 Q HN 0.469 nan 8.270 nan 0.000 0.441 587 Y N -1.188 119.131 120.300 0.031 0.000 2.289 587 Y HA 0.283 4.845 4.550 0.020 0.000 0.332 587 Y C 0.223 176.151 175.900 0.047 0.000 1.324 587 Y CA -1.138 56.984 58.100 0.036 0.000 1.478 587 Y CB 0.303 38.786 38.460 0.039 0.000 1.378 587 Y HN 0.534 nan 8.280 nan 0.000 0.558 588 E N 0.343 120.669 120.200 0.210 0.000 2.373 588 E HA 0.397 4.759 4.350 0.020 0.000 0.267 588 E C -0.006 176.678 176.600 0.141 0.000 1.032 588 E CA 0.138 56.604 56.400 0.111 0.000 0.889 588 E CB 0.564 30.325 29.700 0.102 0.000 0.984 588 E HN 0.945 nan 8.360 nan 0.000 0.425 589 G N 2.539 111.382 108.800 0.071 0.000 3.194 589 G HA2 0.572 4.544 3.960 0.020 0.000 0.160 589 G HA3 0.572 4.544 3.960 0.020 0.000 0.160 589 G C -0.630 174.341 174.900 0.118 0.000 1.267 589 G CA -0.006 45.163 45.100 0.114 0.000 0.962 589 G HN 0.716 nan 8.290 nan 0.000 0.612 590 A N -0.895 122.001 122.820 0.126 0.000 2.332 590 A HA 0.603 4.935 4.320 0.020 0.000 0.258 590 A C 0.326 177.950 177.584 0.067 0.000 1.087 590 A CA 0.013 52.118 52.037 0.113 0.000 0.802 590 A CB 0.070 19.136 19.000 0.110 0.000 1.042 590 A HN 0.458 nan 8.150 nan 0.000 0.489 591 T N 1.245 115.830 114.554 0.052 0.000 2.780 591 T HA 0.455 4.817 4.350 0.020 0.000 0.294 591 T C -0.297 174.410 174.700 0.012 0.000 0.949 591 T CA -0.082 62.037 62.100 0.032 0.000 1.074 591 T CB 0.569 69.452 68.868 0.025 0.000 0.910 591 T HN 0.403 nan 8.240 nan 0.000 0.501 592 V N 5.558 125.482 119.914 0.017 0.000 2.357 592 V HA 0.377 4.509 4.120 0.020 0.000 0.284 592 V C 0.434 176.527 176.094 -0.002 0.000 1.018 592 V CA -0.917 61.379 62.300 -0.007 0.000 0.841 592 V CB 1.105 32.968 31.823 0.066 0.000 0.991 592 V HN 0.812 nan 8.190 nan 0.000 0.437 593 I N 2.965 123.477 120.570 -0.096 0.000 2.648 593 I HA 0.107 4.289 4.170 0.020 0.000 0.284 593 I C 0.838 177.026 176.117 0.117 0.000 1.153 593 I CA -0.055 61.229 61.300 -0.027 0.000 1.426 593 I CB 0.614 38.556 38.000 -0.097 0.000 1.381 593 I HN 0.662 nan 8.210 nan 0.000 0.571 594 E N 9.323 129.595 120.200 0.121 0.000 2.493 594 E HA 0.070 4.432 4.350 0.020 0.000 0.255 594 E C -2.227 174.497 176.600 0.206 0.000 0.999 594 E CA -1.176 55.315 56.400 0.152 0.000 0.934 594 E CB 0.331 30.090 29.700 0.097 0.000 0.940 594 E HN 0.176 nan 8.360 nan 0.000 0.473 595 P HA 0.125 nan 4.420 nan 0.000 0.279 595 P C -0.401 176.987 177.300 0.147 0.000 1.239 595 P CA -0.042 63.196 63.100 0.229 0.000 0.789 595 P CB 0.627 32.362 31.700 0.059 0.000 0.933 596 I N 3.508 124.181 120.570 0.173 0.000 2.260 596 I HA 0.172 4.354 4.170 0.020 0.000 0.297 596 I C 1.240 177.472 176.117 0.192 0.000 1.143 596 I CA -0.322 61.081 61.300 0.171 0.000 1.271 596 I CB -0.246 37.881 38.000 0.211 0.000 1.461 596 I HN 0.152 nan 8.210 nan 0.000 0.530 597 R N 4.067 124.622 120.500 0.090 0.000 2.694 597 R HA 0.593 4.945 4.340 0.020 0.000 0.268 597 R C 0.589 176.883 176.300 -0.009 0.000 1.061 597 R CA 0.201 56.325 56.100 0.040 0.000 1.133 597 R CB 0.723 31.024 30.300 0.002 0.000 1.020 597 R HN 0.838 nan 8.270 nan 0.000 0.475 598 G N 0.559 109.335 108.800 -0.041 0.000 2.369 598 G HA2 -0.068 3.905 3.960 0.020 0.000 0.295 598 G HA3 -0.068 3.905 3.960 0.020 0.000 0.295 598 G C -2.239 172.589 174.900 -0.121 0.000 1.298 598 G CA -0.912 44.114 45.100 -0.123 0.000 0.940 598 G HN 0.454 nan 8.290 nan 0.000 0.536 599 Y N 0.895 121.048 120.300 -0.245 0.000 2.404 599 Y HA 0.698 5.260 4.550 0.020 0.000 0.344 599 Y C -0.627 175.173 175.900 -0.168 0.000 0.970 599 Y CA -0.837 57.186 58.100 -0.129 0.000 1.180 599 Y CB 0.639 39.056 38.460 -0.072 0.000 1.138 599 Y HN 0.445 nan 8.280 nan 0.000 0.510 600 Y N 4.661 124.801 120.300 -0.267 0.000 2.367 600 Y HA 0.173 4.735 4.550 0.020 0.000 0.342 600 Y C 0.538 176.347 175.900 -0.152 0.000 0.979 600 Y CA -0.491 57.553 58.100 -0.094 0.000 1.161 600 Y CB 0.909 39.399 38.460 0.050 0.000 1.155 600 Y HN 0.572 nan 8.280 nan 0.000 0.503 601 D N 3.026 123.500 120.400 0.124 0.000 2.561 601 D HA 0.149 4.801 4.640 0.020 0.000 0.232 601 D C -0.800 175.738 176.300 0.396 0.000 1.198 601 D CA 0.294 54.426 54.000 0.220 0.000 0.826 601 D CB -0.003 40.931 40.800 0.225 0.000 0.992 601 D HN 0.267 nan 8.370 nan 0.000 0.490 602 V N -3.081 117.025 119.914 0.320 0.000 3.040 602 V HA 0.742 4.874 4.120 0.020 0.000 0.312 602 V C -2.809 173.209 176.094 -0.127 0.000 1.115 602 V CA -2.629 59.704 62.300 0.055 0.000 0.998 602 V CB 1.903 33.718 31.823 -0.013 0.000 1.042 602 V HN -0.240 nan 8.190 nan 0.000 0.433 603 P HA 0.377 nan 4.420 nan 0.000 0.271 603 P C -0.915 176.257 177.300 -0.213 0.000 1.216 603 P CA 0.107 62.904 63.100 -0.504 0.000 0.771 603 P CB 0.308 31.592 31.700 -0.692 0.000 0.864 604 I N 2.241 122.731 120.570 -0.134 0.000 2.389 604 I HA 0.404 4.586 4.170 0.020 0.000 0.288 604 I C 0.336 176.365 176.117 -0.146 0.000 0.999 604 I CA -1.236 59.935 61.300 -0.215 0.000 1.129 604 I CB 1.021 38.776 38.000 -0.409 0.000 1.288 604 I HN 0.294 nan 8.210 nan 0.000 0.444 605 A N 5.268 128.039 122.820 -0.082 0.000 2.289 605 A HA 0.641 4.973 4.320 0.020 0.000 0.298 605 A C 0.187 177.760 177.584 -0.019 0.000 1.208 605 A CA -0.243 51.851 52.037 0.096 0.000 0.845 605 A CB 0.134 19.299 19.000 0.276 0.000 1.125 605 A HN 0.681 nan 8.150 nan 0.000 0.517 606 T N 4.137 118.635 114.554 -0.093 0.000 2.749 606 T HA 0.538 4.900 4.350 0.020 0.000 0.287 606 T C -0.240 174.357 174.700 -0.171 0.000 0.970 606 T CA -0.050 61.938 62.100 -0.188 0.000 0.980 606 T CB 0.213 68.910 68.868 -0.284 0.000 0.924 606 T HN 0.455 nan 8.240 nan 0.000 0.456 607 L N 4.517 125.673 121.223 -0.112 0.000 2.346 607 L HA 0.721 5.073 4.340 0.020 0.000 0.276 607 L C -0.214 176.558 176.870 -0.163 0.000 1.006 607 L CA -0.932 53.839 54.840 -0.114 0.000 0.817 607 L CB 1.607 43.614 42.059 -0.087 0.000 1.272 607 L HN 0.716 nan 8.230 nan 0.000 0.421 608 D N 1.622 121.907 120.400 -0.191 0.000 2.655 608 D HA 0.284 4.936 4.640 0.020 0.000 0.229 608 D C -1.251 174.942 176.300 -0.179 0.000 1.229 608 D CA -0.544 53.360 54.000 -0.161 0.000 0.807 608 D CB 1.770 42.538 40.800 -0.055 0.000 1.514 608 D HN 0.152 nan 8.370 nan 0.000 0.444 609 F N 1.119 121.034 119.950 -0.059 0.000 2.456 609 F HA 0.177 4.716 4.527 0.020 0.000 0.358 609 F C 1.391 177.156 175.800 -0.058 0.000 1.095 609 F CA -0.386 57.573 58.000 -0.068 0.000 1.216 609 F CB 0.555 39.491 39.000 -0.107 0.000 1.125 609 F HN 0.054 nan 8.300 nan 0.000 0.549 610 N N 2.185 120.957 118.700 0.121 0.000 2.454 610 N HA -0.062 4.690 4.740 0.020 0.000 0.260 610 N C 0.152 175.699 175.510 0.061 0.000 1.218 610 N CA 0.266 53.355 53.050 0.064 0.000 0.904 610 N CB 0.711 39.225 38.487 0.044 0.000 1.065 610 N HN 0.630 nan 8.380 nan 0.000 0.462 611 S N 0.640 116.357 115.700 0.029 0.000 3.447 611 S HA -0.189 4.293 4.470 0.020 0.000 0.371 611 S C 1.230 175.833 174.600 0.004 0.000 0.951 611 S CA 0.123 58.329 58.200 0.010 0.000 1.269 611 S CB -1.047 62.161 63.200 0.012 0.000 0.919 611 S HN 0.583 nan 8.310 nan 0.000 0.516 612 L N 1.310 122.529 121.223 -0.007 0.000 1.955 612 L HA -0.102 4.250 4.340 0.020 0.000 0.213 612 L C 2.025 178.926 176.870 0.051 0.000 1.072 612 L CA 2.073 56.904 54.840 -0.015 0.000 0.755 612 L CB -0.595 41.445 42.059 -0.031 0.000 0.888 612 L HN 0.539 nan 8.230 nan 0.000 0.432 613 Y N -0.034 120.154 120.300 -0.186 0.000 2.181 613 Y HA -0.095 4.467 4.550 0.020 0.000 0.288 613 Y C -0.089 175.718 175.900 -0.155 0.000 1.146 613 Y CA 0.842 58.798 58.100 -0.241 0.000 1.164 613 Y CB -2.554 35.659 38.460 -0.412 0.000 0.982 613 Y HN 0.312 nan 8.280 nan 0.000 0.515 614 P HA -0.165 nan 4.420 nan 0.000 0.215 614 P C 1.972 179.249 177.300 -0.038 0.000 1.153 614 P CA 2.652 65.766 63.100 0.024 0.000 0.853 614 P CB -0.195 31.524 31.700 0.032 0.000 0.788 615 S N -1.183 114.485 115.700 -0.053 0.000 2.402 615 S HA -0.124 4.359 4.470 0.020 0.000 0.229 615 S C 1.974 176.462 174.600 -0.187 0.000 1.021 615 S CA 0.958 59.098 58.200 -0.100 0.000 0.974 615 S CB -1.589 61.562 63.200 -0.082 0.000 0.800 615 S HN 0.047 nan 8.310 nan 0.000 0.484 616 I N 1.298 121.750 120.570 -0.196 0.000 2.202 616 I HA -0.166 4.017 4.170 0.020 0.000 0.242 616 I C 2.751 178.718 176.117 -0.251 0.000 1.091 616 I CA 1.553 62.696 61.300 -0.263 0.000 1.368 616 I CB -0.363 37.494 38.000 -0.239 0.000 1.058 616 I HN 0.307 nan 8.210 nan 0.000 0.410 617 M N -0.466 119.028 119.600 -0.176 0.000 2.159 617 M HA -0.231 4.262 4.480 0.020 0.000 0.263 617 M C 2.340 178.542 176.300 -0.162 0.000 1.063 617 M CA 1.903 57.105 55.300 -0.162 0.000 1.110 617 M CB -0.326 32.220 32.600 -0.090 0.000 1.374 617 M HN 0.230 nan 8.290 nan 0.000 0.411 618 M N -0.369 119.141 119.600 -0.149 0.000 2.123 618 M HA -0.052 4.440 4.480 0.020 0.000 0.263 618 M C 2.544 178.722 176.300 -0.203 0.000 1.069 618 M CA 1.541 56.760 55.300 -0.134 0.000 1.133 618 M CB -0.565 31.979 32.600 -0.093 0.000 1.356 618 M HN 0.330 nan 8.290 nan 0.000 0.415 619 A N -0.238 122.386 122.820 -0.326 0.000 1.908 619 A HA -0.170 4.162 4.320 0.020 0.000 0.218 619 A C 1.574 178.810 177.584 -0.581 0.000 1.181 619 A CA 1.499 53.236 52.037 -0.500 0.000 0.627 619 A CB -0.857 17.692 19.000 -0.752 0.000 0.818 619 A HN 0.534 nan 8.150 nan 0.000 0.445 620 H N -1.828 117.072 119.070 -0.284 0.000 2.505 620 H HA 0.133 4.701 4.556 0.020 0.000 0.286 620 H C 0.254 175.445 175.328 -0.228 0.000 1.072 620 H CA 0.184 56.057 56.048 -0.291 0.000 1.141 620 H CB -0.185 29.273 29.762 -0.507 0.000 1.550 620 H HN 0.556 nan 8.280 nan 0.000 0.547 621 N N 0.798 119.427 118.700 -0.118 0.000 2.738 621 N HA -0.185 4.567 4.740 0.020 0.000 0.249 621 N C -1.247 174.187 175.510 -0.127 0.000 1.047 621 N CA 0.012 53.015 53.050 -0.078 0.000 0.707 621 N CB -1.343 37.136 38.487 -0.014 0.000 0.937 621 N HN 0.091 nan 8.380 nan 0.000 0.545 622 L N 0.559 121.628 121.223 -0.257 0.000 2.278 622 L HA 0.510 4.862 4.340 0.020 0.000 0.287 622 L C 0.546 177.287 176.870 -0.215 0.000 1.072 622 L CA -0.322 54.224 54.840 -0.489 0.000 0.819 622 L CB 0.467 42.200 42.059 -0.543 0.000 1.176 622 L HN 0.494 nan 8.230 nan 0.000 0.435 623 C N 2.644 121.914 119.300 -0.051 0.000 3.307 623 C HA 0.323 4.795 4.460 0.020 0.000 0.333 623 C C 1.381 176.384 174.990 0.021 0.000 1.291 623 C CA -0.700 58.310 59.018 -0.014 0.000 1.273 623 C CB 0.674 28.453 27.740 0.065 0.000 1.580 623 C HN 0.829 nan 8.230 nan 0.000 0.481 624 Y N 1.476 121.776 120.300 0.001 0.000 2.151 624 Y HA -0.183 4.378 4.550 0.020 0.000 0.284 624 Y C 2.702 178.519 175.900 -0.139 0.000 1.166 624 Y CA 2.598 60.594 58.100 -0.173 0.000 1.163 624 Y CB -0.551 37.832 38.460 -0.128 0.000 0.974 624 Y HN 0.871 nan 8.280 nan 0.000 0.511 625 T N -4.136 110.507 114.554 0.149 0.000 3.085 625 T HA -0.075 4.287 4.350 0.020 0.000 0.263 625 T C 1.483 176.278 174.700 0.159 0.000 1.127 625 T CA 1.208 63.382 62.100 0.123 0.000 1.103 625 T CB -0.622 68.319 68.868 0.122 0.000 0.921 625 T HN 0.462 nan 8.240 nan 0.000 0.510 626 T N -0.977 113.679 114.554 0.170 0.000 3.054 626 T HA 0.384 4.746 4.350 0.020 0.000 0.255 626 T C 0.405 175.192 174.700 0.145 0.000 1.035 626 T CA -0.646 61.580 62.100 0.210 0.000 0.941 626 T CB -0.318 68.692 68.868 0.236 0.000 1.026 626 T HN 0.265 nan 8.240 nan 0.000 0.533 627 L N 2.154 123.354 121.223 -0.038 0.000 2.499 627 L HA 0.479 4.831 4.340 0.020 0.000 0.273 627 L C 0.117 176.831 176.870 -0.260 0.000 1.195 627 L CA -0.369 54.184 54.840 -0.479 0.000 0.882 627 L CB 0.178 41.909 42.059 -0.547 0.000 1.133 627 L HN 0.492 nan 8.230 nan 0.000 0.483 628 C N 5.084 124.211 119.300 -0.287 0.000 3.327 628 C HA 0.747 5.219 4.460 0.020 0.000 0.366 628 C C -0.602 174.253 174.990 -0.226 0.000 2.438 628 C CA -0.330 58.603 59.018 -0.142 0.000 1.438 628 C CB 1.727 29.416 27.740 -0.085 0.000 2.876 628 C HN 1.097 nan 8.230 nan 0.000 0.483 629 N N -1.008 117.503 118.700 -0.314 0.000 3.046 629 N HA 0.339 5.091 4.740 0.020 0.000 0.243 629 N C 0.086 175.137 175.510 -0.765 0.000 1.452 629 N CA 0.098 52.802 53.050 -0.576 0.000 0.882 629 N CB 1.499 39.787 38.487 -0.331 0.000 1.425 629 N HN 0.602 nan 8.380 nan 0.000 0.517 630 K N 0.209 120.019 120.400 -0.984 0.000 2.089 630 K HA -0.096 4.236 4.320 0.020 0.000 0.210 630 K C 2.173 178.582 176.600 -0.317 0.000 1.048 630 K CA 2.407 58.304 56.287 -0.651 0.000 0.926 630 K CB -1.462 30.798 32.500 -0.400 0.000 0.714 630 K HN 0.663 nan 8.250 nan 0.000 0.448 631 A N 0.595 123.265 122.820 -0.249 0.000 1.902 631 A HA -0.099 4.233 4.320 0.020 0.000 0.217 631 A C 2.644 180.156 177.584 -0.119 0.000 1.181 631 A CA 2.473 54.423 52.037 -0.144 0.000 0.623 631 A CB -0.878 18.054 19.000 -0.113 0.000 0.818 631 A HN 0.527 nan 8.150 nan 0.000 0.443 632 T N 0.129 114.599 114.554 -0.139 0.000 2.770 632 T HA -0.101 4.261 4.350 0.020 0.000 0.263 632 T C 1.979 176.633 174.700 -0.076 0.000 1.039 632 T CA 1.862 63.916 62.100 -0.077 0.000 1.142 632 T CB -0.828 68.016 68.868 -0.039 0.000 0.868 632 T HN 0.600 nan 8.240 nan 0.000 0.435 633 V N 0.693 120.506 119.914 -0.169 0.000 2.660 633 V HA -0.177 3.955 4.120 0.020 0.000 0.257 633 V C 1.928 177.979 176.094 -0.071 0.000 1.088 633 V CA 1.676 63.863 62.300 -0.188 0.000 1.106 633 V CB -0.822 30.724 31.823 -0.462 0.000 0.686 633 V HN 0.464 nan 8.190 nan 0.000 0.481 634 E N 0.414 120.576 120.200 -0.064 0.000 2.099 634 E HA -0.013 4.349 4.350 0.020 0.000 0.191 634 E C 2.407 179.001 176.600 -0.010 0.000 0.962 634 E CA 0.597 56.984 56.400 -0.021 0.000 0.826 634 E CB -0.195 29.489 29.700 -0.026 0.000 0.788 634 E HN 0.573 nan 8.360 nan 0.000 0.461 635 R N 1.008 121.496 120.500 -0.019 0.000 2.127 635 R HA -0.115 4.237 4.340 0.020 0.000 0.238 635 R C 1.663 177.969 176.300 0.009 0.000 1.134 635 R CA 1.118 57.213 56.100 -0.008 0.000 0.975 635 R CB -0.014 30.276 30.300 -0.015 0.000 0.865 635 R HN 0.174 nan 8.270 nan 0.000 0.447 636 L N 0.156 121.391 121.223 0.020 0.000 2.616 636 L HA 0.133 4.485 4.340 0.020 0.000 0.229 636 L C 0.086 176.985 176.870 0.049 0.000 1.110 636 L CA -0.235 54.633 54.840 0.047 0.000 0.884 636 L CB 0.025 42.137 42.059 0.089 0.000 1.115 636 L HN 0.229 nan 8.230 nan 0.000 0.481 637 N N 1.674 120.398 118.700 0.039 0.000 2.714 637 N HA -0.158 4.594 4.740 0.020 0.000 0.253 637 N C -0.438 175.118 175.510 0.076 0.000 1.024 637 N CA 0.696 53.777 53.050 0.051 0.000 0.726 637 N CB -1.041 37.472 38.487 0.043 0.000 0.908 637 N HN 0.276 nan 8.380 nan 0.000 0.542 638 L N -0.028 121.253 121.223 0.096 0.000 2.399 638 L HA 0.434 4.786 4.340 0.020 0.000 0.266 638 L C 1.194 178.215 176.870 0.252 0.000 1.114 638 L CA -0.373 54.561 54.840 0.156 0.000 0.804 638 L CB 0.652 42.808 42.059 0.161 0.000 1.146 638 L HN 0.219 nan 8.230 nan 0.000 0.451 639 K N 2.995 123.514 120.400 0.198 0.000 2.185 639 K HA 0.430 4.763 4.320 0.020 0.000 0.269 639 K C -0.566 176.022 176.600 -0.020 0.000 0.987 639 K CA -0.624 55.737 56.287 0.123 0.000 0.865 639 K CB 1.337 33.862 32.500 0.042 0.000 1.090 639 K HN 0.637 nan 8.250 nan 0.000 0.450 640 I N 1.927 122.386 120.570 -0.185 0.000 2.845 640 I HA -0.077 4.105 4.170 0.020 0.000 0.296 640 I C 0.090 175.955 176.117 -0.421 0.000 1.216 640 I CA 1.385 62.257 61.300 -0.713 0.000 1.438 640 I CB 0.350 38.057 38.000 -0.488 0.000 1.342 640 I HN 0.997 nan 8.210 nan 0.000 0.577 641 D N 2.653 122.770 120.400 -0.472 0.000 2.593 641 D HA -0.228 4.424 4.640 0.020 0.000 0.176 641 D C 1.199 177.414 176.300 -0.142 0.000 1.580 641 D CA 1.752 55.611 54.000 -0.236 0.000 1.831 641 D CB -0.546 40.154 40.800 -0.166 0.000 1.384 641 D HN 0.751 nan 8.370 nan 0.000 0.479 642 E N 0.115 120.243 120.200 -0.120 0.000 2.042 642 E HA -0.074 4.288 4.350 0.020 0.000 0.189 642 E C 1.125 177.708 176.600 -0.028 0.000 0.974 642 E CA 0.994 57.362 56.400 -0.054 0.000 0.806 642 E CB 0.064 29.747 29.700 -0.029 0.000 0.769 642 E HN 0.363 nan 8.360 nan 0.000 0.451 643 D N -1.270 119.129 120.400 -0.002 0.000 2.388 643 D HA 0.059 4.711 4.640 0.020 0.000 0.208 643 D C 0.364 176.746 176.300 0.136 0.000 1.035 643 D CA 0.377 54.417 54.000 0.066 0.000 0.875 643 D CB 0.653 41.532 40.800 0.133 0.000 0.984 643 D HN 0.186 nan 8.370 nan 0.000 0.508 644 Y N -2.372 117.909 120.300 -0.032 0.000 2.750 644 Y HA 0.601 5.163 4.550 0.020 0.000 0.335 644 Y C -1.719 174.170 175.900 -0.019 0.000 1.252 644 Y CA -1.257 56.833 58.100 -0.017 0.000 1.064 644 Y CB 1.078 39.541 38.460 0.005 0.000 1.321 644 Y HN -0.310 nan 8.280 nan 0.000 0.451 645 V N 2.225 122.159 119.914 0.033 0.000 3.049 645 V HA 0.536 4.668 4.120 0.020 0.000 0.309 645 V C -1.030 175.068 176.094 0.007 0.000 1.148 645 V CA -0.985 61.270 62.300 -0.076 0.000 0.990 645 V CB 2.328 34.178 31.823 0.045 0.000 1.039 645 V HN 0.700 nan 8.190 nan 0.000 0.430 646 I N 3.531 124.019 120.570 -0.137 0.000 2.355 646 I HA 0.373 4.555 4.170 0.020 0.000 0.288 646 I C 0.626 176.663 176.117 -0.133 0.000 0.999 646 I CA -0.334 60.846 61.300 -0.200 0.000 1.163 646 I CB 2.073 39.868 38.000 -0.342 0.000 1.316 646 I HN 0.777 nan 8.210 nan 0.000 0.454 647 T N 2.686 117.185 114.554 -0.091 0.000 2.788 647 T HA 0.266 4.628 4.350 0.020 0.000 0.287 647 T C -1.873 172.613 174.700 -0.356 0.000 1.007 647 T CA -1.447 60.470 62.100 -0.305 0.000 1.005 647 T CB 1.017 69.731 68.868 -0.256 0.000 1.012 647 T HN 0.292 nan 8.240 nan 0.000 0.530 648 P HA 0.044 nan 4.420 nan 0.000 0.228 648 P C 1.049 178.214 177.300 -0.225 0.000 1.151 648 P CA 0.589 63.478 63.100 -0.351 0.000 0.770 648 P CB -0.073 31.381 31.700 -0.410 0.000 0.786 649 N N -0.837 117.731 118.700 -0.219 0.000 2.467 649 N HA 0.031 4.783 4.740 0.020 0.000 0.184 649 N C 1.206 176.689 175.510 -0.046 0.000 1.106 649 N CA 1.040 54.029 53.050 -0.101 0.000 0.892 649 N CB -0.355 38.090 38.487 -0.071 0.000 0.969 649 N HN 0.041 nan 8.380 nan 0.000 0.454 650 G N -0.605 108.163 108.800 -0.054 0.000 2.175 650 G HA2 -0.210 3.762 3.960 0.020 0.000 0.244 650 G HA3 -0.210 3.762 3.960 0.020 0.000 0.244 650 G C -0.677 174.273 174.900 0.083 0.000 0.982 650 G CA 0.087 45.188 45.100 0.002 0.000 0.641 650 G HN 0.394 nan 8.290 nan 0.000 0.527 651 D N -0.197 120.255 120.400 0.087 0.000 2.304 651 D HA 0.430 5.082 4.640 0.020 0.000 0.247 651 D C -0.100 176.306 176.300 0.176 0.000 1.089 651 D CA 0.140 54.221 54.000 0.136 0.000 0.910 651 D CB 0.743 41.609 40.800 0.111 0.000 1.199 651 D HN 0.312 nan 8.370 nan 0.000 0.426 652 Y N 0.645 120.855 120.300 -0.150 0.000 2.326 652 Y HA 0.326 4.888 4.550 0.020 0.000 0.337 652 Y C -0.142 175.592 175.900 -0.277 0.000 1.023 652 Y CA -0.776 57.283 58.100 -0.069 0.000 1.143 652 Y CB 0.854 39.225 38.460 -0.148 0.000 1.183 652 Y HN 0.161 nan 8.280 nan 0.000 0.485 653 F N 2.224 122.272 119.950 0.164 0.000 2.540 653 F HA 0.470 5.009 4.527 0.020 0.000 0.317 653 F C -0.066 175.787 175.800 0.088 0.000 1.104 653 F CA -1.325 56.728 58.000 0.089 0.000 0.913 653 F CB 1.460 40.493 39.000 0.055 0.000 1.170 653 F HN 0.223 nan 8.300 nan 0.000 0.450 654 V N -0.235 119.772 119.914 0.155 0.000 3.051 654 V HA 0.564 4.696 4.120 0.020 0.000 0.306 654 V C 0.276 176.404 176.094 0.057 0.000 1.083 654 V CA -0.553 61.758 62.300 0.018 0.000 1.104 654 V CB 0.818 32.427 31.823 -0.356 0.000 1.027 654 V HN 0.871 nan 8.190 nan 0.000 0.483 655 T N -0.024 114.542 114.554 0.021 0.000 2.847 655 T HA 0.283 4.646 4.350 0.020 0.000 0.279 655 T C 1.344 176.046 174.700 0.003 0.000 0.984 655 T CA 0.245 62.356 62.100 0.018 0.000 0.988 655 T CB 0.877 69.748 68.868 0.004 0.000 1.040 655 T HN 1.225 nan 8.240 nan 0.000 0.528 656 T N -1.879 112.680 114.554 0.007 0.000 2.977 656 T HA -0.128 4.235 4.350 0.020 0.000 0.271 656 T C 1.706 176.415 174.700 0.015 0.000 1.105 656 T CA 1.175 63.282 62.100 0.013 0.000 1.116 656 T CB -0.462 68.410 68.868 0.006 0.000 0.878 656 T HN 0.768 nan 8.240 nan 0.000 0.509 657 K N 0.782 121.186 120.400 0.008 0.000 2.044 657 K HA -0.154 4.178 4.320 0.020 0.000 0.210 657 K C 2.532 179.145 176.600 0.022 0.000 1.049 657 K CA 1.126 57.420 56.287 0.013 0.000 0.927 657 K CB 0.006 32.509 32.500 0.006 0.000 0.713 657 K HN 0.158 nan 8.250 nan 0.000 0.443 658 R N -0.107 120.391 120.500 -0.002 0.000 2.112 658 R HA 0.126 4.479 4.340 0.020 0.000 0.216 658 R C 0.468 176.825 176.300 0.094 0.000 1.080 658 R CA 0.522 56.624 56.100 0.003 0.000 0.996 658 R CB 0.029 30.205 30.300 -0.207 0.000 0.902 658 R HN 0.137 nan 8.270 nan 0.000 0.449 659 R N 0.412 120.948 120.500 0.060 0.000 2.563 659 R HA 0.174 4.526 4.340 0.020 0.000 0.262 659 R C -1.308 175.037 176.300 0.076 0.000 1.128 659 R CA -0.486 55.685 56.100 0.118 0.000 0.969 659 R CB 1.065 31.503 30.300 0.231 0.000 1.251 659 R HN -0.186 nan 8.270 nan 0.000 0.442 660 R N 2.396 122.936 120.500 0.067 0.000 2.296 660 R HA 0.241 4.594 4.340 0.020 0.000 0.323 660 R C 0.248 176.583 176.300 0.058 0.000 1.067 660 R CA 0.089 56.218 56.100 0.048 0.000 0.946 660 R CB 1.050 31.373 30.300 0.039 0.000 0.991 660 R HN 0.794 nan 8.270 nan 0.000 0.448 661 G N 1.833 110.664 108.800 0.053 0.000 2.606 661 G HA2 0.182 4.154 3.960 0.020 0.000 0.252 661 G HA3 0.182 4.154 3.960 0.020 0.000 0.252 661 G C 1.097 176.029 174.900 0.053 0.000 1.206 661 G CA -0.550 44.588 45.100 0.063 0.000 0.861 661 G HN 0.604 nan 8.290 nan 0.000 0.561 662 I N 0.153 120.765 120.570 0.070 0.000 2.585 662 I HA 0.012 4.194 4.170 0.020 0.000 0.254 662 I C 2.521 178.676 176.117 0.064 0.000 1.129 662 I CA 0.177 61.516 61.300 0.066 0.000 1.455 662 I CB -0.066 37.981 38.000 0.078 0.000 1.111 662 I HN 0.396 nan 8.210 nan 0.000 0.433 663 L N 1.026 122.294 121.223 0.076 0.000 2.013 663 L HA -0.172 4.180 4.340 0.020 0.000 0.212 663 L C -0.294 176.593 176.870 0.029 0.000 1.073 663 L CA 1.820 56.697 54.840 0.060 0.000 0.753 663 L CB -2.177 39.908 42.059 0.043 0.000 0.890 663 L HN 0.186 nan 8.230 nan 0.000 0.432 664 P HA -0.183 nan 4.420 nan 0.000 0.216 664 P C 1.822 179.125 177.300 0.006 0.000 1.150 664 P CA 1.559 64.655 63.100 -0.007 0.000 0.843 664 P CB 0.043 31.731 31.700 -0.020 0.000 0.787 665 I N -1.604 118.976 120.570 0.017 0.000 2.286 665 I HA -0.187 3.995 4.170 0.020 0.000 0.245 665 I C 2.284 178.416 176.117 0.024 0.000 1.104 665 I CA 1.203 62.515 61.300 0.020 0.000 1.397 665 I CB -0.519 37.496 38.000 0.026 0.000 1.072 665 I HN -0.136 nan 8.210 nan 0.000 0.417 666 I N 0.679 121.267 120.570 0.031 0.000 2.208 666 I HA -0.314 3.868 4.170 0.020 0.000 0.245 666 I C 2.459 178.594 176.117 0.029 0.000 1.097 666 I CA 1.598 62.917 61.300 0.031 0.000 1.363 666 I CB -0.284 37.738 38.000 0.037 0.000 1.051 666 I HN 0.202 nan 8.210 nan 0.000 0.413 667 L N 0.060 121.300 121.223 0.029 0.000 2.046 667 L HA -0.243 4.110 4.340 0.020 0.000 0.208 667 L C 2.296 179.177 176.870 0.019 0.000 1.077 667 L CA 1.307 56.163 54.840 0.027 0.000 0.747 667 L CB -0.674 41.399 42.059 0.023 0.000 0.896 667 L HN 0.259 nan 8.230 nan 0.000 0.432 668 D N 0.306 120.713 120.400 0.012 0.000 2.123 668 D HA -0.212 4.440 4.640 0.020 0.000 0.196 668 D C 2.073 178.382 176.300 0.015 0.000 0.992 668 D CA 1.410 55.415 54.000 0.009 0.000 0.833 668 D CB 0.128 40.931 40.800 0.006 0.000 0.954 668 D HN 0.331 nan 8.370 nan 0.000 0.455 669 E N -0.508 119.704 120.200 0.020 0.000 2.106 669 E HA -0.095 4.267 4.350 0.020 0.000 0.192 669 E C 2.398 179.014 176.600 0.026 0.000 0.984 669 E CA 0.412 56.827 56.400 0.024 0.000 0.806 669 E CB -0.000 29.716 29.700 0.026 0.000 0.750 669 E HN 0.342 nan 8.360 nan 0.000 0.458 670 L N 0.553 121.792 121.223 0.027 0.000 2.056 670 L HA -0.154 4.198 4.340 0.020 0.000 0.207 670 L C 2.393 179.279 176.870 0.028 0.000 1.078 670 L CA 0.872 55.730 54.840 0.029 0.000 0.749 670 L CB -0.260 41.818 42.059 0.032 0.000 0.901 670 L HN 0.152 nan 8.230 nan 0.000 0.433 671 I N -0.964 119.620 120.570 0.023 0.000 2.315 671 I HA -0.236 3.946 4.170 0.020 0.000 0.248 671 I C 2.582 178.710 176.117 0.019 0.000 1.117 671 I CA 0.824 62.136 61.300 0.020 0.000 1.404 671 I CB -0.174 37.834 38.000 0.014 0.000 1.071 671 I HN 0.156 nan 8.210 nan 0.000 0.419 672 S N 0.960 116.671 115.700 0.019 0.000 2.353 672 S HA -0.235 4.247 4.470 0.020 0.000 0.222 672 S C 2.318 176.934 174.600 0.026 0.000 1.035 672 S CA 1.511 59.722 58.200 0.020 0.000 1.025 672 S CB -0.494 62.718 63.200 0.020 0.000 0.902 672 S HN 0.554 nan 8.310 nan 0.000 0.440 673 A N 1.864 124.703 122.820 0.030 0.000 1.883 673 A HA -0.196 4.137 4.320 0.020 0.000 0.217 673 A C 2.110 179.716 177.584 0.036 0.000 1.186 673 A CA 1.913 53.972 52.037 0.037 0.000 0.624 673 A CB -0.684 18.340 19.000 0.040 0.000 0.822 673 A HN 0.453 nan 8.150 nan 0.000 0.444 674 R N -0.109 120.411 120.500 0.032 0.000 2.091 674 R HA -0.164 4.189 4.340 0.020 0.000 0.238 674 R C 2.095 178.412 176.300 0.028 0.000 1.136 674 R CA 1.900 58.018 56.100 0.030 0.000 0.959 674 R CB -0.252 30.064 30.300 0.027 0.000 0.856 674 R HN 0.549 nan 8.270 nan 0.000 0.437 675 K N -0.200 120.215 120.400 0.025 0.000 2.147 675 K HA -0.132 4.200 4.320 0.020 0.000 0.205 675 K C 2.254 178.869 176.600 0.025 0.000 1.049 675 K CA 1.323 57.623 56.287 0.022 0.000 0.936 675 K CB -0.066 32.444 32.500 0.017 0.000 0.722 675 K HN 0.233 nan 8.250 nan 0.000 0.446 676 R N 0.357 120.875 120.500 0.029 0.000 2.075 676 R HA -0.065 4.287 4.340 0.020 0.000 0.232 676 R C 2.404 178.725 176.300 0.036 0.000 1.126 676 R CA 1.183 57.302 56.100 0.033 0.000 0.963 676 R CB -0.311 30.011 30.300 0.037 0.000 0.858 676 R HN 0.166 nan 8.270 nan 0.000 0.435 677 A N 1.566 124.409 122.820 0.038 0.000 1.902 677 A HA -0.187 4.145 4.320 0.020 0.000 0.217 677 A C 1.929 179.533 177.584 0.034 0.000 1.181 677 A CA 1.375 53.436 52.037 0.040 0.000 0.623 677 A CB -0.245 18.780 19.000 0.042 0.000 0.818 677 A HN 0.194 nan 8.150 nan 0.000 0.443 678 K N -0.384 120.033 120.400 0.030 0.000 2.057 678 K HA -0.162 4.170 4.320 0.020 0.000 0.207 678 K C 2.202 178.819 176.600 0.028 0.000 1.049 678 K CA 1.640 57.943 56.287 0.027 0.000 0.931 678 K CB -0.140 32.375 32.500 0.024 0.000 0.714 678 K HN 0.534 nan 8.250 nan 0.000 0.440 679 K N 1.174 121.590 120.400 0.028 0.000 2.057 679 K HA -0.192 4.140 4.320 0.020 0.000 0.207 679 K C 1.388 178.006 176.600 0.030 0.000 1.049 679 K CA 1.922 58.225 56.287 0.027 0.000 0.931 679 K CB 0.040 32.556 32.500 0.026 0.000 0.714 679 K HN -0.001 nan 8.250 nan 0.000 0.440 680 D N 0.842 121.261 120.400 0.033 0.000 2.123 680 D HA -0.176 4.476 4.640 0.020 0.000 0.196 680 D C 1.824 178.145 176.300 0.035 0.000 0.992 680 D CA 0.850 54.871 54.000 0.036 0.000 0.833 680 D CB -0.180 40.644 40.800 0.041 0.000 0.954 680 D HN 0.176 nan 8.370 nan 0.000 0.455 681 L N 0.871 122.114 121.223 0.033 0.000 2.046 681 L HA -0.069 4.283 4.340 0.020 0.000 0.208 681 L C 2.201 179.089 176.870 0.031 0.000 1.077 681 L CA 1.595 56.453 54.840 0.031 0.000 0.747 681 L CB -0.405 41.671 42.059 0.028 0.000 0.896 681 L HN -0.159 nan 8.230 nan 0.000 0.432 682 R N -0.682 119.836 120.500 0.031 0.000 2.120 682 R HA -0.132 4.220 4.340 0.020 0.000 0.234 682 R C 1.033 177.352 176.300 0.031 0.000 1.123 682 R CA 1.545 57.663 56.100 0.031 0.000 0.975 682 R CB -0.070 30.247 30.300 0.029 0.000 0.866 682 R HN 0.400 nan 8.270 nan 0.000 0.446 683 D N -0.129 120.289 120.400 0.031 0.000 2.339 683 D HA -0.024 4.628 4.640 0.020 0.000 0.217 683 D C -0.330 175.989 176.300 0.032 0.000 1.050 683 D CA 0.402 54.420 54.000 0.030 0.000 0.856 683 D CB 0.314 41.132 40.800 0.029 0.000 0.922 683 D HN 0.161 nan 8.370 nan 0.000 0.518 684 E N 0.097 120.318 120.200 0.035 0.000 2.179 684 E HA 0.476 4.839 4.350 0.020 0.000 0.275 684 E C 0.832 177.456 176.600 0.040 0.000 0.945 684 E CA -0.485 55.938 56.400 0.040 0.000 0.792 684 E CB 1.308 31.035 29.700 0.045 0.000 1.125 684 E HN -0.118 nan 8.360 nan 0.000 0.397 685 K N 3.937 124.362 120.400 0.041 0.000 2.063 685 K HA 0.021 4.353 4.320 0.020 0.000 0.204 685 K C 0.749 177.377 176.600 0.047 0.000 1.039 685 K CA 1.220 57.530 56.287 0.038 0.000 0.957 685 K CB -0.903 31.617 32.500 0.033 0.000 0.764 685 K HN 0.766 nan 8.250 nan 0.000 0.447 686 D N 1.241 121.677 120.400 0.061 0.000 2.472 686 D HA -0.015 4.637 4.640 0.020 0.000 0.248 686 D C -1.487 174.873 176.300 0.099 0.000 1.174 686 D CA -1.532 52.518 54.000 0.083 0.000 0.883 686 D CB 1.412 42.277 40.800 0.109 0.000 1.149 686 D HN 0.087 nan 8.370 nan 0.000 0.488 687 P HA -0.207 nan 4.420 nan 0.000 0.216 687 P C 1.514 178.880 177.300 0.110 0.000 1.150 687 P CA 0.999 64.147 63.100 0.080 0.000 0.843 687 P CB -0.115 31.625 31.700 0.067 0.000 0.787 688 F N 1.338 121.301 119.950 0.022 0.000 2.163 688 F HA -0.054 4.485 4.527 0.020 0.000 0.297 688 F C 2.518 178.354 175.800 0.060 0.000 1.094 688 F CA 2.440 60.464 58.000 0.039 0.000 1.290 688 F CB -0.960 38.054 39.000 0.025 0.000 1.017 688 F HN -0.158 nan 8.300 nan 0.000 0.483 689 K N 0.993 121.536 120.400 0.237 0.000 2.057 689 K HA -0.121 4.211 4.320 0.020 0.000 0.207 689 K C 2.144 178.747 176.600 0.004 0.000 1.049 689 K CA 1.728 58.090 56.287 0.124 0.000 0.931 689 K CB -1.110 31.490 32.500 0.166 0.000 0.714 689 K HN 0.469 nan 8.250 nan 0.000 0.440 690 R N 0.343 120.857 120.500 0.022 0.000 2.091 690 R HA -0.132 4.221 4.340 0.020 0.000 0.238 690 R C 2.278 178.568 176.300 -0.016 0.000 1.136 690 R CA 1.427 57.533 56.100 0.011 0.000 0.959 690 R CB -0.382 29.932 30.300 0.023 0.000 0.856 690 R HN 0.601 nan 8.270 nan 0.000 0.437 691 D N 0.168 120.536 120.400 -0.054 0.000 2.103 691 D HA -0.158 4.494 4.640 0.020 0.000 0.190 691 D C 1.886 178.172 176.300 -0.024 0.000 0.997 691 D CA 1.662 55.637 54.000 -0.042 0.000 0.833 691 D CB 0.031 40.760 40.800 -0.118 0.000 0.961 691 D HN -0.019 nan 8.370 nan 0.000 0.447 692 V N 1.395 121.230 119.914 -0.131 0.000 2.282 692 V HA -0.257 3.876 4.120 0.020 0.000 0.249 692 V C 2.789 178.885 176.094 0.003 0.000 1.057 692 V CA 1.292 63.564 62.300 -0.045 0.000 1.032 692 V CB -0.588 31.168 31.823 -0.112 0.000 0.645 692 V HN 0.252 nan 8.190 nan 0.000 0.447 693 L N 0.239 121.462 121.223 0.000 0.000 2.191 693 L HA -0.181 4.172 4.340 0.020 0.000 0.212 693 L C 2.406 179.285 176.870 0.014 0.000 1.103 693 L CA 1.726 56.578 54.840 0.020 0.000 0.769 693 L CB -0.724 41.351 42.059 0.027 0.000 0.908 693 L HN 0.421 nan 8.230 nan 0.000 0.438 694 N N 0.429 119.132 118.700 0.005 0.000 2.142 694 N HA -0.128 4.624 4.740 0.020 0.000 0.186 694 N C 1.871 177.368 175.510 -0.022 0.000 1.023 694 N CA 1.432 54.483 53.050 0.001 0.000 0.852 694 N CB -0.213 38.279 38.487 0.007 0.000 0.998 694 N HN 0.205 nan 8.380 nan 0.000 0.424 695 G N 0.392 109.159 108.800 -0.056 0.000 2.418 695 G HA2 -0.286 3.687 3.960 0.020 0.000 0.217 695 G HA3 -0.286 3.687 3.960 0.020 0.000 0.217 695 G C 1.608 176.469 174.900 -0.066 0.000 1.158 695 G CA 0.721 45.736 45.100 -0.142 0.000 0.771 695 G HN 0.348 nan 8.290 nan 0.000 0.545 696 R N 0.724 121.220 120.500 -0.007 0.000 2.094 696 R HA -0.215 4.137 4.340 0.020 0.000 0.239 696 R C 2.786 179.105 176.300 0.031 0.000 1.137 696 R CA 2.275 58.398 56.100 0.039 0.000 0.943 696 R CB -0.326 30.010 30.300 0.060 0.000 0.850 696 R HN 0.538 nan 8.270 nan 0.000 0.433 697 Q N 0.007 119.820 119.800 0.021 0.000 2.119 697 Q HA -0.122 4.230 4.340 0.020 0.000 0.201 697 Q C 1.827 177.835 176.000 0.014 0.000 0.972 697 Q CA 1.278 57.094 55.803 0.022 0.000 0.847 697 Q CB -0.421 28.330 28.738 0.021 0.000 0.903 697 Q HN 0.255 nan 8.270 nan 0.000 0.433 698 L N 0.831 122.053 121.223 -0.002 0.000 2.056 698 L HA 0.025 4.377 4.340 0.020 0.000 0.207 698 L C 2.516 179.386 176.870 0.000 0.000 1.078 698 L CA 1.857 56.693 54.840 -0.007 0.000 0.749 698 L CB -1.639 40.401 42.059 -0.031 0.000 0.901 698 L HN 0.437 nan 8.230 nan 0.000 0.433 699 A N -0.861 121.959 122.820 0.000 0.000 1.940 699 A HA -0.179 4.153 4.320 0.020 0.000 0.219 699 A C 2.341 179.945 177.584 0.033 0.000 1.176 699 A CA 1.612 53.662 52.037 0.021 0.000 0.631 699 A CB -0.685 18.343 19.000 0.047 0.000 0.814 699 A HN 0.406 nan 8.150 nan 0.000 0.446 700 L N -0.825 120.419 121.223 0.034 0.000 2.240 700 L HA -0.109 4.243 4.340 0.020 0.000 0.211 700 L C 2.551 179.440 176.870 0.033 0.000 1.106 700 L CA 1.515 56.376 54.840 0.035 0.000 0.793 700 L CB -0.287 41.795 42.059 0.038 0.000 0.927 700 L HN 0.498 nan 8.230 nan 0.000 0.446 701 K N 1.184 121.600 120.400 0.027 0.000 2.025 701 K HA -0.173 4.159 4.320 0.020 0.000 0.207 701 K C 2.084 178.704 176.600 0.033 0.000 1.049 701 K CA 1.502 57.804 56.287 0.025 0.000 0.933 701 K CB -0.111 32.399 32.500 0.015 0.000 0.714 701 K HN 0.192 nan 8.250 nan 0.000 0.438 702 I N 1.279 121.868 120.570 0.032 0.000 2.361 702 I HA -0.245 3.937 4.170 0.020 0.000 0.251 702 I C 2.187 178.339 176.117 0.059 0.000 1.133 702 I CA 0.994 62.319 61.300 0.042 0.000 1.413 702 I CB -0.087 37.936 38.000 0.037 0.000 1.073 702 I HN 0.166 nan 8.210 nan 0.000 0.424 703 S N 0.566 116.297 115.700 0.052 0.000 2.368 703 S HA -0.138 4.344 4.470 0.020 0.000 0.224 703 S C 2.247 176.886 174.600 0.064 0.000 1.029 703 S CA 1.300 59.532 58.200 0.053 0.000 0.988 703 S CB -0.298 62.925 63.200 0.037 0.000 0.838 703 S HN 0.553 nan 8.310 nan 0.000 0.462 704 A N 2.524 125.382 122.820 0.063 0.000 1.897 704 A HA -0.079 4.253 4.320 0.020 0.000 0.215 704 A C 1.887 179.542 177.584 0.118 0.000 1.181 704 A CA 1.311 53.393 52.037 0.075 0.000 0.620 704 A CB -0.597 18.437 19.000 0.056 0.000 0.821 704 A HN 0.415 nan 8.150 nan 0.000 0.443 705 N N 0.412 119.184 118.700 0.120 0.000 2.309 705 N HA -0.066 4.686 4.740 0.020 0.000 0.182 705 N C 1.729 177.393 175.510 0.256 0.000 1.018 705 N CA 1.358 54.522 53.050 0.191 0.000 0.876 705 N CB -0.364 38.195 38.487 0.120 0.000 0.972 705 N HN 0.402 nan 8.380 nan 0.000 0.434 706 S N 0.017 115.818 115.700 0.168 0.000 2.447 706 S HA -0.005 4.477 4.470 0.020 0.000 0.233 706 S C 2.124 176.834 174.600 0.184 0.000 1.006 706 S CA 0.263 58.558 58.200 0.159 0.000 0.957 706 S CB 0.044 63.312 63.200 0.115 0.000 0.773 706 S HN 0.090 nan 8.310 nan 0.000 0.507 707 V N 0.928 120.945 119.914 0.171 0.000 2.307 707 V HA -0.184 3.948 4.120 0.020 0.000 0.245 707 V C 1.970 178.209 176.094 0.242 0.000 1.045 707 V CA 1.856 64.260 62.300 0.173 0.000 1.024 707 V CB -0.806 31.090 31.823 0.123 0.000 0.651 707 V HN 0.643 nan 8.190 nan 0.000 0.449 708 Y N 2.205 122.597 120.300 0.153 0.000 2.097 708 Y HA -0.161 4.402 4.550 0.021 0.000 0.282 708 Y C 2.326 178.344 175.900 0.197 0.000 1.152 708 Y CA 1.865 60.058 58.100 0.155 0.000 1.136 708 Y CB -1.071 37.510 38.460 0.201 0.000 0.975 708 Y HN 0.159 nan 8.280 nan 0.000 0.498 709 G N -0.221 108.473 108.800 -0.176 0.000 2.442 709 G HA2 -0.351 3.621 3.960 0.020 0.000 0.219 709 G HA3 -0.351 3.621 3.960 0.020 0.000 0.219 709 G C 1.677 176.541 174.900 -0.061 0.000 1.141 709 G CA 0.877 45.826 45.100 -0.252 0.000 0.763 709 G HN 0.558 nan 8.290 nan 0.000 0.554 710 F N 2.699 122.622 119.950 -0.046 0.000 2.126 710 F HA -0.192 4.347 4.527 0.019 0.000 0.299 710 F C 3.026 178.854 175.800 0.046 0.000 1.096 710 F CA 2.414 60.435 58.000 0.034 0.000 1.255 710 F CB -0.516 38.543 39.000 0.100 0.000 0.997 710 F HN 0.231 nan 8.300 nan 0.000 0.479 711 T N -2.747 111.862 114.554 0.092 0.000 2.962 711 T HA 0.001 4.363 4.350 0.020 0.000 0.270 711 T C 2.001 176.621 174.700 -0.135 0.000 1.088 711 T CA 0.998 63.085 62.100 -0.023 0.000 1.127 711 T CB -0.972 67.840 68.868 -0.093 0.000 0.883 711 T HN 0.307 nan 8.240 nan 0.000 0.493 712 G N 0.418 109.109 108.800 -0.182 0.000 3.088 712 G HA2 0.520 4.492 3.960 0.020 0.000 0.217 712 G HA3 0.520 4.492 3.960 0.020 0.000 0.217 712 G C 0.477 175.394 174.900 0.029 0.000 1.159 712 G CA -0.005 45.053 45.100 -0.071 0.000 0.760 712 G HN 0.774 nan 8.290 nan 0.000 0.550 713 A N 1.100 123.872 122.820 -0.079 0.000 2.391 713 A HA 0.509 4.841 4.320 0.020 0.000 0.316 713 A C 1.556 179.087 177.584 -0.088 0.000 1.381 713 A CA 0.323 52.316 52.037 -0.075 0.000 0.998 713 A CB 0.134 19.070 19.000 -0.108 0.000 1.147 713 A HN 0.280 nan 8.150 nan 0.000 0.545 714 T N -0.346 114.190 114.554 -0.029 0.000 3.035 714 T HA -0.018 4.344 4.350 0.020 0.000 0.268 714 T C 0.572 175.245 174.700 -0.045 0.000 1.109 714 T CA 1.038 63.120 62.100 -0.031 0.000 1.119 714 T CB -0.369 68.500 68.868 0.002 0.000 0.900 714 T HN 0.243 nan 8.240 nan 0.000 0.503 715 V N 2.242 122.128 119.914 -0.046 0.000 2.153 715 V HA 0.684 4.816 4.120 0.020 0.000 0.250 715 V C 0.873 176.929 176.094 -0.064 0.000 1.334 715 V CA 0.156 62.425 62.300 -0.051 0.000 1.249 715 V CB -0.730 31.065 31.823 -0.047 0.000 1.371 715 V HN 0.873 nan 8.190 nan 0.000 0.498 716 G N 2.918 111.671 108.800 -0.077 0.000 2.313 716 G HA2 0.354 4.326 3.960 0.020 0.000 0.296 716 G HA3 0.354 4.326 3.960 0.020 0.000 0.296 716 G C -0.443 174.393 174.900 -0.108 0.000 1.356 716 G CA -0.637 44.401 45.100 -0.104 0.000 0.833 716 G HN 0.250 nan 8.290 nan 0.000 0.552 717 K N -1.111 119.222 120.400 -0.111 0.000 2.402 717 K HA 0.355 4.687 4.320 0.020 0.000 0.204 717 K C 0.042 176.608 176.600 -0.058 0.000 1.056 717 K CA -0.002 56.254 56.287 -0.052 0.000 1.069 717 K CB 0.703 33.215 32.500 0.021 0.000 0.888 717 K HN 0.123 nan 8.250 nan 0.000 0.546 718 L N 2.022 123.145 121.223 -0.167 0.000 2.669 718 L HA 0.280 4.632 4.340 0.020 0.000 0.273 718 L C -2.772 174.116 176.870 0.029 0.000 1.441 718 L CA -1.974 52.847 54.840 -0.031 0.000 0.745 718 L CB 0.857 42.957 42.059 0.067 0.000 1.044 718 L HN -0.167 nan 8.230 nan 0.000 0.523 719 P HA 0.066 nan 4.420 nan 0.000 0.268 719 P C -0.643 176.846 177.300 0.315 0.000 1.205 719 P CA -0.049 63.086 63.100 0.058 0.000 0.771 719 P CB 1.256 32.963 31.700 0.012 0.000 0.858 720 C N 5.352 124.773 119.300 0.202 0.000 2.949 720 C HA 0.265 4.737 4.460 0.020 0.000 0.306 720 C C 1.653 176.632 174.990 -0.017 0.000 1.045 720 C CA -0.506 58.622 59.018 0.183 0.000 1.414 720 C CB -1.281 26.445 27.740 -0.024 0.000 1.854 720 C HN 0.560 nan 8.230 nan 0.000 0.487 721 L N 3.374 124.585 121.223 -0.020 0.000 2.275 721 L HA -0.024 4.328 4.340 0.020 0.000 0.215 721 L C 2.688 179.483 176.870 -0.125 0.000 1.119 721 L CA 1.513 56.250 54.840 -0.171 0.000 0.790 721 L CB -0.608 41.370 42.059 -0.134 0.000 0.919 721 L HN 0.821 nan 8.230 nan 0.000 0.443 722 A N 1.060 123.868 122.820 -0.020 0.000 1.917 722 A HA -0.220 4.112 4.320 0.020 0.000 0.219 722 A C 2.207 179.873 177.584 0.137 0.000 1.182 722 A CA 1.807 53.870 52.037 0.044 0.000 0.633 722 A CB -0.536 18.462 19.000 -0.003 0.000 0.819 722 A HN 0.368 nan 8.150 nan 0.000 0.448 723 I N 0.180 120.798 120.570 0.080 0.000 2.193 723 I HA -0.212 3.970 4.170 0.020 0.000 0.240 723 I C 2.974 179.053 176.117 -0.062 0.000 1.084 723 I CA 1.467 62.778 61.300 0.018 0.000 1.365 723 I CB -0.422 37.500 38.000 -0.129 0.000 1.064 723 I HN 0.507 nan 8.210 nan 0.000 0.410 724 S N 0.220 115.831 115.700 -0.148 0.000 2.359 724 S HA -0.182 4.300 4.470 0.020 0.000 0.224 724 S C 2.120 176.618 174.600 -0.169 0.000 1.035 724 S CA 1.699 59.809 58.200 -0.150 0.000 1.018 724 S CB -0.750 62.148 63.200 -0.502 0.000 0.876 724 S HN 0.321 nan 8.310 nan 0.000 0.448 725 S N 1.804 117.290 115.700 -0.356 0.000 2.382 725 S HA -0.024 4.458 4.470 0.020 0.000 0.228 725 S C 2.232 176.787 174.600 -0.075 0.000 1.027 725 S CA 1.206 59.307 58.200 -0.164 0.000 0.991 725 S CB -0.610 62.507 63.200 -0.138 0.000 0.823 725 S HN 0.636 nan 8.310 nan 0.000 0.469 726 S N 1.098 116.761 115.700 -0.062 0.000 2.368 726 S HA -0.073 4.409 4.470 0.020 0.000 0.225 726 S C 2.036 176.594 174.600 -0.070 0.000 1.030 726 S CA 1.047 59.197 58.200 -0.082 0.000 0.999 726 S CB -0.399 62.811 63.200 0.015 0.000 0.844 726 S HN 0.327 nan 8.310 nan 0.000 0.459 727 V N 2.230 122.096 119.914 -0.080 0.000 2.255 727 V HA -0.219 3.913 4.120 0.020 0.000 0.247 727 V C 2.901 178.748 176.094 -0.412 0.000 1.051 727 V CA 2.211 64.374 62.300 -0.228 0.000 1.018 727 V CB -1.595 30.011 31.823 -0.362 0.000 0.641 727 V HN 0.772 nan 8.190 nan 0.000 0.445 728 T N -1.159 113.209 114.554 -0.311 0.000 2.821 728 T HA -0.105 4.257 4.350 0.020 0.000 0.267 728 T C 1.924 176.560 174.700 -0.107 0.000 1.046 728 T CA 1.417 63.381 62.100 -0.225 0.000 1.139 728 T CB -0.474 68.442 68.868 0.080 0.000 0.871 728 T HN 0.471 nan 8.240 nan 0.000 0.454 729 A N 0.908 123.667 122.820 -0.102 0.000 1.865 729 A HA -0.019 4.313 4.320 0.020 0.000 0.217 729 A C 2.176 179.669 177.584 -0.152 0.000 1.191 729 A CA 1.528 53.486 52.037 -0.132 0.000 0.623 729 A CB -1.387 17.494 19.000 -0.198 0.000 0.826 729 A HN 0.526 nan 8.150 nan 0.000 0.444 730 Y N 0.278 120.475 120.300 -0.170 0.000 2.151 730 Y HA -0.183 4.379 4.550 0.020 0.000 0.284 730 Y C 2.812 178.606 175.900 -0.176 0.000 1.166 730 Y CA 1.145 59.136 58.100 -0.182 0.000 1.163 730 Y CB -1.053 37.276 38.460 -0.218 0.000 0.974 730 Y HN 0.324 nan 8.280 nan 0.000 0.511 731 G N -0.461 108.311 108.800 -0.048 0.000 2.446 731 G HA2 -0.253 3.719 3.960 0.020 0.000 0.217 731 G HA3 -0.253 3.719 3.960 0.020 0.000 0.217 731 G C 1.787 176.674 174.900 -0.022 0.000 1.168 731 G CA 0.947 46.009 45.100 -0.064 0.000 0.771 731 G HN 0.300 nan 8.290 nan 0.000 0.551 732 R N 0.150 120.648 120.500 -0.003 0.000 2.091 732 R HA -0.107 4.245 4.340 0.020 0.000 0.238 732 R C 3.031 179.343 176.300 0.021 0.000 1.136 732 R CA 1.916 58.023 56.100 0.013 0.000 0.959 732 R CB -0.939 29.366 30.300 0.008 0.000 0.856 732 R HN 0.562 nan 8.270 nan 0.000 0.437 733 T N -0.972 113.591 114.554 0.015 0.000 2.788 733 T HA -0.117 4.245 4.350 0.020 0.000 0.268 733 T C 1.967 176.733 174.700 0.110 0.000 1.044 733 T CA 1.201 63.332 62.100 0.051 0.000 1.139 733 T CB -0.120 68.775 68.868 0.045 0.000 0.867 733 T HN 0.122 nan 8.240 nan 0.000 0.454 734 M N 0.245 119.881 119.600 0.061 0.000 2.156 734 M HA 0.219 4.711 4.480 0.020 0.000 0.264 734 M C 2.439 178.825 176.300 0.144 0.000 1.067 734 M CA 1.342 56.664 55.300 0.036 0.000 1.131 734 M CB -0.415 31.904 32.600 -0.469 0.000 1.368 734 M HN 0.236 nan 8.290 nan 0.000 0.416 735 I N 0.434 121.059 120.570 0.092 0.000 2.252 735 I HA -0.263 3.919 4.170 0.020 0.000 0.245 735 I C 2.238 178.432 176.117 0.128 0.000 1.102 735 I CA 0.983 62.369 61.300 0.143 0.000 1.385 735 I CB 0.055 38.106 38.000 0.085 0.000 1.064 735 I HN 0.199 nan 8.210 nan 0.000 0.414 736 L N 1.421 122.704 121.223 0.100 0.000 2.012 736 L HA -0.275 4.077 4.340 0.020 0.000 0.210 736 L C 2.461 179.401 176.870 0.117 0.000 1.073 736 L CA 2.154 57.046 54.840 0.088 0.000 0.748 736 L CB -0.913 41.185 42.059 0.065 0.000 0.891 736 L HN 0.205 nan 8.230 nan 0.000 0.431 737 K N -1.627 118.874 120.400 0.168 0.000 2.097 737 K HA -0.164 4.168 4.320 0.020 0.000 0.206 737 K C 1.855 178.584 176.600 0.214 0.000 1.049 737 K CA 1.858 58.257 56.287 0.185 0.000 0.933 737 K CB -0.185 32.466 32.500 0.252 0.000 0.717 737 K HN 0.422 nan 8.250 nan 0.000 0.442 738 T N 1.097 115.833 114.554 0.304 0.000 2.708 738 T HA -0.166 4.196 4.350 0.020 0.000 0.266 738 T C 1.723 176.511 174.700 0.147 0.000 1.037 738 T CA 1.665 63.925 62.100 0.266 0.000 1.146 738 T CB -0.154 68.896 68.868 0.304 0.000 0.865 738 T HN 0.345 nan 8.240 nan 0.000 0.435 739 K N 0.437 120.902 120.400 0.108 0.000 2.032 739 K HA -0.147 4.185 4.320 0.020 0.000 0.209 739 K C 2.309 178.947 176.600 0.063 0.000 1.048 739 K CA 1.684 58.005 56.287 0.056 0.000 0.927 739 K CB -0.310 32.213 32.500 0.037 0.000 0.712 739 K HN 0.245 nan 8.250 nan 0.000 0.441 740 T N 0.730 115.330 114.554 0.076 0.000 2.708 740 T HA -0.113 4.249 4.350 0.020 0.000 0.266 740 T C 1.904 176.655 174.700 0.086 0.000 1.037 740 T CA 1.355 63.496 62.100 0.067 0.000 1.146 740 T CB -0.322 68.582 68.868 0.061 0.000 0.865 740 T HN 0.430 nan 8.240 nan 0.000 0.435 741 A N 0.988 123.878 122.820 0.116 0.000 1.902 741 A HA -0.028 4.304 4.320 0.020 0.000 0.217 741 A C 2.599 180.320 177.584 0.228 0.000 1.181 741 A CA 1.268 53.409 52.037 0.173 0.000 0.623 741 A CB -1.032 18.064 19.000 0.160 0.000 0.818 741 A HN 0.341 nan 8.150 nan 0.000 0.443 742 V N 0.094 120.134 119.914 0.210 0.000 2.287 742 V HA -0.335 3.797 4.120 0.020 0.000 0.248 742 V C 2.655 178.848 176.094 0.165 0.000 1.053 742 V CA 2.338 64.783 62.300 0.242 0.000 1.027 742 V CB -0.930 30.954 31.823 0.102 0.000 0.646 742 V HN 0.648 nan 8.190 nan 0.000 0.447 743 Q N -0.564 119.281 119.800 0.076 0.000 2.119 743 Q HA -0.207 4.145 4.340 0.020 0.000 0.201 743 Q C 2.247 178.271 176.000 0.039 0.000 0.972 743 Q CA 1.537 57.365 55.803 0.041 0.000 0.847 743 Q CB -0.131 28.619 28.738 0.021 0.000 0.903 743 Q HN 0.705 nan 8.270 nan 0.000 0.433 744 E N 0.603 120.827 120.200 0.040 0.000 2.152 744 E HA -0.137 4.225 4.350 0.020 0.000 0.192 744 E C 1.829 178.404 176.600 -0.042 0.000 0.983 744 E CA 0.636 57.044 56.400 0.014 0.000 0.818 744 E CB 0.118 29.834 29.700 0.028 0.000 0.758 744 E HN 0.173 nan 8.360 nan 0.000 0.467 745 K N 0.379 120.718 120.400 -0.103 0.000 2.021 745 K HA -0.058 4.274 4.320 0.020 0.000 0.205 745 K C 0.166 176.474 176.600 -0.487 0.000 1.047 745 K CA 0.706 56.776 56.287 -0.363 0.000 0.943 745 K CB 0.102 32.199 32.500 -0.672 0.000 0.725 745 K HN -0.004 nan 8.250 nan 0.000 0.439 746 Y N 1.719 121.864 120.300 -0.259 0.000 2.724 746 Y HA 0.160 4.722 4.550 0.020 0.000 0.332 746 Y C -0.160 175.618 175.900 -0.203 0.000 1.276 746 Y CA -0.958 56.817 58.100 -0.541 0.000 1.597 746 Y CB -0.099 38.167 38.460 -0.323 0.000 1.584 746 Y HN 0.198 nan 8.280 nan 0.000 0.478 747 C N -1.251 118.079 119.300 0.051 0.000 3.171 747 C HA 0.545 5.017 4.460 0.020 0.000 0.308 747 C C 1.419 176.535 174.990 0.209 0.000 1.334 747 C CA -1.189 57.910 59.018 0.135 0.000 1.473 747 C CB 0.486 28.271 27.740 0.074 0.000 1.866 747 C HN 0.693 nan 8.230 nan 0.000 0.465 748 I N 1.565 122.218 120.570 0.139 0.000 2.286 748 I HA -0.197 3.985 4.170 0.020 0.000 0.248 748 I C 2.714 178.868 176.117 0.063 0.000 1.115 748 I CA 2.138 63.496 61.300 0.096 0.000 1.392 748 I CB -0.159 37.870 38.000 0.048 0.000 1.065 748 I HN 0.910 nan 8.210 nan 0.000 0.418 749 K N 0.245 120.678 120.400 0.054 0.000 2.439 749 K HA -0.083 4.249 4.320 0.020 0.000 0.197 749 K C 0.983 177.596 176.600 0.021 0.000 1.041 749 K CA 1.144 57.446 56.287 0.026 0.000 0.970 749 K CB -0.130 32.382 32.500 0.020 0.000 0.773 749 K HN 0.217 nan 8.250 nan 0.000 0.479 750 N N 0.494 119.230 118.700 0.061 0.000 2.268 750 N HA 0.088 4.840 4.740 0.020 0.000 0.204 750 N C 0.363 175.844 175.510 -0.047 0.000 1.124 750 N CA 0.781 53.857 53.050 0.044 0.000 0.838 750 N CB 1.181 39.740 38.487 0.120 0.000 0.994 750 N HN 0.540 nan 8.380 nan 0.000 0.489 751 G N -0.225 108.536 108.800 -0.064 0.000 2.157 751 G HA2 -0.269 3.703 3.960 0.020 0.000 0.239 751 G HA3 -0.269 3.703 3.960 0.020 0.000 0.239 751 G C -0.281 174.440 174.900 -0.298 0.000 0.982 751 G CA -0.250 44.735 45.100 -0.191 0.000 0.650 751 G HN 0.311 nan 8.290 nan 0.000 0.527 752 Y N 0.041 120.330 120.300 -0.019 0.000 2.326 752 Y HA 0.552 5.114 4.550 0.020 0.000 0.324 752 Y C 1.846 177.724 175.900 -0.037 0.000 1.291 752 Y CA -0.095 58.011 58.100 0.009 0.000 1.348 752 Y CB 0.792 39.310 38.460 0.096 0.000 1.294 752 Y HN -0.043 nan 8.280 nan 0.000 0.525 753 K N -0.152 120.304 120.400 0.094 0.000 2.228 753 K HA -0.008 4.324 4.320 0.020 0.000 0.202 753 K C -0.532 175.812 176.600 -0.427 0.000 1.051 753 K CA 1.005 57.173 56.287 -0.198 0.000 0.960 753 K CB 0.029 32.377 32.500 -0.255 0.000 0.743 753 K HN 0.648 nan 8.250 nan 0.000 0.458 754 H N -0.924 118.234 119.070 0.146 0.000 2.946 754 H HA 0.218 4.786 4.556 0.020 0.000 0.365 754 H C -1.353 174.046 175.328 0.119 0.000 1.197 754 H CA -1.082 55.032 56.048 0.110 0.000 1.131 754 H CB 1.439 31.255 29.762 0.090 0.000 1.849 754 H HN -0.157 nan 8.280 nan 0.000 0.555 755 D N 1.262 121.789 120.400 0.212 0.000 2.339 755 D HA 0.322 4.974 4.640 0.020 0.000 0.241 755 D C -0.030 176.326 176.300 0.093 0.000 1.183 755 D CA -0.248 53.831 54.000 0.131 0.000 0.859 755 D CB 0.794 41.649 40.800 0.091 0.000 1.067 755 D HN 0.656 nan 8.370 nan 0.000 0.484 756 A N 2.443 125.300 122.820 0.062 0.000 2.498 756 A HA 0.300 4.632 4.320 0.020 0.000 0.239 756 A C 0.067 177.595 177.584 -0.094 0.000 1.068 756 A CA -0.101 51.893 52.037 -0.072 0.000 0.766 756 A CB 0.469 19.369 19.000 -0.167 0.000 1.003 756 A HN 0.384 nan 8.150 nan 0.000 0.497 757 V N 3.605 123.428 119.914 -0.151 0.000 2.531 757 V HA 0.261 4.394 4.120 0.020 0.000 0.301 757 V C -0.158 175.836 176.094 -0.166 0.000 1.034 757 V CA -0.604 61.635 62.300 -0.102 0.000 0.865 757 V CB 1.800 33.600 31.823 -0.039 0.000 0.995 757 V HN 0.639 nan 8.190 nan 0.000 0.424 758 V N 6.273 126.115 119.914 -0.121 0.000 2.387 758 V HA 0.079 4.212 4.120 0.020 0.000 0.260 758 V C 1.113 177.172 176.094 -0.057 0.000 1.054 758 V CA 0.420 62.647 62.300 -0.121 0.000 0.967 758 V CB 1.305 33.078 31.823 -0.084 0.000 1.036 758 V HN 0.854 nan 8.190 nan 0.000 0.481 759 V N 3.095 122.965 119.914 -0.072 0.000 3.235 759 V HA 0.292 4.424 4.120 0.020 0.000 0.259 759 V C 0.247 176.434 176.094 0.154 0.000 1.133 759 V CA 0.770 63.080 62.300 0.016 0.000 1.128 759 V CB -0.550 31.209 31.823 -0.107 0.000 0.757 759 V HN 0.668 nan 8.190 nan 0.000 0.469 760 Y N -0.865 119.400 120.300 -0.058 0.000 2.741 760 Y HA 0.703 5.265 4.550 0.020 0.000 0.339 760 Y C -0.373 175.506 175.900 -0.035 0.000 1.226 760 Y CA -0.526 57.562 58.100 -0.020 0.000 1.072 760 Y CB 1.218 39.678 38.460 0.000 0.000 1.331 760 Y HN 0.336 nan 8.280 nan 0.000 0.453 761 G N 2.170 110.385 108.800 -0.976 0.000 2.404 761 G HA2 0.432 4.404 3.960 0.020 0.000 0.298 761 G HA3 0.432 4.404 3.960 0.020 0.000 0.298 761 G C -2.704 171.749 174.900 -0.745 0.000 1.577 761 G CA -0.682 44.023 45.100 -0.659 0.000 0.847 761 G HN 0.583 nan 8.290 nan 0.000 0.598 762 D N 0.200 120.375 120.400 -0.375 0.000 2.602 762 D HA 0.548 5.200 4.640 0.020 0.000 0.245 762 D C 1.085 177.350 176.300 -0.059 0.000 1.325 762 D CA 0.790 54.679 54.000 -0.185 0.000 0.952 762 D CB 1.251 42.022 40.800 -0.048 0.000 1.317 762 D HN 0.658 nan 8.370 nan 0.000 0.577 763 T N 2.526 117.063 114.554 -0.028 0.000 13.097 763 T HA -0.264 4.099 4.350 0.020 0.000 0.418 763 T C 0.546 175.269 174.700 0.039 0.000 1.446 763 T CA 1.821 63.928 62.100 0.011 0.000 2.371 763 T CB -1.100 67.756 68.868 -0.021 0.000 2.810 763 T HN 0.651 nan 8.240 nan 0.000 0.655 764 D N 1.101 121.533 120.400 0.053 0.000 2.651 764 D HA 0.341 4.993 4.640 0.020 0.000 0.280 764 D C -0.066 176.341 176.300 0.178 0.000 1.496 764 D CA 0.547 54.656 54.000 0.181 0.000 0.792 764 D CB -0.087 40.811 40.800 0.164 0.000 1.144 764 D HN 0.725 nan 8.370 nan 0.000 0.470 765 S N -0.441 115.285 115.700 0.044 0.000 2.570 765 S HA 0.799 5.281 4.470 0.020 0.000 0.286 765 S C -0.383 174.172 174.600 -0.075 0.000 1.099 765 S CA -0.638 57.545 58.200 -0.028 0.000 0.913 765 S CB 2.233 65.415 63.200 -0.029 0.000 1.085 765 S HN 0.459 nan 8.310 nan 0.000 0.480 766 V N -0.859 118.996 119.914 -0.098 0.000 2.709 766 V HA 0.761 4.893 4.120 0.020 0.000 0.308 766 V C -1.066 174.943 176.094 -0.142 0.000 1.062 766 V CA -1.029 61.199 62.300 -0.120 0.000 0.901 766 V CB 1.323 33.088 31.823 -0.097 0.000 1.003 766 V HN 0.841 nan 8.190 nan 0.000 0.425 767 M N 4.376 123.883 119.600 -0.154 0.000 2.088 767 M HA 0.618 5.111 4.480 0.020 0.000 0.346 767 M C -0.572 175.574 176.300 -0.257 0.000 1.111 767 M CA -0.202 54.973 55.300 -0.208 0.000 1.017 767 M CB 1.415 33.882 32.600 -0.221 0.000 1.568 767 M HN 0.595 nan 8.290 nan 0.000 0.445 768 V N 3.524 123.243 119.914 -0.324 0.000 2.417 768 V HA 0.432 4.564 4.120 0.020 0.000 0.291 768 V C -0.093 175.699 176.094 -0.503 0.000 1.024 768 V CA -1.004 61.003 62.300 -0.487 0.000 0.861 768 V CB 1.696 33.038 31.823 -0.802 0.000 0.985 768 V HN 0.690 nan 8.190 nan 0.000 0.436 769 K N 3.499 123.638 120.400 -0.435 0.000 2.266 769 K HA 0.352 4.684 4.320 0.020 0.000 0.274 769 K C 0.119 176.532 176.600 -0.311 0.000 1.090 769 K CA -0.397 55.703 56.287 -0.311 0.000 0.925 769 K CB 0.291 32.666 32.500 -0.208 0.000 1.225 769 K HN 0.536 nan 8.250 nan 0.000 0.458 770 F N 1.729 121.564 119.950 -0.193 0.000 2.325 770 F HA 0.048 4.587 4.527 0.020 0.000 0.299 770 F C 1.915 177.635 175.800 -0.133 0.000 1.090 770 F CA 1.552 59.448 58.000 -0.172 0.000 1.392 770 F CB 0.449 39.315 39.000 -0.224 0.000 1.053 770 F HN 0.920 nan 8.300 nan 0.000 0.521 771 G N -1.111 107.641 108.800 -0.080 0.000 2.307 771 G HA2 -0.242 3.730 3.960 0.020 0.000 0.210 771 G HA3 -0.242 3.730 3.960 0.020 0.000 0.210 771 G C 0.670 175.234 174.900 -0.560 0.000 1.005 771 G CA 0.076 44.927 45.100 -0.416 0.000 0.634 771 G HN 0.372 nan 8.290 nan 0.000 0.496 772 T N 1.364 115.794 114.554 -0.206 0.000 2.900 772 T HA 0.440 4.802 4.350 0.020 0.000 0.307 772 T C 1.970 176.560 174.700 -0.183 0.000 1.065 772 T CA 1.655 63.684 62.100 -0.118 0.000 1.105 772 T CB 0.879 69.711 68.868 -0.061 0.000 0.979 772 T HN 0.913 nan 8.240 nan 0.000 0.544 773 T N 0.716 115.188 114.554 -0.136 0.000 3.081 773 T HA 0.170 4.532 4.350 0.020 0.000 0.250 773 T C 0.373 174.930 174.700 -0.238 0.000 1.100 773 T CA -0.141 61.863 62.100 -0.160 0.000 1.038 773 T CB -0.078 68.770 68.868 -0.034 0.000 0.962 773 T HN 0.612 nan 8.240 nan 0.000 0.516 774 D N 0.569 120.843 120.400 -0.210 0.000 2.249 774 D HA 0.331 4.983 4.640 0.020 0.000 0.246 774 D C 1.008 177.115 176.300 -0.322 0.000 1.114 774 D CA -0.728 53.147 54.000 -0.209 0.000 0.854 774 D CB 1.193 41.917 40.800 -0.125 0.000 1.132 774 D HN -0.047 nan 8.370 nan 0.000 0.461 775 L N 5.046 126.052 121.223 -0.362 0.000 1.994 775 L HA -0.047 4.305 4.340 0.020 0.000 0.208 775 L C 2.021 178.717 176.870 -0.290 0.000 1.071 775 L CA 1.846 56.434 54.840 -0.421 0.000 0.745 775 L CB -0.613 41.185 42.059 -0.434 0.000 0.892 775 L HN 0.565 nan 8.230 nan 0.000 0.431 776 K N -0.546 119.728 120.400 -0.210 0.000 2.097 776 K HA -0.271 4.061 4.320 0.020 0.000 0.206 776 K C 2.142 178.608 176.600 -0.223 0.000 1.049 776 K CA 1.842 58.024 56.287 -0.175 0.000 0.933 776 K CB -0.179 32.252 32.500 -0.114 0.000 0.717 776 K HN 0.560 nan 8.250 nan 0.000 0.442 777 E N -0.142 119.927 120.200 -0.218 0.000 2.106 777 E HA -0.176 4.186 4.350 0.020 0.000 0.192 777 E C 1.727 178.118 176.600 -0.348 0.000 0.984 777 E CA 1.019 57.275 56.400 -0.239 0.000 0.806 777 E CB -0.120 29.473 29.700 -0.178 0.000 0.750 777 E HN 0.421 nan 8.360 nan 0.000 0.458 778 A N 0.794 123.411 122.820 -0.337 0.000 1.902 778 A HA -0.172 4.160 4.320 0.020 0.000 0.217 778 A C 2.185 179.475 177.584 -0.490 0.000 1.181 778 A CA 1.666 53.487 52.037 -0.359 0.000 0.623 778 A CB -0.477 18.372 19.000 -0.252 0.000 0.818 778 A HN 0.321 nan 8.150 nan 0.000 0.443 779 M N -0.644 118.658 119.600 -0.498 0.000 2.175 779 M HA -0.120 4.372 4.480 0.020 0.000 0.264 779 M C 1.427 177.221 176.300 -0.843 0.000 1.063 779 M CA 1.428 56.225 55.300 -0.838 0.000 1.119 779 M CB -0.502 31.816 32.600 -0.471 0.000 1.377 779 M HN 0.269 nan 8.290 nan 0.000 0.415 780 D N 0.790 120.875 120.400 -0.525 0.000 2.117 780 D HA -0.076 4.576 4.640 0.020 0.000 0.198 780 D C 2.109 178.123 176.300 -0.477 0.000 0.982 780 D CA 1.239 54.994 54.000 -0.408 0.000 0.828 780 D CB -0.288 40.348 40.800 -0.273 0.000 0.967 780 D HN 0.308 nan 8.370 nan 0.000 0.464 781 L N 0.554 121.377 121.223 -0.667 0.000 2.046 781 L HA -0.066 4.286 4.340 0.020 0.000 0.208 781 L C 2.574 178.903 176.870 -0.902 0.000 1.077 781 L CA 1.381 55.630 54.840 -0.985 0.000 0.747 781 L CB -0.672 40.328 42.059 -1.764 0.000 0.896 781 L HN 0.082 nan 8.230 nan 0.000 0.432 782 G N -0.838 107.512 108.800 -0.751 0.000 2.446 782 G HA2 -0.256 3.716 3.960 0.020 0.000 0.217 782 G HA3 -0.256 3.716 3.960 0.020 0.000 0.217 782 G C 1.576 176.358 174.900 -0.196 0.000 1.168 782 G CA 1.374 46.306 45.100 -0.279 0.000 0.771 782 G HN 0.286 nan 8.290 nan 0.000 0.551 783 T N 0.267 114.596 114.554 -0.376 0.000 2.708 783 T HA -0.095 4.267 4.350 0.020 0.000 0.266 783 T C 2.120 176.791 174.700 -0.048 0.000 1.037 783 T CA 1.513 63.537 62.100 -0.127 0.000 1.146 783 T CB -0.205 68.562 68.868 -0.169 0.000 0.865 783 T HN 0.542 nan 8.240 nan 0.000 0.435 784 E N 0.919 121.063 120.200 -0.095 0.000 2.085 784 E HA -0.157 4.205 4.350 0.020 0.000 0.194 784 E C 2.389 179.079 176.600 0.150 0.000 0.994 784 E CA 1.107 57.522 56.400 0.024 0.000 0.801 784 E CB -0.217 29.493 29.700 0.016 0.000 0.743 784 E HN 0.469 nan 8.360 nan 0.000 0.453 785 A N 1.206 124.090 122.820 0.106 0.000 1.902 785 A HA -0.087 4.245 4.320 0.020 0.000 0.217 785 A C 2.403 180.136 177.584 0.248 0.000 1.181 785 A CA 1.812 54.024 52.037 0.291 0.000 0.623 785 A CB -0.753 18.344 19.000 0.161 0.000 0.818 785 A HN 0.423 nan 8.150 nan 0.000 0.443 786 A N -0.262 122.635 122.820 0.129 0.000 1.933 786 A HA -0.157 4.175 4.320 0.020 0.000 0.218 786 A C 2.117 179.749 177.584 0.080 0.000 1.175 786 A CA 1.992 54.068 52.037 0.065 0.000 0.628 786 A CB -0.409 18.615 19.000 0.040 0.000 0.814 786 A HN 0.585 nan 8.150 nan 0.000 0.444 787 K N -1.652 118.816 120.400 0.114 0.000 2.057 787 K HA -0.185 4.147 4.320 0.020 0.000 0.206 787 K C 1.972 178.661 176.600 0.148 0.000 1.050 787 K CA 1.622 57.978 56.287 0.114 0.000 0.935 787 K CB -0.414 32.150 32.500 0.106 0.000 0.715 787 K HN 0.509 nan 8.250 nan 0.000 0.439 788 Y N 1.149 121.503 120.300 0.091 0.000 2.114 788 Y HA -0.189 4.373 4.550 0.020 0.000 0.284 788 Y C 1.780 177.731 175.900 0.085 0.000 1.143 788 Y CA 1.462 59.612 58.100 0.084 0.000 1.135 788 Y CB -0.545 37.977 38.460 0.102 0.000 0.980 788 Y HN -0.157 nan 8.280 nan 0.000 0.499 789 V N -0.015 119.793 119.914 -0.176 0.000 2.392 789 V HA -0.305 3.827 4.120 0.020 0.000 0.249 789 V C 2.426 178.503 176.094 -0.028 0.000 1.059 789 V CA 2.149 64.311 62.300 -0.229 0.000 1.051 789 V CB -0.991 30.858 31.823 0.045 0.000 0.658 789 V HN 0.476 nan 8.190 nan 0.000 0.455 790 S N 0.331 116.073 115.700 0.069 0.000 2.419 790 S HA -0.190 4.292 4.470 0.020 0.000 0.233 790 S C 2.131 176.804 174.600 0.122 0.000 1.016 790 S CA 1.765 60.080 58.200 0.191 0.000 0.974 790 S CB -0.479 62.807 63.200 0.143 0.000 0.786 790 S HN 0.889 nan 8.310 nan 0.000 0.492 791 T N -0.078 114.465 114.554 -0.018 0.000 3.051 791 T HA 0.067 4.429 4.350 0.020 0.000 0.269 791 T C 1.288 175.887 174.700 -0.168 0.000 1.127 791 T CA 0.528 62.593 62.100 -0.058 0.000 1.107 791 T CB -0.260 68.578 68.868 -0.050 0.000 0.898 791 T HN 0.128 nan 8.240 nan 0.000 0.517 792 L N -0.263 120.774 121.223 -0.310 0.000 2.558 792 L HA 0.495 4.847 4.340 0.020 0.000 0.225 792 L C -0.046 176.418 176.870 -0.678 0.000 1.128 792 L CA 0.017 54.535 54.840 -0.538 0.000 0.868 792 L CB -1.019 40.572 42.059 -0.780 0.000 1.006 792 L HN 0.313 nan 8.230 nan 0.000 0.454 793 F N -1.110 118.819 119.950 -0.034 0.000 2.598 793 F HA 0.411 4.951 4.527 0.021 0.000 0.327 793 F C 0.785 176.531 175.800 -0.091 0.000 1.057 793 F CA -1.171 56.811 58.000 -0.030 0.000 0.957 793 F CB 1.107 40.123 39.000 0.025 0.000 1.278 793 F HN -0.369 nan 8.300 nan 0.000 0.484 794 K N 1.046 121.493 120.400 0.079 0.000 2.350 794 K HA 0.125 4.457 4.320 0.020 0.000 0.279 794 K C -0.419 176.154 176.600 -0.045 0.000 1.027 794 K CA -0.531 55.701 56.287 -0.093 0.000 0.969 794 K CB 0.334 32.741 32.500 -0.155 0.000 0.954 794 K HN 0.521 nan 8.250 nan 0.000 0.474 795 H N 3.764 122.805 119.070 -0.048 0.000 2.972 795 H HA -0.018 4.550 4.556 0.020 0.000 0.343 795 H C -1.783 173.481 175.328 -0.107 0.000 1.054 795 H CA -1.433 54.585 56.048 -0.050 0.000 1.412 795 H CB 0.519 30.260 29.762 -0.034 0.000 1.385 795 H HN 0.503 nan 8.280 nan 0.000 0.600 796 P HA 0.175 nan 4.420 nan 0.000 0.262 796 P C 0.163 177.490 177.300 0.044 0.000 1.651 796 P CA -0.091 63.033 63.100 0.040 0.000 1.119 796 P CB -0.062 31.626 31.700 -0.020 0.000 1.552 797 I N 1.117 121.716 120.570 0.048 0.000 2.710 797 I HA 0.027 4.209 4.170 0.020 0.000 0.286 797 I C 0.915 177.142 176.117 0.184 0.000 1.181 797 I CA 0.712 62.046 61.300 0.057 0.000 1.430 797 I CB 0.045 38.025 38.000 -0.033 0.000 1.367 797 I HN 0.083 nan 8.210 nan 0.000 0.577 798 N N 5.923 124.760 118.700 0.229 0.000 2.503 798 N HA 0.274 5.026 4.740 0.020 0.000 0.287 798 N C -1.834 173.753 175.510 0.127 0.000 1.096 798 N CA -0.710 52.447 53.050 0.178 0.000 0.936 798 N CB 1.806 40.347 38.487 0.091 0.000 1.570 798 N HN 0.303 nan 8.380 nan 0.000 0.504 799 L N 3.604 124.801 121.223 -0.044 0.000 2.289 799 L HA 0.456 4.808 4.340 0.020 0.000 0.285 799 L C -0.193 176.586 176.870 -0.150 0.000 1.049 799 L CA -0.058 54.563 54.840 -0.365 0.000 0.804 799 L CB 0.925 42.632 42.059 -0.587 0.000 1.195 799 L HN 0.573 nan 8.230 nan 0.000 0.428 800 E N 3.860 123.975 120.200 -0.141 0.000 2.312 800 E HA 0.311 4.673 4.350 0.020 0.000 0.267 800 E C -1.172 175.410 176.600 -0.031 0.000 0.894 800 E CA -0.880 55.493 56.400 -0.044 0.000 0.773 800 E CB 1.525 31.211 29.700 -0.024 0.000 1.241 800 E HN 0.399 nan 8.360 nan 0.000 0.432 801 F N 2.100 121.998 119.950 -0.086 0.000 2.506 801 F HA 0.137 4.677 4.527 0.021 0.000 0.371 801 F C 0.848 176.591 175.800 -0.094 0.000 1.078 801 F CA 0.220 58.164 58.000 -0.094 0.000 1.195 801 F CB 1.214 40.166 39.000 -0.081 0.000 1.099 801 F HN 0.800 nan 8.300 nan 0.000 0.548 802 E N 4.046 123.726 120.200 -0.866 0.000 2.152 802 E HA 0.089 4.451 4.350 0.020 0.000 0.195 802 E C -0.152 175.840 176.600 -1.013 0.000 0.934 802 E CA 0.270 56.255 56.400 -0.692 0.000 0.869 802 E CB 0.292 29.753 29.700 -0.399 0.000 0.842 802 E HN 0.615 nan 8.360 nan 0.000 0.472 803 K N -0.922 118.677 120.400 -1.334 0.000 2.672 803 K HA 0.541 4.874 4.320 0.020 0.000 0.295 803 K C -1.805 174.349 176.600 -0.743 0.000 1.042 803 K CA -0.565 55.057 56.287 -1.108 0.000 0.869 803 K CB 0.875 32.554 32.500 -1.367 0.000 1.541 803 K HN 0.006 nan 8.250 nan 0.000 0.396 804 A N 0.809 123.442 122.820 -0.311 0.000 2.350 804 A HA 0.706 5.039 4.320 0.020 0.000 0.324 804 A C -1.707 175.798 177.584 -0.133 0.000 1.118 804 A CA -0.657 51.323 52.037 -0.094 0.000 0.783 804 A CB 0.551 19.623 19.000 0.119 0.000 1.236 804 A HN 0.488 nan 8.150 nan 0.000 0.457 805 Y N 0.845 121.157 120.300 0.021 0.000 2.330 805 Y HA 0.626 5.188 4.550 0.020 0.000 0.336 805 Y C -0.673 175.420 175.900 0.321 0.000 1.036 805 Y CA -0.585 57.623 58.100 0.180 0.000 1.125 805 Y CB 1.642 40.098 38.460 -0.007 0.000 1.194 805 Y HN 0.526 nan 8.280 nan 0.000 0.469 806 F N 6.524 126.747 119.950 0.455 0.000 3.240 806 F HA 0.437 4.976 4.527 0.020 0.000 0.370 806 F C -3.081 172.957 175.800 0.398 0.000 1.271 806 F CA -3.074 55.088 58.000 0.269 0.000 1.224 806 F CB 1.075 40.049 39.000 -0.042 0.000 1.624 806 F HN 0.224 nan 8.300 nan 0.000 0.658 807 P HA 0.272 nan 4.420 nan 0.000 0.279 807 P C -1.819 175.616 177.300 0.225 0.000 1.282 807 P CA -0.113 63.071 63.100 0.140 0.000 0.788 807 P CB 1.191 32.772 31.700 -0.197 0.000 1.139 808 Y N 0.174 120.431 120.300 -0.072 0.000 2.354 808 Y HA 0.496 5.058 4.550 0.020 0.000 0.330 808 Y C -1.626 174.232 175.900 -0.070 0.000 1.011 808 Y CA -1.345 56.725 58.100 -0.049 0.000 1.099 808 Y CB 1.112 39.564 38.460 -0.014 0.000 1.179 808 Y HN 0.131 nan 8.280 nan 0.000 0.442 809 L N 8.171 129.160 121.223 -0.390 0.000 2.301 809 L HA 0.533 4.885 4.340 0.020 0.000 0.278 809 L C -1.950 174.654 176.870 -0.443 0.000 1.022 809 L CA -0.701 53.998 54.840 -0.236 0.000 0.854 809 L CB 0.782 42.859 42.059 0.030 0.000 1.226 809 L HN 0.626 nan 8.230 nan 0.000 0.429 810 L N 6.136 127.110 121.223 -0.415 0.000 2.262 810 L HA 0.410 4.762 4.340 0.020 0.000 0.288 810 L C 0.354 177.117 176.870 -0.178 0.000 1.035 810 L CA 0.271 54.863 54.840 -0.414 0.000 0.820 810 L CB 0.888 42.753 42.059 -0.323 0.000 1.204 810 L HN 0.595 nan 8.230 nan 0.000 0.424 811 I N 3.453 123.936 120.570 -0.145 0.000 2.729 811 I HA 0.220 4.402 4.170 0.020 0.000 0.256 811 I C 0.876 176.949 176.117 -0.074 0.000 1.115 811 I CA 0.477 61.726 61.300 -0.084 0.000 1.446 811 I CB -0.377 37.583 38.000 -0.066 0.000 1.176 811 I HN 0.654 nan 8.210 nan 0.000 0.446 812 N N 0.023 118.668 118.700 -0.092 0.000 3.339 812 N HA 0.133 4.886 4.740 0.020 0.000 0.275 812 N C -1.107 174.351 175.510 -0.086 0.000 1.514 812 N CA -0.562 52.451 53.050 -0.062 0.000 0.879 812 N CB 1.651 40.125 38.487 -0.021 0.000 1.557 812 N HN -0.144 nan 8.380 nan 0.000 0.524 813 K N 1.515 121.929 120.400 0.024 0.000 2.472 813 K HA -0.012 4.321 4.320 0.020 0.000 0.280 813 K C 0.035 176.720 176.600 0.142 0.000 1.028 813 K CA 0.774 57.159 56.287 0.163 0.000 1.045 813 K CB 0.244 32.873 32.500 0.215 0.000 0.902 813 K HN 0.509 nan 8.250 nan 0.000 0.478 814 K N 1.107 121.664 120.400 0.261 0.000 3.341 814 K HA -0.203 4.130 4.320 0.020 0.000 0.305 814 K C -0.607 176.002 176.600 0.015 0.000 1.270 814 K CA 0.960 57.362 56.287 0.192 0.000 0.897 814 K CB -0.548 32.034 32.500 0.137 0.000 1.264 814 K HN 0.500 nan 8.250 nan 0.000 0.468 815 R N 0.404 120.903 120.500 -0.001 0.000 2.521 815 R HA 0.354 4.706 4.340 0.020 0.000 0.295 815 R C -0.881 175.386 176.300 -0.056 0.000 1.183 815 R CA -0.529 55.519 56.100 -0.087 0.000 0.957 815 R CB 0.776 31.043 30.300 -0.055 0.000 1.171 815 R HN 0.270 nan 8.270 nan 0.000 0.494 816 Y N -1.211 118.993 120.300 -0.160 0.000 2.713 816 Y HA 0.833 5.396 4.550 0.021 0.000 0.335 816 Y C -1.685 174.097 175.900 -0.196 0.000 1.222 816 Y CA -1.385 56.555 58.100 -0.266 0.000 1.061 816 Y CB 1.255 39.463 38.460 -0.421 0.000 1.314 816 Y HN 0.494 nan 8.280 nan 0.000 0.453 817 A N 0.468 123.275 122.820 -0.021 0.000 2.556 817 A HA 1.007 5.339 4.320 0.020 0.000 0.294 817 A C -0.609 176.976 177.584 0.002 0.000 1.091 817 A CA -0.527 51.512 52.037 0.002 0.000 0.704 817 A CB 1.522 20.519 19.000 -0.004 0.000 1.300 817 A HN 2.068 nan 8.150 nan 0.000 0.406 818 G N -0.374 108.489 108.800 0.106 0.000 2.556 818 G HA2 0.522 4.494 3.960 0.020 0.000 0.294 818 G HA3 0.522 4.494 3.960 0.020 0.000 0.294 818 G C -1.373 173.759 174.900 0.386 0.000 1.516 818 G CA -0.836 44.407 45.100 0.238 0.000 0.824 818 G HN 0.770 nan 8.290 nan 0.000 0.535 819 L N 1.051 122.447 121.223 0.288 0.000 2.410 819 L HA 0.341 4.694 4.340 0.020 0.000 0.273 819 L C -0.332 176.769 176.870 0.384 0.000 1.144 819 L CA -0.246 54.653 54.840 0.098 0.000 0.863 819 L CB 0.727 42.676 42.059 -0.184 0.000 1.140 819 L HN 0.515 nan 8.230 nan 0.000 0.463 820 F N 3.537 123.516 119.950 0.048 0.000 2.361 820 F HA 0.394 4.933 4.527 0.020 0.000 0.364 820 F C -1.016 174.775 175.800 -0.015 0.000 1.117 820 F CA -0.705 57.342 58.000 0.079 0.000 1.071 820 F CB 0.625 39.687 39.000 0.103 0.000 1.188 820 F HN 0.318 nan 8.300 nan 0.000 0.464 821 W N 4.388 125.720 121.300 0.053 0.000 2.587 821 W HA 0.406 5.078 4.660 0.020 0.000 0.324 821 W C 0.441 176.965 176.519 0.007 0.000 1.040 821 W CA -0.686 56.747 57.345 0.147 0.000 1.222 821 W CB 1.899 31.466 29.460 0.179 0.000 1.381 821 W HN 0.522 nan 8.180 nan 0.000 0.483 822 T N -1.922 112.819 114.554 0.311 0.000 3.003 822 T HA 0.190 4.552 4.350 0.020 0.000 0.261 822 T C -0.096 174.751 174.700 0.244 0.000 1.003 822 T CA -0.164 62.057 62.100 0.202 0.000 0.917 822 T CB -0.333 68.637 68.868 0.170 0.000 1.084 822 T HN 0.403 nan 8.240 nan 0.000 0.522 823 N N 0.221 119.102 118.700 0.302 0.000 2.416 823 N HA 0.495 5.248 4.740 0.020 0.000 0.276 823 N C -2.879 172.845 175.510 0.357 0.000 1.261 823 N CA -1.961 51.244 53.050 0.258 0.000 0.790 823 N CB 1.405 40.004 38.487 0.187 0.000 1.554 823 N HN -0.265 nan 8.380 nan 0.000 0.481 824 P HA 0.081 nan 4.420 nan 0.000 0.245 824 P C -0.545 176.895 177.300 0.233 0.000 1.212 824 P CA 0.657 63.845 63.100 0.147 0.000 0.774 824 P CB 0.380 32.093 31.700 0.021 0.000 0.999 825 D N 0.133 120.720 120.400 0.313 0.000 2.338 825 D HA 0.068 4.720 4.640 0.020 0.000 0.224 825 D C 0.156 176.681 176.300 0.374 0.000 0.967 825 D CA 1.004 55.169 54.000 0.275 0.000 0.896 825 D CB 0.423 41.316 40.800 0.155 0.000 1.028 825 D HN 0.207 nan 8.370 nan 0.000 0.493 826 K N 0.498 121.101 120.400 0.339 0.000 2.513 826 K HA 0.303 4.635 4.320 0.020 0.000 0.251 826 K C -0.579 175.906 176.600 -0.192 0.000 0.939 826 K CA -0.654 55.655 56.287 0.037 0.000 0.793 826 K CB 1.769 34.204 32.500 -0.107 0.000 1.241 826 K HN -0.081 nan 8.250 nan 0.000 0.431 827 F N -0.029 119.470 119.950 -0.750 0.000 2.450 827 F HA 0.316 4.855 4.527 0.020 0.000 0.339 827 F C 0.484 176.058 175.800 -0.376 0.000 1.146 827 F CA -0.224 57.155 58.000 -1.036 0.000 1.267 827 F CB 0.638 38.610 39.000 -1.713 0.000 1.178 827 F HN 0.461 nan 8.300 nan 0.000 0.585 828 D N 0.446 120.880 120.400 0.056 0.000 2.162 828 D HA 0.024 4.676 4.640 0.020 0.000 0.205 828 D C 0.176 176.528 176.300 0.087 0.000 0.964 828 D CA 1.360 55.397 54.000 0.062 0.000 0.847 828 D CB 0.089 40.971 40.800 0.137 0.000 0.988 828 D HN 0.721 nan 8.370 nan 0.000 0.480 829 K N -1.200 119.326 120.400 0.211 0.000 2.685 829 K HA 0.208 4.540 4.320 0.020 0.000 0.290 829 K C -1.497 175.163 176.600 0.100 0.000 1.018 829 K CA -0.802 55.569 56.287 0.140 0.000 0.860 829 K CB 0.977 33.444 32.500 -0.057 0.000 1.498 829 K HN -0.182 nan 8.250 nan 0.000 0.390 830 L N 2.979 124.223 121.223 0.035 0.000 2.312 830 L HA 0.286 4.638 4.340 0.020 0.000 0.287 830 L C -0.858 176.055 176.870 0.071 0.000 1.091 830 L CA 0.432 55.277 54.840 0.008 0.000 0.846 830 L CB 0.184 42.224 42.059 -0.032 0.000 1.219 830 L HN 0.786 nan 8.230 nan 0.000 0.439 831 D N 4.042 124.556 120.400 0.191 0.000 2.256 831 D HA 0.323 4.975 4.640 0.020 0.000 0.250 831 D C -0.697 175.686 176.300 0.138 0.000 1.093 831 D CA 0.110 54.237 54.000 0.213 0.000 0.882 831 D CB 0.962 42.091 40.800 0.549 0.000 1.185 831 D HN 0.527 nan 8.370 nan 0.000 0.437 832 Q N 2.619 122.442 119.800 0.039 0.000 2.304 832 Q HA 0.398 4.750 4.340 0.020 0.000 0.270 832 Q C -0.677 175.235 176.000 -0.147 0.000 1.035 832 Q CA -1.033 54.736 55.803 -0.058 0.000 0.781 832 Q CB 2.449 31.160 28.738 -0.045 0.000 1.261 832 Q HN 0.192 nan 8.270 nan 0.000 0.444 833 K N 0.895 121.074 120.400 -0.368 0.000 2.323 833 K HA 0.463 4.795 4.320 0.020 0.000 0.259 833 K C 0.640 177.045 176.600 -0.325 0.000 0.947 833 K CA -0.065 55.966 56.287 -0.426 0.000 0.819 833 K CB 1.795 33.799 32.500 -0.827 0.000 1.109 833 K HN 0.929 nan 8.250 nan 0.000 0.429 834 G N 2.095 110.794 108.800 -0.168 0.000 2.304 834 G HA2 -0.293 3.679 3.960 0.020 0.000 0.252 834 G HA3 -0.293 3.679 3.960 0.020 0.000 0.252 834 G C 0.351 175.204 174.900 -0.079 0.000 1.014 834 G CA 0.083 45.121 45.100 -0.103 0.000 0.619 834 G HN 0.471 nan 8.290 nan 0.000 0.525 835 L N 0.480 121.646 121.223 -0.095 0.000 2.483 835 L HA 0.378 4.730 4.340 0.020 0.000 0.275 835 L C 2.315 179.161 176.870 -0.041 0.000 1.220 835 L CA 0.223 55.025 54.840 -0.065 0.000 0.833 835 L CB 0.129 42.148 42.059 -0.065 0.000 1.102 835 L HN 0.280 nan 8.230 nan 0.000 0.490 836 A N 1.504 124.306 122.820 -0.030 0.000 2.032 836 A HA -0.196 4.136 4.320 0.020 0.000 0.221 836 A C 2.209 179.784 177.584 -0.014 0.000 1.165 836 A CA 2.043 54.068 52.037 -0.019 0.000 0.645 836 A CB -0.710 18.279 19.000 -0.017 0.000 0.807 836 A HN 0.907 nan 8.150 nan 0.000 0.453 837 S N -0.586 115.105 115.700 -0.015 0.000 2.555 837 S HA 0.043 4.525 4.470 0.020 0.000 0.230 837 S C 1.114 175.705 174.600 -0.015 0.000 0.978 837 S CA 0.968 59.163 58.200 -0.008 0.000 0.934 837 S CB -0.488 62.710 63.200 -0.003 0.000 0.766 837 S HN 1.160 nan 8.310 nan 0.000 0.533 838 V N -2.410 117.490 119.914 -0.023 0.000 3.253 838 V HA 0.476 4.608 4.120 0.020 0.000 0.320 838 V C 0.105 176.189 176.094 -0.016 0.000 1.442 838 V CA -0.881 61.406 62.300 -0.023 0.000 1.097 838 V CB -0.586 31.218 31.823 -0.032 0.000 1.008 838 V HN 0.196 nan 8.190 nan 0.000 0.463 839 R N 0.697 121.189 120.500 -0.013 0.000 2.312 839 R HA 0.539 4.891 4.340 0.020 0.000 0.311 839 R C 0.592 176.890 176.300 -0.003 0.000 1.004 839 R CA -0.531 55.566 56.100 -0.005 0.000 0.902 839 R CB 1.507 31.805 30.300 -0.005 0.000 1.073 839 R HN 0.235 nan 8.270 nan 0.000 0.457 840 R N 1.079 121.582 120.500 0.006 0.000 2.307 840 R HA -0.076 4.276 4.340 0.020 0.000 0.199 840 R C 0.472 176.771 176.300 -0.002 0.000 1.000 840 R CA 0.902 57.005 56.100 0.006 0.000 1.023 840 R CB 0.097 30.413 30.300 0.026 0.000 0.908 840 R HN 0.647 nan 8.270 nan 0.000 0.473 841 D N -0.839 119.558 120.400 -0.004 0.000 2.339 841 D HA 0.000 4.653 4.640 0.020 0.000 0.217 841 D C -0.018 176.269 176.300 -0.021 0.000 1.050 841 D CA -0.003 53.986 54.000 -0.018 0.000 0.856 841 D CB 0.160 40.955 40.800 -0.009 0.000 0.922 841 D HN -0.223 nan 8.370 nan 0.000 0.518 842 S N 0.481 116.174 115.700 -0.012 0.000 2.580 842 S HA 0.283 4.765 4.470 0.020 0.000 0.274 842 S C 0.841 175.438 174.600 -0.005 0.000 1.329 842 S CA -0.814 57.384 58.200 -0.004 0.000 1.036 842 S CB 0.850 64.050 63.200 0.001 0.000 0.919 842 S HN 0.578 nan 8.310 nan 0.000 0.515 843 C N 2.132 121.445 119.300 0.023 0.000 2.657 843 C HA 0.411 4.883 4.460 0.020 0.000 0.404 843 C C 2.029 177.033 174.990 0.023 0.000 1.291 843 C CA -0.220 58.818 59.018 0.032 0.000 2.218 843 C CB -0.181 27.632 27.740 0.121 0.000 2.687 843 C HN 0.936 nan 8.230 nan 0.000 0.634 844 S N 1.909 117.612 115.700 0.006 0.000 2.453 844 S HA -0.182 4.300 4.470 0.020 0.000 0.231 844 S C 1.515 176.127 174.600 0.021 0.000 1.005 844 S CA 1.077 59.281 58.200 0.006 0.000 0.949 844 S CB -0.709 62.488 63.200 -0.006 0.000 0.774 844 S HN 1.071 nan 8.310 nan 0.000 0.510 845 L N 2.106 123.341 121.223 0.019 0.000 1.990 845 L HA -0.070 4.282 4.340 0.020 0.000 0.213 845 L C 2.380 179.280 176.870 0.050 0.000 1.072 845 L CA 1.813 56.669 54.840 0.026 0.000 0.755 845 L CB -0.885 41.178 42.059 0.008 0.000 0.889 845 L HN 0.222 nan 8.230 nan 0.000 0.432 846 V N -0.748 119.199 119.914 0.055 0.000 2.307 846 V HA -0.237 3.895 4.120 0.020 0.000 0.245 846 V C 2.584 178.707 176.094 0.048 0.000 1.045 846 V CA 1.841 64.173 62.300 0.052 0.000 1.024 846 V CB -0.701 31.146 31.823 0.041 0.000 0.651 846 V HN 0.546 nan 8.190 nan 0.000 0.449 847 S N 0.023 115.744 115.700 0.035 0.000 2.359 847 S HA -0.157 4.325 4.470 0.020 0.000 0.224 847 S C 1.894 176.520 174.600 0.044 0.000 1.035 847 S CA 1.846 60.063 58.200 0.028 0.000 1.018 847 S CB -0.374 62.832 63.200 0.011 0.000 0.876 847 S HN 0.491 nan 8.310 nan 0.000 0.448 848 I N 0.974 121.578 120.570 0.056 0.000 2.179 848 I HA -0.147 4.035 4.170 0.020 0.000 0.242 848 I C 2.190 178.393 176.117 0.143 0.000 1.088 848 I CA 0.918 62.265 61.300 0.078 0.000 1.357 848 I CB -0.447 37.603 38.000 0.084 0.000 1.051 848 I HN 0.150 nan 8.210 nan 0.000 0.409 849 V N 0.524 120.552 119.914 0.189 0.000 2.307 849 V HA -0.302 3.830 4.120 0.020 0.000 0.245 849 V C 2.474 178.709 176.094 0.235 0.000 1.045 849 V CA 1.868 64.365 62.300 0.329 0.000 1.024 849 V CB -0.480 31.452 31.823 0.182 0.000 0.651 849 V HN 0.364 nan 8.190 nan 0.000 0.449 850 M N -0.022 119.655 119.600 0.130 0.000 2.082 850 M HA -0.257 4.235 4.480 0.020 0.000 0.258 850 M C 2.075 178.412 176.300 0.063 0.000 1.069 850 M CA 2.289 57.640 55.300 0.085 0.000 1.102 850 M CB -0.838 31.790 32.600 0.047 0.000 1.336 850 M HN 0.453 nan 8.290 nan 0.000 0.404 851 N N 0.032 118.761 118.700 0.048 0.000 2.069 851 N HA -0.186 4.566 4.740 0.020 0.000 0.191 851 N C 1.617 177.124 175.510 -0.004 0.000 1.031 851 N CA 1.265 54.325 53.050 0.017 0.000 0.852 851 N CB -0.072 38.420 38.487 0.008 0.000 1.018 851 N HN 0.367 nan 8.380 nan 0.000 0.423 852 K N 0.559 120.950 120.400 -0.015 0.000 2.057 852 K HA -0.045 4.287 4.320 0.020 0.000 0.206 852 K C 2.069 178.616 176.600 -0.089 0.000 1.050 852 K CA 0.775 56.983 56.287 -0.131 0.000 0.935 852 K CB -0.125 32.148 32.500 -0.378 0.000 0.715 852 K HN 0.023 nan 8.250 nan 0.000 0.439 853 V N 2.096 122.029 119.914 0.032 0.000 2.343 853 V HA -0.237 3.895 4.120 0.020 0.000 0.247 853 V C 2.251 178.359 176.094 0.022 0.000 1.051 853 V CA 1.576 63.914 62.300 0.062 0.000 1.036 853 V CB -0.400 31.496 31.823 0.123 0.000 0.654 853 V HN 0.265 nan 8.190 nan 0.000 0.451 854 L N -0.096 121.140 121.223 0.021 0.000 2.046 854 L HA -0.220 4.132 4.340 0.020 0.000 0.208 854 L C 2.600 179.471 176.870 0.001 0.000 1.077 854 L CA 2.098 56.949 54.840 0.019 0.000 0.747 854 L CB -0.623 41.447 42.059 0.019 0.000 0.896 854 L HN 0.343 nan 8.230 nan 0.000 0.432 855 K N 0.806 121.195 120.400 -0.020 0.000 2.026 855 K HA -0.218 4.114 4.320 0.020 0.000 0.208 855 K C 2.105 178.686 176.600 -0.031 0.000 1.048 855 K CA 1.547 57.815 56.287 -0.032 0.000 0.929 855 K CB 0.014 32.488 32.500 -0.043 0.000 0.713 855 K HN 0.173 nan 8.250 nan 0.000 0.439 856 K N 0.255 120.630 120.400 -0.042 0.000 2.147 856 K HA -0.094 4.238 4.320 0.020 0.000 0.205 856 K C 2.093 178.683 176.600 -0.016 0.000 1.049 856 K CA 1.516 57.781 56.287 -0.037 0.000 0.936 856 K CB -0.053 32.417 32.500 -0.051 0.000 0.722 856 K HN 0.230 nan 8.250 nan 0.000 0.446 857 I N -0.040 120.525 120.570 -0.008 0.000 2.270 857 I HA -0.199 3.983 4.170 0.020 0.000 0.239 857 I C 1.749 177.891 176.117 0.040 0.000 1.080 857 I CA 0.721 62.018 61.300 -0.006 0.000 1.383 857 I CB -0.027 37.953 38.000 -0.033 0.000 1.097 857 I HN -0.009 nan 8.210 nan 0.000 0.420 858 L N 0.143 121.403 121.223 0.061 0.000 2.156 858 L HA -0.076 4.276 4.340 0.020 0.000 0.208 858 L C 2.127 178.989 176.870 -0.013 0.000 1.095 858 L CA 1.736 56.623 54.840 0.079 0.000 0.770 858 L CB -0.316 41.781 42.059 0.063 0.000 0.914 858 L HN 0.191 nan 8.230 nan 0.000 0.439 859 I N -1.615 118.932 120.570 -0.038 0.000 2.685 859 I HA -0.066 4.116 4.170 0.020 0.000 0.251 859 I C 1.770 177.898 176.117 0.018 0.000 1.102 859 I CA 0.523 61.796 61.300 -0.046 0.000 1.442 859 I CB 0.059 38.033 38.000 -0.043 0.000 1.194 859 I HN 0.142 nan 8.210 nan 0.000 0.448 860 E N 0.899 121.106 120.200 0.013 0.000 2.478 860 E HA 0.089 4.451 4.350 0.020 0.000 0.194 860 E C -0.154 176.456 176.600 0.017 0.000 1.045 860 E CA -0.128 56.282 56.400 0.018 0.000 0.868 860 E CB 0.230 29.931 29.700 0.002 0.000 0.885 860 E HN 0.199 nan 8.360 nan 0.000 0.505 861 R N 1.270 121.781 120.500 0.017 0.000 3.251 861 R HA -0.175 4.177 4.340 0.020 0.000 0.249 861 R C -0.427 175.874 176.300 0.002 0.000 0.949 861 R CA 0.330 56.440 56.100 0.017 0.000 0.645 861 R CB -1.898 28.419 30.300 0.030 0.000 1.065 861 R HN 0.055 nan 8.270 nan 0.000 0.452 862 N N -0.034 118.662 118.700 -0.007 0.000 2.790 862 N HA 0.180 4.932 4.740 0.020 0.000 0.256 862 N C 0.701 176.201 175.510 -0.016 0.000 1.409 862 N CA -0.360 52.684 53.050 -0.010 0.000 0.799 862 N CB 1.148 39.631 38.487 -0.007 0.000 1.170 862 N HN -0.021 nan 8.380 nan 0.000 0.507 863 V N 1.129 121.026 119.914 -0.029 0.000 2.343 863 V HA -0.207 3.925 4.120 0.020 0.000 0.247 863 V C 1.500 177.584 176.094 -0.016 0.000 1.051 863 V CA 1.691 63.969 62.300 -0.036 0.000 1.036 863 V CB -0.276 31.510 31.823 -0.061 0.000 0.654 863 V HN 0.512 nan 8.190 nan 0.000 0.451 864 D N 0.821 121.214 120.400 -0.012 0.000 2.116 864 D HA -0.160 4.492 4.640 0.020 0.000 0.193 864 D C 2.212 178.518 176.300 0.009 0.000 0.998 864 D CA 1.879 55.876 54.000 -0.004 0.000 0.836 864 D CB -0.700 40.097 40.800 -0.004 0.000 0.951 864 D HN 0.482 nan 8.370 nan 0.000 0.449 865 G N 0.618 109.424 108.800 0.011 0.000 2.422 865 G HA2 -0.152 3.820 3.960 0.020 0.000 0.218 865 G HA3 -0.152 3.820 3.960 0.020 0.000 0.218 865 G C 1.729 176.663 174.900 0.056 0.000 1.146 865 G CA 1.292 46.407 45.100 0.024 0.000 0.769 865 G HN 0.409 nan 8.290 nan 0.000 0.547 866 A N 0.680 123.526 122.820 0.043 0.000 1.902 866 A HA 0.056 4.388 4.320 0.020 0.000 0.217 866 A C 2.435 180.087 177.584 0.114 0.000 1.181 866 A CA 1.349 53.438 52.037 0.087 0.000 0.623 866 A CB -0.410 18.617 19.000 0.045 0.000 0.818 866 A HN 0.359 nan 8.150 nan 0.000 0.443 867 L N -0.956 120.297 121.223 0.050 0.000 2.093 867 L HA -0.154 4.199 4.340 0.020 0.000 0.208 867 L C 3.088 179.963 176.870 0.009 0.000 1.085 867 L CA 0.950 55.799 54.840 0.016 0.000 0.755 867 L CB -0.632 41.420 42.059 -0.011 0.000 0.904 867 L HN 0.436 nan 8.230 nan 0.000 0.435 868 A N 0.019 122.859 122.820 0.034 0.000 1.933 868 A HA -0.271 4.062 4.320 0.020 0.000 0.218 868 A C 2.171 179.793 177.584 0.063 0.000 1.175 868 A CA 1.574 53.629 52.037 0.030 0.000 0.628 868 A CB -0.776 18.249 19.000 0.041 0.000 0.814 868 A HN 0.409 nan 8.150 nan 0.000 0.444 869 F N 0.638 120.567 119.950 -0.035 0.000 2.146 869 F HA -0.111 4.428 4.527 0.020 0.000 0.298 869 F C 2.199 177.979 175.800 -0.033 0.000 1.096 869 F CA 1.734 59.717 58.000 -0.028 0.000 1.275 869 F CB -0.338 38.652 39.000 -0.018 0.000 1.008 869 F HN 0.020 nan 8.300 nan 0.000 0.480 870 V N 0.912 120.757 119.914 -0.116 0.000 2.343 870 V HA -0.305 3.827 4.120 0.020 0.000 0.247 870 V C 2.478 178.409 176.094 -0.272 0.000 1.051 870 V CA 2.333 64.504 62.300 -0.216 0.000 1.036 870 V CB -0.707 31.067 31.823 -0.082 0.000 0.654 870 V HN 0.256 nan 8.190 nan 0.000 0.451 871 R N -0.073 120.301 120.500 -0.211 0.000 2.081 871 R HA -0.194 4.158 4.340 0.020 0.000 0.235 871 R C 2.348 178.540 176.300 -0.180 0.000 1.131 871 R CA 1.621 57.599 56.100 -0.204 0.000 0.960 871 R CB -0.341 29.874 30.300 -0.142 0.000 0.856 871 R HN 0.485 nan 8.270 nan 0.000 0.436 872 E N 0.058 120.151 120.200 -0.177 0.000 2.077 872 E HA -0.135 4.228 4.350 0.020 0.000 0.193 872 E C 1.633 178.108 176.600 -0.209 0.000 0.989 872 E CA 1.845 58.148 56.400 -0.162 0.000 0.800 872 E CB -0.100 29.526 29.700 -0.124 0.000 0.746 872 E HN 0.176 nan 8.360 nan 0.000 0.452 873 T N 0.484 114.835 114.554 -0.339 0.000 2.746 873 T HA -0.084 4.279 4.350 0.020 0.000 0.267 873 T C 1.884 176.485 174.700 -0.166 0.000 1.039 873 T CA 1.343 63.253 62.100 -0.317 0.000 1.142 873 T CB -0.248 68.348 68.868 -0.454 0.000 0.866 873 T HN 0.155 nan 8.240 nan 0.000 0.444 874 I N 1.472 121.944 120.570 -0.164 0.000 2.208 874 I HA -0.205 3.977 4.170 0.020 0.000 0.245 874 I C 2.574 178.666 176.117 -0.040 0.000 1.097 874 I CA 1.143 62.382 61.300 -0.101 0.000 1.363 874 I CB -0.376 37.509 38.000 -0.193 0.000 1.051 874 I HN 0.206 nan 8.210 nan 0.000 0.413 875 N N 0.949 119.621 118.700 -0.046 0.000 2.120 875 N HA -0.211 4.542 4.740 0.020 0.000 0.188 875 N C 1.463 177.023 175.510 0.083 0.000 1.024 875 N CA 1.571 54.642 53.050 0.036 0.000 0.852 875 N CB -0.080 38.383 38.487 -0.039 0.000 1.003 875 N HN 0.209 nan 8.380 nan 0.000 0.424 876 D N -0.063 120.336 120.400 -0.003 0.000 2.117 876 D HA -0.069 4.583 4.640 0.020 0.000 0.198 876 D C 2.009 178.322 176.300 0.022 0.000 0.982 876 D CA 0.671 54.673 54.000 0.003 0.000 0.828 876 D CB -0.209 40.563 40.800 -0.046 0.000 0.967 876 D HN 0.373 nan 8.370 nan 0.000 0.464 877 I N 0.607 121.180 120.570 0.005 0.000 2.127 877 I HA -0.252 3.930 4.170 0.020 0.000 0.241 877 I C 2.369 178.499 176.117 0.022 0.000 1.075 877 I CA 0.884 62.191 61.300 0.012 0.000 1.334 877 I CB -0.182 37.838 38.000 0.033 0.000 1.040 877 I HN -0.017 nan 8.210 nan 0.000 0.405 878 L N -0.523 120.717 121.223 0.028 0.000 2.291 878 L HA -0.172 4.180 4.340 0.020 0.000 0.214 878 L C 1.392 178.159 176.870 -0.171 0.000 1.120 878 L CA 1.077 55.890 54.840 -0.045 0.000 0.799 878 L CB -0.579 41.453 42.059 -0.045 0.000 0.925 878 L HN 0.342 nan 8.230 nan 0.000 0.446 879 H N -0.604 118.457 119.070 -0.015 0.000 2.507 879 H HA 0.150 4.718 4.556 0.020 0.000 0.294 879 H C -0.061 175.257 175.328 -0.017 0.000 1.064 879 H CA -0.385 55.654 56.048 -0.015 0.000 1.138 879 H CB -0.137 29.613 29.762 -0.021 0.000 1.515 879 H HN 0.175 nan 8.280 nan 0.000 0.547 880 N N 0.564 119.285 118.700 0.034 0.000 2.725 880 N HA -0.226 4.526 4.740 0.020 0.000 0.251 880 N C 0.251 175.769 175.510 0.013 0.000 1.031 880 N CA 0.391 53.447 53.050 0.010 0.000 0.720 880 N CB -0.536 37.952 38.487 0.002 0.000 0.930 880 N HN 0.486 nan 8.380 nan 0.000 0.543 881 R N -0.583 119.927 120.500 0.016 0.000 2.432 881 R HA 0.198 4.550 4.340 0.020 0.000 0.260 881 R C -0.392 175.898 176.300 -0.018 0.000 0.935 881 R CA -0.044 56.058 56.100 0.004 0.000 1.080 881 R CB 0.883 31.188 30.300 0.010 0.000 1.155 881 R HN 0.031 nan 8.270 nan 0.000 0.531 882 V N 1.723 121.616 119.914 -0.035 0.000 2.370 882 V HA 0.064 4.196 4.120 0.020 0.000 0.279 882 V C -0.087 175.968 176.094 -0.064 0.000 1.029 882 V CA -0.993 61.274 62.300 -0.055 0.000 0.870 882 V CB 1.393 33.167 31.823 -0.083 0.000 0.984 882 V HN 0.117 nan 8.190 nan 0.000 0.451 883 D N 2.888 123.258 120.400 -0.050 0.000 2.525 883 D HA -0.035 4.618 4.640 0.020 0.000 0.235 883 D C 1.231 177.489 176.300 -0.070 0.000 1.137 883 D CA 0.309 54.280 54.000 -0.048 0.000 0.868 883 D CB 0.707 41.487 40.800 -0.032 0.000 1.180 883 D HN 0.564 nan 8.370 nan 0.000 0.465 884 I N 2.646 123.178 120.570 -0.063 0.000 2.399 884 I HA -0.310 3.872 4.170 0.020 0.000 0.254 884 I C 1.886 177.962 176.117 -0.068 0.000 1.146 884 I CA 1.473 62.727 61.300 -0.075 0.000 1.412 884 I CB -0.095 37.881 38.000 -0.041 0.000 1.076 884 I HN 0.557 nan 8.210 nan 0.000 0.432 885 S N 0.423 116.094 115.700 -0.047 0.000 2.399 885 S HA -0.226 4.256 4.470 0.020 0.000 0.231 885 S C 1.852 176.424 174.600 -0.047 0.000 1.022 885 S CA 1.110 59.288 58.200 -0.037 0.000 0.983 885 S CB -0.469 62.716 63.200 -0.025 0.000 0.803 885 S HN 0.512 nan 8.310 nan 0.000 0.480 886 K N 0.753 121.116 120.400 -0.061 0.000 2.486 886 K HA 0.289 4.621 4.320 0.020 0.000 0.194 886 K C 1.335 177.881 176.600 -0.090 0.000 1.033 886 K CA 0.431 56.682 56.287 -0.059 0.000 1.004 886 K CB -0.187 32.283 32.500 -0.050 0.000 0.798 886 K HN 0.421 nan 8.250 nan 0.000 0.495 887 L N 0.615 121.745 121.223 -0.154 0.000 2.554 887 L HA 0.209 4.561 4.340 0.020 0.000 0.225 887 L C 0.550 177.405 176.870 -0.025 0.000 1.104 887 L CA -0.230 54.455 54.840 -0.260 0.000 0.866 887 L CB 0.077 41.758 42.059 -0.631 0.000 1.047 887 L HN 0.061 nan 8.230 nan 0.000 0.468 888 I N 1.704 122.248 120.570 -0.043 0.000 2.598 888 I HA 0.005 4.187 4.170 0.020 0.000 0.284 888 I C -0.129 175.921 176.117 -0.112 0.000 1.140 888 I CA 0.456 61.719 61.300 -0.061 0.000 1.420 888 I CB 0.572 38.545 38.000 -0.045 0.000 1.387 888 I HN 0.014 nan 8.210 nan 0.000 0.553 889 I N 5.780 126.169 120.570 -0.302 0.000 2.441 889 I HA 0.285 4.467 4.170 0.020 0.000 0.295 889 I C -0.158 175.687 176.117 -0.453 0.000 0.994 889 I CA -0.136 60.920 61.300 -0.406 0.000 1.144 889 I CB 1.700 39.315 38.000 -0.642 0.000 1.314 889 I HN 0.474 nan 8.210 nan 0.000 0.445 890 S N 5.678 121.254 115.700 -0.205 0.000 2.502 890 S HA 0.590 5.072 4.470 0.020 0.000 0.304 890 S C -0.714 173.851 174.600 -0.057 0.000 1.097 890 S CA -0.928 57.223 58.200 -0.082 0.000 1.045 890 S CB 1.502 64.688 63.200 -0.023 0.000 1.019 890 S HN 0.433 nan 8.310 nan 0.000 0.481 891 K N 1.343 121.711 120.400 -0.054 0.000 2.464 891 K HA 0.443 4.775 4.320 0.020 0.000 0.253 891 K C -0.873 175.683 176.600 -0.073 0.000 0.933 891 K CA -0.769 55.406 56.287 -0.188 0.000 0.801 891 K CB 1.975 34.106 32.500 -0.615 0.000 1.271 891 K HN 0.468 nan 8.250 nan 0.000 0.430 892 T N 2.299 116.874 114.554 0.036 0.000 2.888 892 T HA 0.035 4.397 4.350 0.020 0.000 0.301 892 T C -0.050 174.844 174.700 0.324 0.000 1.001 892 T CA -0.314 61.876 62.100 0.150 0.000 1.147 892 T CB 0.189 69.125 68.868 0.114 0.000 0.931 892 T HN 0.235 nan 8.240 nan 0.000 0.541 893 L N 4.078 125.484 121.223 0.306 0.000 2.361 893 L HA 0.525 4.877 4.340 0.020 0.000 0.278 893 L C 0.397 177.382 176.870 0.193 0.000 1.113 893 L CA -0.110 54.917 54.840 0.311 0.000 0.849 893 L CB -0.425 41.757 42.059 0.206 0.000 1.155 893 L HN 0.790 nan 8.230 nan 0.000 0.452 894 A N 7.496 130.403 122.820 0.145 0.000 2.286 894 A HA 0.626 4.958 4.320 0.020 0.000 0.286 894 A C -1.659 175.812 177.584 -0.188 0.000 1.097 894 A CA -0.991 50.962 52.037 -0.141 0.000 0.821 894 A CB -0.071 18.651 19.000 -0.465 0.000 1.076 894 A HN 0.744 nan 8.150 nan 0.000 0.490 895 P HA -0.065 nan 4.420 nan 0.000 0.216 895 P C -0.215 177.003 177.300 -0.138 0.000 1.153 895 P CA 1.427 64.467 63.100 -0.101 0.000 0.848 895 P CB -0.188 31.468 31.700 -0.074 0.000 0.787 896 N N -2.449 116.088 118.700 -0.273 0.000 2.647 896 N HA 0.446 5.198 4.740 0.020 0.000 0.266 896 N C -1.501 173.733 175.510 -0.461 0.000 1.373 896 N CA -0.914 52.001 53.050 -0.225 0.000 0.807 896 N CB 0.584 39.009 38.487 -0.104 0.000 1.513 896 N HN -0.168 nan 8.380 nan 0.000 0.505 897 Y N -1.598 118.669 120.300 -0.055 0.000 2.492 897 Y HA 0.479 5.039 4.550 0.017 0.000 0.346 897 Y C 0.611 176.470 175.900 -0.068 0.000 0.997 897 Y CA -0.745 57.313 58.100 -0.070 0.000 1.025 897 Y CB 2.861 41.257 38.460 -0.107 0.000 1.263 897 Y HN 0.692 nan 8.280 nan 0.000 0.454 898 T N 0.208 114.823 114.554 0.101 0.000 3.045 898 T HA 0.111 4.473 4.350 0.020 0.000 0.239 898 T C 0.061 174.768 174.700 0.012 0.000 1.008 898 T CA 0.300 62.422 62.100 0.037 0.000 1.143 898 T CB -0.050 68.827 68.868 0.015 0.000 0.894 898 T HN 0.502 nan 8.240 nan 0.000 0.451 899 N N 2.436 121.152 118.700 0.028 0.000 2.421 899 N HA 0.346 5.099 4.740 0.020 0.000 0.285 899 N C -2.979 172.427 175.510 -0.172 0.000 1.027 899 N CA -1.681 51.332 53.050 -0.062 0.000 0.918 899 N CB 1.627 40.099 38.487 -0.026 0.000 1.152 899 N HN 0.086 nan 8.380 nan 0.000 0.485 900 P HA 0.056 nan 4.420 nan 0.000 0.271 900 P C -1.008 175.952 177.300 -0.567 0.000 1.226 900 P CA -0.018 62.714 63.100 -0.613 0.000 0.765 900 P CB 0.672 31.771 31.700 -1.002 0.000 0.835 901 Q N 4.316 123.756 119.800 -0.600 0.000 2.266 901 Q HA 0.282 4.634 4.340 0.020 0.000 0.261 901 Q C -1.833 173.957 176.000 -0.351 0.000 0.985 901 Q CA -2.200 53.371 55.803 -0.387 0.000 0.873 901 Q CB 0.877 29.385 28.738 -0.384 0.000 1.306 901 Q HN 0.210 nan 8.270 nan 0.000 0.447 902 P HA -0.211 nan 4.420 nan 0.000 0.216 902 P C 1.084 178.146 177.300 -0.397 0.000 1.153 902 P CA 1.738 64.690 63.100 -0.245 0.000 0.858 902 P CB 0.046 31.557 31.700 -0.314 0.000 0.789 903 H N -1.172 117.587 119.070 -0.519 0.000 2.462 903 H HA 0.202 4.770 4.556 0.020 0.000 0.292 903 H C 1.634 176.839 175.328 -0.205 0.000 1.049 903 H CA 1.386 57.208 56.048 -0.378 0.000 1.334 903 H CB -1.009 28.680 29.762 -0.122 0.000 1.404 903 H HN 0.028 nan 8.280 nan 0.000 0.544 904 A N 1.496 123.856 122.820 -0.767 0.000 1.930 904 A HA 0.034 4.366 4.320 0.020 0.000 0.215 904 A C 2.763 180.129 177.584 -0.364 0.000 1.176 904 A CA 1.116 52.791 52.037 -0.604 0.000 0.632 904 A CB -0.742 17.609 19.000 -1.081 0.000 0.819 904 A HN 0.245 nan 8.150 nan 0.000 0.445 905 V N -0.026 119.679 119.914 -0.348 0.000 2.343 905 V HA -0.227 3.905 4.120 0.020 0.000 0.247 905 V C 2.512 178.513 176.094 -0.155 0.000 1.051 905 V CA 1.986 64.164 62.300 -0.204 0.000 1.036 905 V CB -0.718 31.035 31.823 -0.117 0.000 0.654 905 V HN 0.619 nan 8.190 nan 0.000 0.451 906 L N 1.018 122.140 121.223 -0.168 0.000 2.056 906 L HA -0.033 4.319 4.340 0.020 0.000 0.207 906 L C 2.445 179.260 176.870 -0.091 0.000 1.078 906 L CA 2.340 57.105 54.840 -0.125 0.000 0.749 906 L CB -1.001 40.991 42.059 -0.111 0.000 0.901 906 L HN 0.199 nan 8.230 nan 0.000 0.433 907 A N -0.809 121.964 122.820 -0.079 0.000 1.940 907 A HA -0.230 4.102 4.320 0.020 0.000 0.219 907 A C 2.306 179.863 177.584 -0.045 0.000 1.176 907 A CA 1.834 53.848 52.037 -0.038 0.000 0.631 907 A CB -0.692 18.299 19.000 -0.016 0.000 0.814 907 A HN 0.546 nan 8.150 nan 0.000 0.446 908 E N 0.037 120.197 120.200 -0.066 0.000 2.072 908 E HA -0.151 4.211 4.350 0.020 0.000 0.190 908 E C 2.185 178.750 176.600 -0.058 0.000 0.982 908 E CA 0.965 57.333 56.400 -0.053 0.000 0.803 908 E CB -0.354 29.309 29.700 -0.062 0.000 0.755 908 E HN 0.622 nan 8.360 nan 0.000 0.453 909 R N -0.316 120.135 120.500 -0.081 0.000 2.091 909 R HA -0.094 4.258 4.340 0.020 0.000 0.238 909 R C 2.536 178.773 176.300 -0.106 0.000 1.136 909 R CA 1.712 57.752 56.100 -0.102 0.000 0.959 909 R CB -0.142 30.075 30.300 -0.138 0.000 0.856 909 R HN 0.197 nan 8.270 nan 0.000 0.437 910 M N 0.090 119.634 119.600 -0.093 0.000 2.117 910 M HA -0.164 4.328 4.480 0.020 0.000 0.262 910 M C 2.058 178.338 176.300 -0.035 0.000 1.065 910 M CA 1.785 57.042 55.300 -0.072 0.000 1.114 910 M CB -0.024 32.551 32.600 -0.042 0.000 1.361 910 M HN 0.041 nan 8.290 nan 0.000 0.408 911 K N -0.226 120.160 120.400 -0.024 0.000 2.097 911 K HA -0.101 4.231 4.320 0.020 0.000 0.206 911 K C 2.013 178.608 176.600 -0.007 0.000 1.049 911 K CA 1.128 57.411 56.287 -0.005 0.000 0.933 911 K CB -0.158 32.342 32.500 -0.001 0.000 0.717 911 K HN 0.303 nan 8.250 nan 0.000 0.442 912 R N 0.616 121.103 120.500 -0.022 0.000 2.091 912 R HA -0.087 4.265 4.340 0.020 0.000 0.238 912 R C 2.329 178.621 176.300 -0.014 0.000 1.136 912 R CA 1.351 57.439 56.100 -0.019 0.000 0.959 912 R CB -0.205 30.076 30.300 -0.031 0.000 0.856 912 R HN 0.207 nan 8.270 nan 0.000 0.437 913 R N 0.197 120.680 120.500 -0.027 0.000 2.090 913 R HA -0.038 4.314 4.340 0.020 0.000 0.228 913 R C 1.349 177.659 176.300 0.015 0.000 1.110 913 R CA 0.891 56.984 56.100 -0.011 0.000 0.973 913 R CB 0.151 30.428 30.300 -0.038 0.000 0.869 913 R HN 0.259 nan 8.270 nan 0.000 0.440 914 E N -1.360 118.850 120.200 0.017 0.000 2.601 914 E HA 0.141 4.503 4.350 0.020 0.000 0.219 914 E C 0.968 177.592 176.600 0.041 0.000 0.964 914 E CA 0.543 56.965 56.400 0.036 0.000 1.050 914 E CB 1.586 31.313 29.700 0.045 0.000 1.068 914 E HN 0.449 nan 8.360 nan 0.000 0.496 915 G N 1.738 110.557 108.800 0.032 0.000 2.267 915 G HA2 -0.326 3.646 3.960 0.020 0.000 0.257 915 G HA3 -0.326 3.646 3.960 0.020 0.000 0.257 915 G C 0.556 175.484 174.900 0.046 0.000 0.998 915 G CA 0.765 45.888 45.100 0.039 0.000 0.620 915 G HN 0.378 nan 8.290 nan 0.000 0.529 916 V N -2.883 117.061 119.914 0.049 0.000 3.130 916 V HA 1.076 5.209 4.120 0.020 0.000 0.310 916 V C 0.264 176.377 176.094 0.033 0.000 1.158 916 V CA 0.240 62.569 62.300 0.050 0.000 1.029 916 V CB 1.731 33.600 31.823 0.075 0.000 1.057 916 V HN 1.932 nan 8.190 nan 0.000 0.436 917 G N 0.697 109.512 108.800 0.025 0.000 2.488 917 G HA2 0.677 4.649 3.960 0.020 0.000 0.301 917 G HA3 0.677 4.649 3.960 0.020 0.000 0.301 917 G C -3.509 171.400 174.900 0.015 0.000 1.339 917 G CA -0.981 44.128 45.100 0.015 0.000 0.803 917 G HN 0.722 nan 8.290 nan 0.000 0.482 918 P HA 0.168 nan 4.420 nan 0.000 0.265 918 P C -0.289 177.032 177.300 0.036 0.000 1.193 918 P CA 0.133 63.250 63.100 0.030 0.000 0.765 918 P CB 0.401 32.134 31.700 0.055 0.000 0.823 919 N N 0.184 118.905 118.700 0.035 0.000 2.482 919 N HA 0.312 5.064 4.740 0.020 0.000 0.279 919 N C -0.690 174.853 175.510 0.055 0.000 1.182 919 N CA -0.992 52.083 53.050 0.041 0.000 0.969 919 N CB 0.556 39.065 38.487 0.036 0.000 1.201 919 N HN 0.063 nan 8.380 nan 0.000 0.523 920 V N 1.216 121.163 119.914 0.054 0.000 2.625 920 V HA 0.071 4.203 4.120 0.020 0.000 0.305 920 V C 1.462 177.592 176.094 0.060 0.000 1.055 920 V CA 1.707 64.042 62.300 0.059 0.000 1.209 920 V CB -0.234 31.613 31.823 0.040 0.000 0.877 920 V HN 1.066 nan 8.190 nan 0.000 0.489 921 G N 3.557 112.400 108.800 0.072 0.000 2.213 921 G HA2 -0.184 3.788 3.960 0.020 0.000 0.236 921 G HA3 -0.184 3.788 3.960 0.020 0.000 0.236 921 G C -0.059 174.878 174.900 0.061 0.000 0.991 921 G CA 0.062 45.203 45.100 0.067 0.000 0.629 921 G HN 0.675 nan 8.290 nan 0.000 0.517 922 D N 0.732 121.171 120.400 0.065 0.000 2.313 922 D HA 0.457 5.109 4.640 0.020 0.000 0.247 922 D C 0.930 177.284 176.300 0.089 0.000 1.094 922 D CA -0.207 53.829 54.000 0.059 0.000 0.925 922 D CB 0.556 41.385 40.800 0.048 0.000 1.188 922 D HN 0.296 nan 8.370 nan 0.000 0.430 923 R N 0.535 121.082 120.500 0.078 0.000 2.340 923 R HA 0.344 4.696 4.340 0.020 0.000 0.300 923 R C -0.629 175.737 176.300 0.110 0.000 1.069 923 R CA -0.557 55.598 56.100 0.092 0.000 0.984 923 R CB 0.920 31.264 30.300 0.074 0.000 1.003 923 R HN 0.154 nan 8.270 nan 0.000 0.459 924 V N 3.892 123.901 119.914 0.158 0.000 2.370 924 V HA 0.106 4.238 4.120 0.020 0.000 0.283 924 V C -0.215 176.011 176.094 0.220 0.000 1.023 924 V CA -0.709 61.710 62.300 0.198 0.000 0.857 924 V CB 1.569 33.563 31.823 0.287 0.000 0.985 924 V HN 0.631 nan 8.190 nan 0.000 0.443 925 D N 4.388 124.887 120.400 0.165 0.000 2.210 925 D HA 0.558 5.210 4.640 0.020 0.000 0.249 925 D C -0.598 175.836 176.300 0.224 0.000 1.078 925 D CA 0.329 54.399 54.000 0.117 0.000 0.875 925 D CB 1.470 42.309 40.800 0.065 0.000 1.175 925 D HN 0.618 nan 8.370 nan 0.000 0.440 926 Y N -1.097 119.245 120.300 0.070 0.000 2.638 926 Y HA 0.613 5.175 4.550 0.020 0.000 0.335 926 Y C -1.245 174.722 175.900 0.112 0.000 1.155 926 Y CA -1.357 56.791 58.100 0.080 0.000 1.046 926 Y CB 0.730 39.234 38.460 0.073 0.000 1.303 926 Y HN 0.177 nan 8.280 nan 0.000 0.460 927 V N 0.137 120.229 119.914 0.296 0.000 2.914 927 V HA 0.672 4.804 4.120 0.020 0.000 0.314 927 V C -0.861 175.444 176.094 0.352 0.000 1.084 927 V CA -1.097 61.383 62.300 0.299 0.000 0.963 927 V CB 2.024 33.969 31.823 0.203 0.000 1.025 927 V HN 0.766 nan 8.190 nan 0.000 0.432 928 I N 4.454 125.222 120.570 0.331 0.000 2.352 928 I HA 0.415 4.597 4.170 0.020 0.000 0.290 928 I C 0.312 176.498 176.117 0.114 0.000 1.036 928 I CA -0.045 61.293 61.300 0.062 0.000 1.336 928 I CB 0.874 38.607 38.000 -0.446 0.000 1.407 928 I HN 0.809 nan 8.210 nan 0.000 0.497 929 I N 2.733 123.332 120.570 0.050 0.000 2.793 929 I HA 0.788 4.970 4.170 0.020 0.000 0.313 929 I C 0.705 176.835 176.117 0.020 0.000 0.998 929 I CA -0.709 60.630 61.300 0.064 0.000 1.140 929 I CB 1.507 39.550 38.000 0.072 0.000 1.327 929 I HN 0.500 nan 8.210 nan 0.000 0.491 930 G N 1.451 110.273 108.800 0.037 0.000 2.539 930 G HA2 0.572 4.544 3.960 0.020 0.000 0.258 930 G HA3 0.572 4.544 3.960 0.020 0.000 0.258 930 G C -0.118 174.783 174.900 0.001 0.000 1.202 930 G CA 0.050 45.163 45.100 0.021 0.000 0.851 930 G HN 1.367 nan 8.290 nan 0.000 0.556 931 G N -0.619 108.175 108.800 -0.010 0.000 2.368 931 G HA2 -0.036 3.936 3.960 0.020 0.000 0.302 931 G HA3 -0.036 3.936 3.960 0.020 0.000 0.302 931 G C 0.188 175.068 174.900 -0.034 0.000 1.329 931 G CA -0.001 45.087 45.100 -0.020 0.000 0.935 931 G HN 0.707 nan 8.290 nan 0.000 0.590 932 N N -0.849 117.828 118.700 -0.038 0.000 2.325 932 N HA 0.067 4.819 4.740 0.020 0.000 0.182 932 N C -0.077 175.393 175.510 -0.067 0.000 1.088 932 N CA -0.142 52.882 53.050 -0.042 0.000 0.879 932 N CB 0.160 38.629 38.487 -0.031 0.000 0.983 932 N HN 0.472 nan 8.380 nan 0.000 0.471 933 D N 1.512 121.860 120.400 -0.087 0.000 2.361 933 D HA 0.032 4.684 4.640 0.020 0.000 0.239 933 D C 0.193 176.381 176.300 -0.186 0.000 1.200 933 D CA 0.299 54.218 54.000 -0.134 0.000 0.915 933 D CB 0.629 41.342 40.800 -0.145 0.000 1.170 933 D HN -0.038 nan 8.370 nan 0.000 0.444 934 K N 1.030 121.262 120.400 -0.280 0.000 2.518 934 K HA -0.036 4.296 4.320 0.020 0.000 0.276 934 K C 1.429 177.790 176.600 -0.397 0.000 0.974 934 K CA -0.067 55.989 56.287 -0.384 0.000 0.986 934 K CB 0.381 32.465 32.500 -0.693 0.000 0.901 934 K HN 0.426 nan 8.250 nan 0.000 0.497 935 L N 2.087 123.142 121.223 -0.280 0.000 2.021 935 L HA -0.282 4.070 4.340 0.020 0.000 0.215 935 L C 2.228 178.970 176.870 -0.213 0.000 1.074 935 L CA 1.856 56.565 54.840 -0.219 0.000 0.760 935 L CB -0.355 41.636 42.059 -0.113 0.000 0.889 935 L HN 0.742 nan 8.230 nan 0.000 0.433 936 Y N -1.943 118.284 120.300 -0.122 0.000 2.574 936 Y HA -0.042 4.521 4.550 0.021 0.000 0.294 936 Y C 1.768 177.571 175.900 -0.163 0.000 1.142 936 Y CA 0.401 58.407 58.100 -0.156 0.000 1.314 936 Y CB -1.034 37.337 38.460 -0.148 0.000 0.991 936 Y HN 0.156 nan 8.280 nan 0.000 0.555 937 N N 0.891 119.390 118.700 -0.335 0.000 2.280 937 N HA 0.084 4.836 4.740 0.020 0.000 0.192 937 N C 0.437 175.855 175.510 -0.152 0.000 1.109 937 N CA 0.238 53.172 53.050 -0.194 0.000 0.855 937 N CB 0.043 38.379 38.487 -0.251 0.000 0.974 937 N HN 0.520 nan 8.380 nan 0.000 0.482 938 R N -0.071 120.331 120.500 -0.164 0.000 2.613 938 R HA 0.361 4.713 4.340 0.020 0.000 0.361 938 R C -0.247 175.996 176.300 -0.096 0.000 1.072 938 R CA -0.202 55.823 56.100 -0.125 0.000 1.089 938 R CB 0.962 31.174 30.300 -0.147 0.000 1.343 938 R HN -0.052 nan 8.270 nan 0.000 0.571 939 A N 1.285 124.034 122.820 -0.119 0.000 2.290 939 A HA 0.454 4.786 4.320 0.020 0.000 0.310 939 A C -0.510 177.062 177.584 -0.019 0.000 1.202 939 A CA -0.211 51.773 52.037 -0.089 0.000 0.837 939 A CB 1.011 19.749 19.000 -0.437 0.000 1.139 939 A HN 0.072 nan 8.150 nan 0.000 0.509 940 E N 1.040 121.303 120.200 0.104 0.000 2.367 940 E HA 0.375 4.737 4.350 0.020 0.000 0.273 940 E C -1.338 175.360 176.600 0.164 0.000 0.903 940 E CA -0.717 55.741 56.400 0.097 0.000 0.764 940 E CB 1.605 31.390 29.700 0.141 0.000 1.252 940 E HN 0.627 nan 8.360 nan 0.000 0.446 941 D N 3.707 124.180 120.400 0.123 0.000 2.472 941 D HA 0.045 4.698 4.640 0.020 0.000 0.248 941 D C -1.726 174.688 176.300 0.189 0.000 1.174 941 D CA -1.452 52.638 54.000 0.149 0.000 0.883 941 D CB 1.174 42.042 40.800 0.113 0.000 1.149 941 D HN 0.154 nan 8.370 nan 0.000 0.488 942 P HA -0.153 nan 4.420 nan 0.000 0.216 942 P C 1.623 178.986 177.300 0.104 0.000 1.150 942 P CA 0.578 63.745 63.100 0.111 0.000 0.837 942 P CB 0.237 31.981 31.700 0.073 0.000 0.786 943 L N -2.230 119.061 121.223 0.113 0.000 2.056 943 L HA -0.131 4.221 4.340 0.020 0.000 0.207 943 L C 2.326 179.269 176.870 0.122 0.000 1.078 943 L CA 1.758 56.656 54.840 0.097 0.000 0.749 943 L CB -1.538 40.577 42.059 0.094 0.000 0.901 943 L HN -0.003 nan 8.230 nan 0.000 0.433 944 F N 0.473 120.439 119.950 0.028 0.000 2.102 944 F HA -0.205 4.336 4.527 0.023 0.000 0.298 944 F C 2.411 178.224 175.800 0.021 0.000 1.105 944 F CA 1.310 59.324 58.000 0.024 0.000 1.239 944 F CB -0.205 38.811 39.000 0.027 0.000 0.991 944 F HN -0.212 nan 8.300 nan 0.000 0.474 945 V N 0.874 120.886 119.914 0.165 0.000 2.282 945 V HA -0.349 3.783 4.120 0.020 0.000 0.249 945 V C 2.482 178.558 176.094 -0.030 0.000 1.057 945 V CA 2.194 64.531 62.300 0.061 0.000 1.032 945 V CB -0.789 31.096 31.823 0.103 0.000 0.645 945 V HN 0.386 nan 8.190 nan 0.000 0.447 946 L N -0.372 120.843 121.223 -0.013 0.000 2.027 946 L HA -0.194 4.158 4.340 0.020 0.000 0.206 946 L C 2.635 179.463 176.870 -0.071 0.000 1.074 946 L CA 2.022 56.843 54.840 -0.031 0.000 0.745 946 L CB -0.661 41.392 42.059 -0.010 0.000 0.898 946 L HN 0.436 nan 8.230 nan 0.000 0.433 947 E N 0.495 120.635 120.200 -0.099 0.000 2.118 947 E HA -0.231 4.131 4.350 0.020 0.000 0.195 947 E C 1.160 177.652 176.600 -0.181 0.000 0.992 947 E CA 1.342 57.663 56.400 -0.133 0.000 0.804 947 E CB 0.147 29.755 29.700 -0.154 0.000 0.741 947 E HN 0.495 nan 8.360 nan 0.000 0.458 948 N N 0.592 119.133 118.700 -0.265 0.000 2.214 948 N HA 0.030 4.782 4.740 0.020 0.000 0.214 948 N C -0.625 174.794 175.510 -0.152 0.000 1.132 948 N CA 0.059 52.953 53.050 -0.260 0.000 0.856 948 N CB 0.629 38.841 38.487 -0.458 0.000 1.020 948 N HN 0.148 nan 8.380 nan 0.000 0.509 949 N N 0.987 119.621 118.700 -0.109 0.000 2.740 949 N HA -0.180 4.572 4.740 0.020 0.000 0.248 949 N C -0.494 174.989 175.510 -0.046 0.000 1.062 949 N CA 0.621 53.634 53.050 -0.063 0.000 0.704 949 N CB -1.581 36.875 38.487 -0.053 0.000 0.968 949 N HN 0.433 nan 8.380 nan 0.000 0.547 950 I N 0.683 121.228 120.570 -0.042 0.000 2.441 950 I HA 0.017 4.199 4.170 0.020 0.000 0.287 950 I C 1.143 177.269 176.117 0.015 0.000 1.049 950 I CA -0.388 60.909 61.300 -0.005 0.000 1.381 950 I CB 0.920 38.936 38.000 0.026 0.000 1.409 950 I HN 0.043 nan 8.210 nan 0.000 0.523 951 Q N 5.828 125.639 119.800 0.020 0.000 2.296 951 Q HA 0.243 4.595 4.340 0.020 0.000 0.262 951 Q C -0.985 175.044 176.000 0.050 0.000 0.981 951 Q CA -0.193 55.626 55.803 0.026 0.000 0.905 951 Q CB 1.105 29.855 28.738 0.019 0.000 1.186 951 Q HN 0.470 nan 8.270 nan 0.000 0.399 952 V N 3.734 123.683 119.914 0.058 0.000 2.775 952 V HA 0.034 4.166 4.120 0.020 0.000 0.299 952 V C 0.347 176.527 176.094 0.142 0.000 1.062 952 V CA -0.249 62.115 62.300 0.107 0.000 1.063 952 V CB 1.290 33.157 31.823 0.074 0.000 0.994 952 V HN 0.850 nan 8.190 nan 0.000 0.483 953 D N 2.451 122.979 120.400 0.214 0.000 2.545 953 D HA 0.092 4.744 4.640 0.020 0.000 0.227 953 D C 1.305 177.815 176.300 0.351 0.000 1.150 953 D CA 0.317 54.447 54.000 0.216 0.000 1.046 953 D CB 0.525 41.412 40.800 0.144 0.000 1.098 953 D HN 0.558 nan 8.370 nan 0.000 0.502 954 S N 2.701 118.540 115.700 0.233 0.000 2.365 954 S HA -0.176 4.306 4.470 0.020 0.000 0.225 954 S C 1.911 176.640 174.600 0.215 0.000 1.039 954 S CA 0.763 59.091 58.200 0.213 0.000 1.033 954 S CB 0.154 63.405 63.200 0.085 0.000 0.887 954 S HN 0.528 nan 8.310 nan 0.000 0.447 955 R N -0.034 120.558 120.500 0.154 0.000 2.096 955 R HA -0.068 4.285 4.340 0.020 0.000 0.235 955 R C 2.077 178.447 176.300 0.116 0.000 1.127 955 R CA 1.169 57.337 56.100 0.112 0.000 0.968 955 R CB -0.829 29.518 30.300 0.078 0.000 0.861 955 R HN 0.592 nan 8.270 nan 0.000 0.440 956 Y N 0.528 120.856 120.300 0.046 0.000 2.128 956 Y HA -0.297 4.265 4.550 0.021 0.000 0.284 956 Y C 1.883 177.728 175.900 -0.091 0.000 1.154 956 Y CA 1.561 59.633 58.100 -0.046 0.000 1.149 956 Y CB -0.563 37.832 38.460 -0.109 0.000 0.976 956 Y HN -0.026 nan 8.280 nan 0.000 0.505 957 Y N -0.775 119.546 120.300 0.036 0.000 2.274 957 Y HA -0.224 4.338 4.550 0.020 0.000 0.290 957 Y C 2.294 178.135 175.900 -0.098 0.000 1.145 957 Y CA 1.405 59.474 58.100 -0.052 0.000 1.203 957 Y CB -0.590 37.909 38.460 0.064 0.000 0.984 957 Y HN 0.298 nan 8.280 nan 0.000 0.533 958 L N -0.138 121.142 121.223 0.095 0.000 1.988 958 L HA -0.169 4.184 4.340 0.020 0.000 0.207 958 L C 2.451 179.311 176.870 -0.017 0.000 1.071 958 L CA 2.677 57.567 54.840 0.084 0.000 0.744 958 L CB -1.248 40.878 42.059 0.112 0.000 0.893 958 L HN 0.351 nan 8.230 nan 0.000 0.433 959 T N -4.019 110.480 114.554 -0.093 0.000 3.009 959 T HA 0.031 4.393 4.350 0.020 0.000 0.258 959 T C 1.403 175.950 174.700 -0.255 0.000 1.063 959 T CA 1.158 63.174 62.100 -0.140 0.000 1.139 959 T CB -0.379 68.438 68.868 -0.084 0.000 0.890 959 T HN 0.330 nan 8.240 nan 0.000 0.471 960 N N 0.172 118.609 118.700 -0.437 0.000 2.205 960 N HA 0.242 4.994 4.740 0.020 0.000 0.201 960 N C 1.660 176.858 175.510 -0.521 0.000 1.128 960 N CA -0.048 52.676 53.050 -0.544 0.000 0.867 960 N CB 0.508 38.471 38.487 -0.874 0.000 0.996 960 N HN 0.288 nan 8.380 nan 0.000 0.503 961 Q N -0.493 119.049 119.800 -0.429 0.000 2.631 961 Q HA 0.232 4.585 4.340 0.020 0.000 0.220 961 Q C 1.464 177.391 176.000 -0.122 0.000 0.819 961 Q CA 0.182 55.845 55.803 -0.233 0.000 0.914 961 Q CB -0.232 28.414 28.738 -0.154 0.000 1.248 961 Q HN 0.195 nan 8.270 nan 0.000 0.629 962 L N 1.803 122.981 121.223 -0.075 0.000 2.095 962 L HA -0.066 4.286 4.340 0.020 0.000 0.204 962 L C 2.540 179.327 176.870 -0.139 0.000 1.080 962 L CA 1.937 56.766 54.840 -0.018 0.000 0.759 962 L CB -0.463 41.657 42.059 0.102 0.000 0.914 962 L HN 0.253 nan 8.230 nan 0.000 0.439 963 Q N -0.629 118.981 119.800 -0.316 0.000 2.020 963 Q HA -0.241 4.111 4.340 0.020 0.000 0.202 963 Q C 1.870 177.476 176.000 -0.655 0.000 0.982 963 Q CA 2.151 57.423 55.803 -0.884 0.000 0.838 963 Q CB -0.111 28.143 28.738 -0.806 0.000 0.899 963 Q HN 0.518 nan 8.270 nan 0.000 0.423 964 N N 0.352 118.830 118.700 -0.370 0.000 2.084 964 N HA -0.078 4.674 4.740 0.020 0.000 0.190 964 N C -1.099 174.307 175.510 -0.174 0.000 1.030 964 N CA 1.569 54.470 53.050 -0.248 0.000 0.849 964 N CB -1.402 36.982 38.487 -0.171 0.000 1.012 964 N HN 0.346 nan 8.380 nan 0.000 0.423 965 P HA -0.028 nan 4.420 nan 0.000 0.217 965 P C 1.385 178.653 177.300 -0.053 0.000 1.150 965 P CA 0.722 63.776 63.100 -0.076 0.000 0.832 965 P CB 0.133 31.802 31.700 -0.051 0.000 0.787 966 I N -0.837 119.701 120.570 -0.053 0.000 2.202 966 I HA -0.166 4.016 4.170 0.020 0.000 0.242 966 I C 2.404 178.536 176.117 0.024 0.000 1.091 966 I CA 1.179 62.500 61.300 0.035 0.000 1.368 966 I CB -1.337 36.774 38.000 0.186 0.000 1.058 966 I HN -0.060 nan 8.210 nan 0.000 0.410 967 I N 1.022 121.550 120.570 -0.069 0.000 2.208 967 I HA -0.341 3.841 4.170 0.020 0.000 0.245 967 I C 2.726 178.824 176.117 -0.031 0.000 1.097 967 I CA 1.860 63.136 61.300 -0.041 0.000 1.363 967 I CB -0.394 37.526 38.000 -0.134 0.000 1.051 967 I HN 0.291 nan 8.210 nan 0.000 0.413 968 S N 1.472 117.141 115.700 -0.052 0.000 2.419 968 S HA -0.159 4.323 4.470 0.020 0.000 0.233 968 S C 1.937 176.523 174.600 -0.023 0.000 1.016 968 S CA 1.255 59.431 58.200 -0.039 0.000 0.974 968 S CB -0.740 62.432 63.200 -0.047 0.000 0.786 968 S HN 0.662 nan 8.310 nan 0.000 0.492 969 I N -0.049 120.515 120.570 -0.011 0.000 2.867 969 I HA 0.153 4.335 4.170 0.020 0.000 0.265 969 I C 2.202 178.316 176.117 -0.005 0.000 1.162 969 I CA 0.804 62.104 61.300 0.000 0.000 1.471 969 I CB -0.361 37.646 38.000 0.011 0.000 1.123 969 I HN 0.310 nan 8.210 nan 0.000 0.440 970 V N -0.752 119.163 119.914 0.001 0.000 2.992 970 V HA 0.350 4.483 4.120 0.020 0.000 0.250 970 V C 2.805 178.883 176.094 -0.027 0.000 1.090 970 V CA 0.846 63.137 62.300 -0.016 0.000 1.101 970 V CB -0.574 31.259 31.823 0.017 0.000 0.743 970 V HN 0.287 nan 8.190 nan 0.000 0.468 971 A N 1.481 124.295 122.820 -0.011 0.000 1.917 971 A HA -0.053 4.279 4.320 0.020 0.000 0.219 971 A C 0.615 178.182 177.584 -0.030 0.000 1.182 971 A CA 2.301 54.329 52.037 -0.015 0.000 0.633 971 A CB -2.015 16.978 19.000 -0.011 0.000 0.819 971 A HN 0.611 nan 8.150 nan 0.000 0.448 972 P HA -0.052 nan 4.420 nan 0.000 0.228 972 P C 0.835 178.098 177.300 -0.062 0.000 1.151 972 P CA 0.891 63.974 63.100 -0.029 0.000 0.770 972 P CB 0.008 31.710 31.700 0.003 0.000 0.786 973 I N -1.645 118.859 120.570 -0.110 0.000 3.136 973 I HA 0.043 4.225 4.170 0.020 0.000 0.262 973 I C 1.993 178.049 176.117 -0.101 0.000 1.132 973 I CA 0.447 61.644 61.300 -0.171 0.000 1.450 973 I CB -0.204 37.621 38.000 -0.291 0.000 1.315 973 I HN -0.197 nan 8.210 nan 0.000 0.460 974 I N -1.055 119.472 120.570 -0.072 0.000 3.860 974 I HA 0.518 4.700 4.170 0.020 0.000 0.319 974 I C 0.830 176.932 176.117 -0.026 0.000 1.279 974 I CA 0.068 61.342 61.300 -0.044 0.000 1.220 974 I CB -0.193 37.788 38.000 -0.031 0.000 1.027 974 I HN 0.208 nan 8.210 nan 0.000 0.428 975 G N 1.873 110.658 108.800 -0.025 0.000 2.690 975 G HA2 -0.206 3.766 3.960 0.020 0.000 0.686 975 G HA3 -0.206 3.766 3.960 0.020 0.000 0.686 975 G C -0.330 174.567 174.900 -0.004 0.000 1.277 975 G CA -0.059 45.033 45.100 -0.014 0.000 0.799 975 G HN 0.221 nan 8.290 nan 0.000 0.613 976 D N 0.124 120.522 120.400 -0.003 0.000 2.149 976 D HA -0.091 4.561 4.640 0.020 0.000 0.198 976 D C 2.214 178.521 176.300 0.012 0.000 0.990 976 D CA 1.607 55.608 54.000 0.002 0.000 0.839 976 D CB 0.014 40.813 40.800 -0.002 0.000 0.948 976 D HN 0.619 nan 8.370 nan 0.000 0.460 977 K N 0.435 120.841 120.400 0.009 0.000 2.001 977 K HA -0.132 4.200 4.320 0.020 0.000 0.208 977 K C 2.151 178.763 176.600 0.020 0.000 1.048 977 K CA 1.060 57.355 56.287 0.013 0.000 0.932 977 K CB 0.048 32.552 32.500 0.007 0.000 0.715 977 K HN 0.021 nan 8.250 nan 0.000 0.437 978 Q N -0.265 119.544 119.800 0.015 0.000 2.050 978 Q HA -0.161 4.192 4.340 0.020 0.000 0.202 978 Q C 2.095 178.118 176.000 0.039 0.000 0.980 978 Q CA 1.505 57.318 55.803 0.016 0.000 0.840 978 Q CB -0.158 28.582 28.738 0.003 0.000 0.898 978 Q HN 0.461 nan 8.270 nan 0.000 0.424 979 A N 1.564 124.414 122.820 0.050 0.000 1.873 979 A HA -0.251 4.081 4.320 0.020 0.000 0.218 979 A C 1.778 179.469 177.584 0.178 0.000 1.193 979 A CA 1.819 53.917 52.037 0.102 0.000 0.629 979 A CB -0.732 18.309 19.000 0.069 0.000 0.826 979 A HN 0.401 nan 8.150 nan 0.000 0.447 980 N N -0.272 118.496 118.700 0.114 0.000 2.142 980 N HA -0.126 4.627 4.740 0.020 0.000 0.186 980 N C 1.907 177.499 175.510 0.138 0.000 1.023 980 N CA 1.369 54.494 53.050 0.125 0.000 0.852 980 N CB -0.554 37.965 38.487 0.054 0.000 0.998 980 N HN 0.511 nan 8.380 nan 0.000 0.424 981 G N 1.561 110.409 108.800 0.079 0.000 2.442 981 G HA2 -0.260 3.712 3.960 0.020 0.000 0.219 981 G HA3 -0.260 3.712 3.960 0.020 0.000 0.219 981 G C 1.532 176.447 174.900 0.026 0.000 1.141 981 G CA 0.554 45.681 45.100 0.046 0.000 0.763 981 G HN 0.262 nan 8.290 nan 0.000 0.554 982 M N -0.633 118.975 119.600 0.014 0.000 2.267 982 M HA 0.068 4.560 4.480 0.020 0.000 0.263 982 M C 1.203 177.321 176.300 -0.302 0.000 1.063 982 M CA 1.247 56.462 55.300 -0.142 0.000 1.090 982 M CB -0.056 32.435 32.600 -0.183 0.000 1.392 982 M HN 0.208 nan 8.290 nan 0.000 0.422 983 F N -0.667 119.270 119.950 -0.021 0.000 2.693 983 F HA 0.188 4.727 4.527 0.020 0.000 0.303 983 F C 0.085 175.874 175.800 -0.018 0.000 1.097 983 F CA -0.264 57.722 58.000 -0.022 0.000 1.330 983 F CB 0.278 39.262 39.000 -0.027 0.000 1.067 983 F HN -0.244 nan 8.300 nan 0.000 0.565 984 V N 2.994 122.956 119.914 0.081 0.000 2.304 984 V HA 0.231 4.363 4.120 0.020 0.000 0.262 984 V C 0.387 176.487 176.094 0.009 0.000 1.061 984 V CA -0.912 61.416 62.300 0.047 0.000 0.872 984 V CB 0.161 32.005 31.823 0.034 0.000 1.077 984 V HN 0.055 nan 8.190 nan 0.000 0.480 985 V N 0.000 119.919 119.914 0.008 0.000 2.409 985 V HA 0.000 4.132 4.120 0.020 0.000 0.244 985 V CA 0.000 62.316 62.300 0.026 0.000 1.235 985 V CB 0.000 31.835 31.823 0.021 0.000 1.184 985 V HN 0.000 nan 8.190 nan 0.000 0.556