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 1t9u_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQAKLQLAMP LLPQEVQQQG VSVEKSSSSF LMVVGVINTD GTMTQEDISD DATA SEQUENCE YVAANMKDAI SRTSGVGDVQ LFGSQYAMRI WMNPNELNKF QLTPVDVITA DATA SEQUENCE IKAQNAQVAA GQLGGTPPVK GQQLNASIIA QTRLTSTEEF GKILLKVNQD DATA SEQUENCE GSRVLLRDVA KIELGGENYD IIAEFNGQPA SGLGIKLATG ANALDTAAAI DATA SEQUENCE RAELAKMEPF FPSGLKIVYP YDTTPFVKIS IHEVVKTLVE AIILVFLVMY DATA SEQUENCE LFLQNFRATL IPTIAVPVVL LGTFAVLAAF GFSINTLTMF GMVLAIGLLV DATA SEQUENCE DDAIVVVENV ERVMAEEGLP PKEATRKSMG QIQGALVGIA MVLSAVFVPM DATA SEQUENCE AFFGGSTGAI YRQXSITIVS AMALSVLVAL ILTPALCATM LKXXXXXXXX DATA SEQUENCE XXXXXXFGWF NRMFEKSTHH YTDSVGGILR STGRYLVLYL IIVVGMAYLF DATA SEQUENCE VRLPSSFLPD EDQGVFMTMV QLPAGATQER TQKVLNEVTH YYLTKEKNNV DATA SEQUENCE ESVFAVNGFG FAGRGQNTGI AFVSLKDWAD RPGEENKVEA ITMRATRAFS DATA SEQUENCE QIKDAMVFAF NLPAIVELGT ATGFDFELID QAGLGHEKLT QARNQLLAEA DATA SEQUENCE AKHPXMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWTGXSYQE RLSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAKNAILIV EFAKDLMDKE DATA SEQUENCE GKGLIEATLD AVRMRLRPIL MTSLAFILGV MPLVISTGAG SGAQNAVGTG DATA SEQUENCE VMGGMVTATV LAIFFVPVFF VVVRRRFSRK 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.276 176.300 -0.041 0.000 2.045 7 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 7 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 8 R N 1.016 121.469 120.500 -0.079 0.000 2.428 8 R HA 0.514 4.854 4.340 -0.000 0.000 0.294 8 R C -1.668 174.579 176.300 -0.089 0.000 1.000 8 R CA -1.290 54.718 56.100 -0.154 0.000 0.960 8 R CB 1.114 31.202 30.300 -0.354 0.000 1.076 8 R HN 0.224 nan 8.270 nan 0.000 0.475 9 P HA -0.124 nan 4.420 nan 0.000 0.203 9 P C 1.337 178.664 177.300 0.045 0.000 1.211 9 P CA 0.742 63.818 63.100 -0.039 0.000 0.913 9 P CB -0.170 31.428 31.700 -0.169 0.000 0.745 10 I N -0.799 119.765 120.570 -0.009 0.000 2.419 10 I HA -0.346 3.823 4.170 -0.000 0.000 0.229 10 I C 2.517 178.857 176.117 0.372 0.000 0.948 10 I CA 1.510 62.909 61.300 0.164 0.000 1.247 10 I CB -2.685 35.418 38.000 0.171 0.000 0.956 10 I HN -0.027 nan 8.210 nan 0.000 0.388 11 F N 1.312 121.313 119.950 0.084 0.000 2.154 11 F HA -0.225 4.302 4.527 -0.000 0.000 0.301 11 F C 2.751 178.613 175.800 0.103 0.000 1.087 11 F CA 1.104 59.152 58.000 0.079 0.000 1.274 11 F CB -0.498 38.535 39.000 0.053 0.000 1.009 11 F HN 0.335 nan 8.300 nan 0.000 0.485 12 A N -0.444 122.571 122.820 0.326 0.000 1.872 12 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 12 A C 1.766 179.502 177.584 0.254 0.000 1.187 12 A CA 1.108 53.291 52.037 0.242 0.000 0.614 12 A CB -1.277 17.854 19.000 0.218 0.000 0.826 12 A HN 0.485 nan 8.150 nan 0.000 0.442 13 W N 0.081 121.430 121.300 0.081 0.000 2.350 13 W HA -0.114 4.545 4.660 -0.000 0.000 0.289 13 W C 2.264 178.819 176.519 0.060 0.000 1.215 13 W CA 1.591 58.974 57.345 0.063 0.000 1.236 13 W CB -0.471 29.024 29.460 0.059 0.000 1.130 13 W HN 0.149 nan 8.180 nan 0.000 0.541 14 V N 0.025 120.104 119.914 0.277 0.000 2.427 14 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 14 V C 2.110 178.256 176.094 0.087 0.000 1.051 14 V CA 1.432 63.829 62.300 0.162 0.000 1.048 14 V CB -0.737 31.165 31.823 0.133 0.000 0.666 14 V HN 0.098 nan 8.190 nan 0.000 0.456 15 I N 0.422 121.042 120.570 0.083 0.000 2.286 15 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 15 I C 2.574 178.693 176.117 0.003 0.000 1.115 15 I CA 1.652 62.975 61.300 0.039 0.000 1.392 15 I CB -0.507 37.522 38.000 0.048 0.000 1.065 15 I HN 0.341 nan 8.210 nan 0.000 0.418 16 A N 0.457 123.260 122.820 -0.028 0.000 2.014 16 A HA -0.093 4.226 4.320 -0.000 0.000 0.218 16 A C 2.161 179.693 177.584 -0.087 0.000 1.163 16 A CA 1.060 53.036 52.037 -0.101 0.000 0.652 16 A CB -0.517 18.337 19.000 -0.243 0.000 0.808 16 A HN 0.400 nan 8.150 nan 0.000 0.449 17 I N -0.511 120.033 120.570 -0.044 0.000 3.059 17 I HA -0.100 4.070 4.170 -0.000 0.000 0.270 17 I C 1.896 178.013 176.117 -0.001 0.000 1.238 17 I CA 0.412 61.702 61.300 -0.017 0.000 1.478 17 I CB -0.066 37.953 38.000 0.033 0.000 1.097 17 I HN 0.290 nan 8.210 nan 0.000 0.455 18 I N 0.658 121.229 120.570 0.002 0.000 2.226 18 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 18 I C 2.279 178.396 176.117 0.001 0.000 1.100 18 I CA 1.691 62.992 61.300 0.003 0.000 1.374 18 I CB -0.174 37.827 38.000 0.002 0.000 1.057 18 I HN 0.138 nan 8.210 nan 0.000 0.413 19 I N -0.246 120.319 120.570 -0.007 0.000 2.546 19 I HA -0.236 3.934 4.170 -0.000 0.000 0.255 19 I C 2.436 178.558 176.117 0.007 0.000 1.163 19 I CA 0.717 62.017 61.300 -0.000 0.000 1.457 19 I CB -0.233 37.757 38.000 -0.016 0.000 1.092 19 I HN 0.219 nan 8.210 nan 0.000 0.434 20 M N 0.241 119.835 119.600 -0.010 0.000 2.149 20 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 20 M C 2.005 178.313 176.300 0.013 0.000 1.064 20 M CA 1.777 57.075 55.300 -0.003 0.000 1.102 20 M CB -0.753 31.835 32.600 -0.019 0.000 1.369 20 M HN 0.218 nan 8.290 nan 0.000 0.408 21 L N -1.002 120.228 121.223 0.011 0.000 2.350 21 L HA 0.095 4.435 4.340 -0.000 0.000 0.209 21 L C 2.471 179.352 176.870 0.019 0.000 1.215 21 L CA 0.512 55.359 54.840 0.011 0.000 2.667 21 L CB -1.346 40.718 42.059 0.007 0.000 2.466 21 L HN 0.230 nan 8.230 nan 0.000 1.095 22 A N 0.596 123.424 122.820 0.014 0.000 1.573 22 A HA -0.395 3.925 4.320 -0.000 0.000 0.333 22 A C 2.086 179.695 177.584 0.043 0.000 3.943 22 A CA 3.117 55.166 52.037 0.019 0.000 0.926 22 A CB -2.218 16.791 19.000 0.015 0.000 0.750 22 A HN 0.795 nan 8.150 nan 0.000 0.547 23 G N -2.059 106.787 108.800 0.077 0.000 2.453 23 G HA2 0.075 4.035 3.960 -0.000 0.000 0.215 23 G HA3 0.075 4.035 3.960 -0.000 0.000 0.215 23 G C 1.719 176.692 174.900 0.122 0.000 1.201 23 G CA 1.453 46.651 45.100 0.163 0.000 0.784 23 G HN 1.423 nan 8.290 nan 0.000 0.545 24 G N 0.652 109.500 108.800 0.079 0.000 2.462 24 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 24 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 24 G C 1.673 176.549 174.900 -0.040 0.000 1.121 24 G CA 0.968 46.068 45.100 -0.000 0.000 0.758 24 G HN 0.415 nan 8.290 nan 0.000 0.559 25 L N 0.945 122.158 121.223 -0.017 0.000 2.093 25 L HA 0.129 4.468 4.340 -0.000 0.000 0.208 25 L C 2.659 179.506 176.870 -0.040 0.000 1.085 25 L CA 2.407 57.232 54.840 -0.025 0.000 0.755 25 L CB -1.180 40.872 42.059 -0.011 0.000 0.904 25 L HN 0.262 nan 8.230 nan 0.000 0.435 26 A N 0.053 122.853 122.820 -0.034 0.000 2.015 26 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 26 A C 2.125 179.642 177.584 -0.112 0.000 1.163 26 A CA 1.441 53.453 52.037 -0.043 0.000 0.646 26 A CB -0.582 18.423 19.000 0.009 0.000 0.806 26 A HN 0.448 nan 8.150 nan 0.000 0.448 27 I N -0.905 119.548 120.570 -0.195 0.000 2.394 27 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 27 I C 1.318 177.340 176.117 -0.158 0.000 1.136 27 I CA 0.922 62.055 61.300 -0.279 0.000 1.425 27 I CB -0.102 37.656 38.000 -0.404 0.000 1.079 27 I HN 0.175 nan 8.210 nan 0.000 0.425 28 L N -0.115 121.044 121.223 -0.107 0.000 2.645 28 L HA 0.136 4.476 4.340 -0.000 0.000 0.234 28 L C 1.207 178.045 176.870 -0.054 0.000 1.165 28 L CA 0.716 55.513 54.840 -0.071 0.000 0.944 28 L CB -0.560 41.467 42.059 -0.054 0.000 1.149 28 L HN 0.078 nan 8.230 nan 0.000 0.446 29 K N 0.270 120.636 120.400 -0.057 0.000 2.887 29 K HA 0.236 4.556 4.320 -0.000 0.000 0.165 29 K C -1.057 175.524 176.600 -0.032 0.000 1.121 29 K CA -0.036 56.228 56.287 -0.038 0.000 1.128 29 K CB 0.721 33.203 32.500 -0.031 0.000 0.763 29 K HN 0.151 nan 8.250 nan 0.000 0.422 30 L N -1.175 120.025 121.223 -0.040 0.000 2.482 30 L HA 0.712 5.052 4.340 -0.000 0.000 0.263 30 L C -2.895 173.965 176.870 -0.017 0.000 0.957 30 L CA -1.630 53.199 54.840 -0.019 0.000 0.836 30 L CB 1.834 43.889 42.059 -0.006 0.000 1.324 30 L HN -0.174 nan 8.230 nan 0.000 0.406 31 P HA 0.002 nan 4.420 nan 0.000 0.261 31 P C 0.601 177.903 177.300 0.004 0.000 1.173 31 P CA -0.178 62.928 63.100 0.010 0.000 0.760 31 P CB 0.728 32.445 31.700 0.029 0.000 0.783 32 V N 0.198 120.109 119.914 -0.005 0.000 3.514 32 V HA 0.316 4.436 4.120 -0.000 0.000 0.301 32 V C 0.910 177.004 176.094 -0.000 0.000 1.346 32 V CA -0.078 62.214 62.300 -0.013 0.000 1.156 32 V CB -1.003 30.803 31.823 -0.028 0.000 1.029 32 V HN 0.546 nan 8.190 nan 0.000 0.428 33 A N 0.522 123.352 122.820 0.017 0.000 2.289 33 A HA 0.555 4.875 4.320 -0.000 0.000 0.298 33 A C 0.739 178.337 177.584 0.023 0.000 1.208 33 A CA -0.275 51.780 52.037 0.030 0.000 0.845 33 A CB 0.378 19.407 19.000 0.048 0.000 1.125 33 A HN 0.381 nan 8.150 nan 0.000 0.517 34 Q N 0.002 119.809 119.800 0.011 0.000 1.277 34 Q HA -0.249 4.091 4.340 -0.000 0.000 0.444 34 Q C -0.504 175.468 176.000 -0.047 0.000 1.033 34 Q CA 1.487 57.273 55.803 -0.029 0.000 0.463 34 Q CB -0.602 28.210 28.738 0.123 0.000 5.098 34 Q HN 0.694 nan 8.270 nan 0.000 0.536 35 Y N 0.946 121.265 120.300 0.031 0.000 3.059 35 Y HA -0.117 4.433 4.550 -0.000 0.000 0.343 35 Y C -1.155 174.754 175.900 0.015 0.000 1.273 35 Y CA -0.198 57.905 58.100 0.005 0.000 1.572 35 Y CB -0.658 37.799 38.460 -0.004 0.000 1.228 35 Y HN 0.403 nan 8.280 nan 0.000 0.610 36 P HA 0.096 nan 4.420 nan 0.000 0.289 36 P C -0.519 176.837 177.300 0.094 0.000 1.299 36 P CA -0.597 62.564 63.100 0.101 0.000 0.766 36 P CB 0.505 32.248 31.700 0.072 0.000 1.226 37 T N 0.628 115.224 114.554 0.070 0.000 2.916 37 T HA 0.221 4.571 4.350 -0.000 0.000 0.303 37 T C 1.054 175.780 174.700 0.044 0.000 1.025 37 T CA 0.460 62.593 62.100 0.056 0.000 1.142 37 T CB -0.231 68.666 68.868 0.048 0.000 0.947 37 T HN 0.310 nan 8.240 nan 0.000 0.544 38 I N 0.485 121.079 120.570 0.040 0.000 4.676 38 I HA 0.432 4.602 4.170 -0.000 0.000 0.306 38 I C 1.034 177.174 176.117 0.039 0.000 1.178 38 I CA -0.502 60.819 61.300 0.035 0.000 1.335 38 I CB -0.887 37.135 38.000 0.037 0.000 1.541 38 I HN 0.541 nan 8.210 nan 0.000 0.469 39 A N 4.720 127.563 122.820 0.039 0.000 2.520 39 A HA 0.487 4.807 4.320 -0.000 0.000 0.245 39 A C -2.167 175.449 177.584 0.054 0.000 1.072 39 A CA -0.762 51.303 52.037 0.046 0.000 0.761 39 A CB -0.996 18.027 19.000 0.039 0.000 1.004 39 A HN 0.232 nan 8.150 nan 0.000 0.499 40 P HA 0.168 nan 4.420 nan 0.000 0.261 40 P C -2.642 174.706 177.300 0.080 0.000 1.203 40 P CA -0.750 62.391 63.100 0.070 0.000 0.767 40 P CB -0.214 31.528 31.700 0.070 0.000 0.785 41 P HA 0.286 nan 4.420 nan 0.000 0.271 41 P C -0.656 176.734 177.300 0.149 0.000 1.216 41 P CA 0.102 63.245 63.100 0.072 0.000 0.771 41 P CB 0.652 32.363 31.700 0.018 0.000 0.864 42 A N 2.630 125.535 122.820 0.141 0.000 2.498 42 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 42 A C -0.942 176.742 177.584 0.168 0.000 1.075 42 A CA -0.611 51.556 52.037 0.217 0.000 0.714 42 A CB 1.292 20.366 19.000 0.123 0.000 1.299 42 A HN 0.300 nan 8.150 nan 0.000 0.407 43 V N 0.593 120.645 119.914 0.230 0.000 2.850 43 V HA 0.773 4.893 4.120 -0.000 0.000 0.315 43 V C -0.126 176.033 176.094 0.108 0.000 1.064 43 V CA -0.455 61.938 62.300 0.155 0.000 0.979 43 V CB 2.020 33.961 31.823 0.196 0.000 1.039 43 V HN 0.989 nan 8.190 nan 0.000 0.452 44 T N 2.646 117.245 114.554 0.076 0.000 2.890 44 T HA 0.634 4.984 4.350 -0.000 0.000 0.295 44 T C -0.466 174.261 174.700 0.046 0.000 0.993 44 T CA -0.305 61.831 62.100 0.059 0.000 0.979 44 T CB 0.968 69.871 68.868 0.059 0.000 0.967 44 T HN 0.371 nan 8.240 nan 0.000 0.441 45 I N 2.628 123.220 120.570 0.038 0.000 2.662 45 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 45 I C 0.301 176.434 176.117 0.025 0.000 1.046 45 I CA -0.515 60.801 61.300 0.027 0.000 1.361 45 I CB 1.188 39.199 38.000 0.020 0.000 1.429 45 I HN 0.828 nan 8.210 nan 0.000 0.558 46 S N 3.009 118.719 115.700 0.017 0.000 2.461 46 S HA 0.679 5.149 4.470 -0.000 0.000 0.245 46 S C -0.688 173.917 174.600 0.007 0.000 1.039 46 S CA -0.891 57.319 58.200 0.016 0.000 1.077 46 S CB 0.929 64.138 63.200 0.015 0.000 1.171 46 S HN 0.828 nan 8.310 nan 0.000 0.433 47 A N 1.645 124.472 122.820 0.012 0.000 2.263 47 A HA 0.974 5.294 4.320 -0.000 0.000 0.318 47 A C 0.106 177.705 177.584 0.025 0.000 1.111 47 A CA -0.997 51.045 52.037 0.008 0.000 0.901 47 A CB 1.589 20.591 19.000 0.003 0.000 1.280 47 A HN 1.361 nan 8.150 nan 0.000 0.503 48 S N -1.081 114.639 115.700 0.034 0.000 2.652 48 S HA 0.399 4.868 4.470 -0.000 0.000 0.273 48 S C -1.861 172.821 174.600 0.137 0.000 1.172 48 S CA -0.335 57.909 58.200 0.073 0.000 1.009 48 S CB 0.472 63.698 63.200 0.043 0.000 1.094 48 S HN 0.623 nan 8.310 nan 0.000 0.471 49 Y N 6.968 127.282 120.300 0.022 0.000 2.593 49 Y HA 0.400 4.950 4.550 -0.000 0.000 0.331 49 Y C -2.260 173.670 175.900 0.049 0.000 0.986 49 Y CA -2.758 55.362 58.100 0.034 0.000 1.262 49 Y CB 1.075 39.553 38.460 0.030 0.000 1.098 49 Y HN 0.437 nan 8.280 nan 0.000 0.506 50 P HA 0.111 nan 4.420 nan 0.000 0.271 50 P C 0.638 177.988 177.300 0.082 0.000 1.233 50 P CA 1.369 64.573 63.100 0.172 0.000 0.764 50 P CB 1.276 33.116 31.700 0.234 0.000 0.825 51 G N 2.990 111.803 108.800 0.021 0.000 2.345 51 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 51 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 51 G C 0.427 175.257 174.900 -0.116 0.000 1.058 51 G CA 0.018 45.105 45.100 -0.023 0.000 0.632 51 G HN 0.833 nan 8.290 nan 0.000 0.508 52 A N 1.433 124.085 122.820 -0.279 0.000 2.587 52 A HA 0.462 4.782 4.320 -0.000 0.000 0.235 52 A C 0.688 178.186 177.584 -0.143 0.000 1.044 52 A CA 1.366 53.183 52.037 -0.365 0.000 0.754 52 A CB -0.288 18.318 19.000 -0.655 0.000 0.968 52 A HN 1.313 nan 8.150 nan 0.000 0.509 53 D N 1.197 121.533 120.400 -0.107 0.000 2.447 53 D HA 0.498 5.138 4.640 -0.000 0.000 0.265 53 D C 1.148 177.446 176.300 -0.003 0.000 1.250 53 D CA -0.013 53.967 54.000 -0.034 0.000 1.046 53 D CB 0.678 41.462 40.800 -0.026 0.000 1.095 53 D HN 0.430 nan 8.370 nan 0.000 0.555 54 A N -0.248 122.589 122.820 0.029 0.000 1.933 54 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 54 A C 1.905 179.519 177.584 0.049 0.000 1.175 54 A CA 1.124 53.190 52.037 0.048 0.000 0.628 54 A CB -0.586 18.457 19.000 0.071 0.000 0.814 54 A HN 0.500 nan 8.150 nan 0.000 0.444 55 K N -0.322 120.107 120.400 0.048 0.000 2.167 55 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 55 K C 1.840 178.466 176.600 0.042 0.000 1.052 55 K CA 1.496 57.813 56.287 0.050 0.000 0.956 55 K CB -1.396 31.136 32.500 0.053 0.000 0.735 55 K HN 0.412 nan 8.250 nan 0.000 0.451 56 T N 2.472 117.040 114.554 0.025 0.000 2.674 56 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 56 T C 2.111 176.870 174.700 0.099 0.000 1.039 56 T CA 2.151 64.270 62.100 0.032 0.000 1.150 56 T CB -0.460 68.373 68.868 -0.059 0.000 0.864 56 T HN 0.196 nan 8.240 nan 0.000 0.427 57 V N 0.557 120.530 119.914 0.098 0.000 2.626 57 V HA -0.126 3.994 4.120 -0.000 0.000 0.252 57 V C 2.364 178.515 176.094 0.096 0.000 1.067 57 V CA 1.590 63.978 62.300 0.147 0.000 1.081 57 V CB -0.901 30.997 31.823 0.126 0.000 0.686 57 V HN 0.334 nan 8.190 nan 0.000 0.468 58 Q N 1.493 121.333 119.800 0.067 0.000 2.170 58 Q HA -0.234 4.106 4.340 -0.000 0.000 0.203 58 Q C 1.267 177.291 176.000 0.041 0.000 0.976 58 Q CA 2.453 58.283 55.803 0.046 0.000 0.858 58 Q CB -0.046 28.713 28.738 0.035 0.000 0.907 58 Q HN 0.968 nan 8.270 nan 0.000 0.433 59 D N -2.489 117.941 120.400 0.050 0.000 2.500 59 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 59 D C 1.007 177.335 176.300 0.046 0.000 1.159 59 D CA 0.151 54.175 54.000 0.040 0.000 0.828 59 D CB 0.346 41.167 40.800 0.035 0.000 1.039 59 D HN -0.032 nan 8.370 nan 0.000 0.512 60 T N -0.731 113.866 114.554 0.071 0.000 3.040 60 T HA 0.090 4.440 4.350 -0.000 0.000 0.252 60 T C 1.361 176.079 174.700 0.029 0.000 1.064 60 T CA 0.678 62.818 62.100 0.066 0.000 1.110 60 T CB 0.244 69.197 68.868 0.141 0.000 0.921 60 T HN -0.006 nan 8.240 nan 0.000 0.480 61 V N -0.000 119.940 119.914 0.045 0.000 3.001 61 V HA 0.113 4.233 4.120 -0.000 0.000 0.228 61 V C 2.630 178.735 176.094 0.018 0.000 1.204 61 V CA 1.002 63.313 62.300 0.018 0.000 1.247 61 V CB -0.819 31.022 31.823 0.031 0.000 1.093 61 V HN 0.278 nan 8.190 nan 0.000 0.504 62 T N 0.396 114.969 114.554 0.031 0.000 2.580 62 T HA -0.292 4.057 4.350 -0.000 0.000 0.265 62 T C 1.923 176.628 174.700 0.010 0.000 1.063 62 T CA 2.175 64.288 62.100 0.021 0.000 1.170 62 T CB -0.383 68.501 68.868 0.026 0.000 0.863 62 T HN 0.381 nan 8.240 nan 0.000 0.418 63 Q N 0.187 119.994 119.800 0.012 0.000 2.084 63 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 63 Q C 2.672 178.671 176.000 -0.001 0.000 0.978 63 Q CA 1.137 56.943 55.803 0.004 0.000 0.844 63 Q CB -0.555 28.188 28.738 0.008 0.000 0.898 63 Q HN 0.367 nan 8.270 nan 0.000 0.426 64 V N 1.152 121.066 119.914 0.001 0.000 2.287 64 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 64 V C 2.184 178.273 176.094 -0.008 0.000 1.053 64 V CA 1.692 63.989 62.300 -0.004 0.000 1.027 64 V CB -0.443 31.376 31.823 -0.006 0.000 0.646 64 V HN 0.311 nan 8.190 nan 0.000 0.447 65 I N -0.479 120.087 120.570 -0.007 0.000 2.315 65 I HA -0.189 3.980 4.170 -0.000 0.000 0.248 65 I C 2.488 178.597 176.117 -0.014 0.000 1.117 65 I CA 1.390 62.684 61.300 -0.010 0.000 1.404 65 I CB -0.349 37.647 38.000 -0.007 0.000 1.071 65 I HN 0.367 nan 8.210 nan 0.000 0.419 66 E N 0.678 120.868 120.200 -0.016 0.000 2.152 66 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 66 E C 1.413 177.997 176.600 -0.027 0.000 0.983 66 E CA 0.870 57.255 56.400 -0.026 0.000 0.818 66 E CB -0.096 29.587 29.700 -0.027 0.000 0.758 66 E HN 0.663 nan 8.360 nan 0.000 0.467 67 Q N 0.402 120.190 119.800 -0.019 0.000 2.225 67 Q HA 0.165 4.505 4.340 -0.000 0.000 0.222 67 Q C 0.156 176.147 176.000 -0.015 0.000 0.887 67 Q CA 0.129 55.922 55.803 -0.017 0.000 0.958 67 Q CB 0.006 28.736 28.738 -0.012 0.000 1.058 67 Q HN -0.046 nan 8.270 nan 0.000 0.459 68 N N -0.085 118.606 118.700 -0.016 0.000 2.453 68 N HA 0.173 4.913 4.740 -0.000 0.000 0.267 68 N C -0.778 174.724 175.510 -0.013 0.000 1.482 68 N CA 0.067 53.110 53.050 -0.013 0.000 0.841 68 N CB 0.797 39.278 38.487 -0.010 0.000 1.408 68 N HN 0.088 nan 8.380 nan 0.000 0.490 69 M N 1.206 120.795 119.600 -0.020 0.000 2.963 69 M HA 0.299 4.778 4.480 -0.000 0.000 0.350 69 M C -0.700 175.583 176.300 -0.028 0.000 1.253 69 M CA -0.171 55.115 55.300 -0.023 0.000 0.856 69 M CB -0.820 31.759 32.600 -0.036 0.000 1.356 69 M HN 0.238 nan 8.290 nan 0.000 0.510 70 N N -1.562 117.128 118.700 -0.018 0.000 2.545 70 N HA 0.590 5.329 4.740 -0.000 0.000 0.289 70 N C 0.574 176.081 175.510 -0.005 0.000 1.279 70 N CA 0.272 53.312 53.050 -0.018 0.000 0.824 70 N CB 1.005 39.481 38.487 -0.018 0.000 1.395 70 N HN 0.246 nan 8.380 nan 0.000 0.526 71 G N -0.416 108.382 108.800 -0.003 0.000 2.246 71 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.273 71 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.273 71 G C -0.513 174.398 174.900 0.017 0.000 1.055 71 G CA 0.254 45.357 45.100 0.005 0.000 0.851 71 G HN 0.577 nan 8.290 nan 0.000 0.500 72 I N 0.066 120.650 120.570 0.024 0.000 2.441 72 I HA 0.303 4.473 4.170 -0.000 0.000 0.295 72 I C -0.417 175.743 176.117 0.073 0.000 0.994 72 I CA -0.933 60.403 61.300 0.060 0.000 1.144 72 I CB 1.564 39.614 38.000 0.082 0.000 1.314 72 I HN -0.108 nan 8.210 nan 0.000 0.445 73 D N 6.004 126.459 120.400 0.092 0.000 2.390 73 D HA 0.190 4.830 4.640 -0.000 0.000 0.249 73 D C -0.063 176.334 176.300 0.162 0.000 1.144 73 D CA 0.528 54.580 54.000 0.087 0.000 0.880 73 D CB 0.265 41.098 40.800 0.055 0.000 1.182 73 D HN 0.425 nan 8.370 nan 0.000 0.451 74 N N 1.100 119.874 118.700 0.124 0.000 4.066 74 N HA -0.215 4.525 4.740 -0.000 0.000 0.315 74 N C -1.406 174.174 175.510 0.116 0.000 2.196 74 N CA 0.182 53.328 53.050 0.160 0.000 2.981 74 N CB -0.219 38.413 38.487 0.242 0.000 0.306 74 N HN 0.269 nan 8.380 nan 0.000 0.757 75 L N 2.620 123.813 121.223 -0.050 0.000 2.847 75 L HA 0.198 4.538 4.340 -0.000 0.000 0.261 75 L C 0.577 177.330 176.870 -0.195 0.000 0.926 75 L CA -0.259 54.420 54.840 -0.268 0.000 1.010 75 L CB 1.561 43.452 42.059 -0.282 0.000 1.538 75 L HN 0.654 nan 8.230 nan 0.000 0.465 76 M N 2.990 122.423 119.600 -0.279 0.000 2.276 76 M HA 0.198 4.678 4.480 -0.000 0.000 0.262 76 M C -0.467 175.804 176.300 -0.049 0.000 1.098 76 M CA 1.301 56.514 55.300 -0.145 0.000 1.167 76 M CB 0.125 32.622 32.600 -0.171 0.000 1.337 76 M HN 0.562 nan 8.290 nan 0.000 0.446 77 Y N -2.067 118.149 120.300 -0.139 0.000 2.725 77 Y HA 0.711 5.261 4.550 -0.000 0.000 0.333 77 Y C -1.196 174.524 175.900 -0.299 0.000 1.242 77 Y CA -2.362 55.611 58.100 -0.213 0.000 1.059 77 Y CB 1.044 39.440 38.460 -0.107 0.000 1.306 77 Y HN 0.009 nan 8.280 nan 0.000 0.454 78 M N 2.882 122.387 119.600 -0.157 0.000 2.326 78 M HA 0.737 5.217 4.480 -0.000 0.000 0.292 78 M C -1.502 174.657 176.300 -0.235 0.000 1.081 78 M CA -0.314 54.887 55.300 -0.165 0.000 0.919 78 M CB 2.005 34.488 32.600 -0.195 0.000 1.634 78 M HN 1.007 nan 8.290 nan 0.000 0.451 79 S N 2.600 118.281 115.700 -0.031 0.000 2.715 79 S HA 0.979 5.449 4.470 -0.000 0.000 0.307 79 S C -0.711 173.906 174.600 0.028 0.000 1.119 79 S CA -0.256 57.959 58.200 0.024 0.000 0.937 79 S CB 1.936 65.227 63.200 0.152 0.000 1.150 79 S HN 1.067 nan 8.310 nan 0.000 0.521 80 S N 0.597 116.325 115.700 0.046 0.000 2.552 80 S HA 0.631 5.101 4.470 -0.000 0.000 0.272 80 S C -2.155 172.471 174.600 0.044 0.000 1.150 80 S CA -0.871 57.351 58.200 0.037 0.000 0.849 80 S CB 1.211 64.420 63.200 0.016 0.000 1.113 80 S HN 0.743 nan 8.310 nan 0.000 0.458 81 N N 0.824 119.551 118.700 0.046 0.000 2.265 81 N HA 0.724 5.464 4.740 -0.000 0.000 0.300 81 N C -1.640 173.897 175.510 0.045 0.000 1.148 81 N CA -0.672 52.406 53.050 0.048 0.000 0.772 81 N CB 2.098 40.623 38.487 0.063 0.000 1.434 81 N HN 0.750 nan 8.380 nan 0.000 0.481 82 S N -0.181 115.545 115.700 0.044 0.000 2.461 82 S HA 0.313 4.783 4.470 -0.000 0.000 0.216 82 S C -1.024 173.607 174.600 0.053 0.000 1.201 82 S CA -0.988 57.240 58.200 0.047 0.000 1.171 82 S CB 0.978 64.202 63.200 0.040 0.000 1.169 82 S HN 0.324 nan 8.310 nan 0.000 0.456 83 D N 1.859 122.294 120.400 0.059 0.000 2.358 83 D HA 0.171 4.811 4.640 -0.000 0.000 0.244 83 D C 1.137 177.472 176.300 0.057 0.000 1.163 83 D CA -0.103 53.935 54.000 0.063 0.000 0.945 83 D CB 1.215 42.055 40.800 0.066 0.000 1.152 83 D HN 0.556 nan 8.370 nan 0.000 0.451 84 S N -1.045 114.691 115.700 0.060 0.000 2.561 84 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 84 S C 1.287 175.912 174.600 0.042 0.000 0.977 84 S CA 0.390 58.621 58.200 0.051 0.000 0.926 84 S CB -0.115 63.123 63.200 0.063 0.000 0.769 84 S HN 0.392 nan 8.310 nan 0.000 0.533 85 T N 1.784 116.366 114.554 0.047 0.000 3.219 85 T HA 0.442 4.791 4.350 -0.000 0.000 0.249 85 T C 1.060 175.783 174.700 0.039 0.000 1.099 85 T CA 0.269 62.395 62.100 0.043 0.000 0.988 85 T CB -0.464 68.431 68.868 0.046 0.000 0.999 85 T HN 0.850 nan 8.240 nan 0.000 0.550 86 G N 2.851 111.673 108.800 0.037 0.000 2.353 86 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.294 86 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.294 86 G C 0.014 174.961 174.900 0.078 0.000 1.077 86 G CA 0.023 45.155 45.100 0.053 0.000 1.098 86 G HN 0.769 nan 8.290 nan 0.000 0.511 87 T N -3.243 111.352 114.554 0.068 0.000 3.237 87 T HA 0.643 4.993 4.350 -0.000 0.000 0.319 87 T C -0.478 174.257 174.700 0.058 0.000 1.037 87 T CA -0.187 61.948 62.100 0.059 0.000 1.048 87 T CB 2.288 71.180 68.868 0.039 0.000 1.081 87 T HN 1.603 nan 8.240 nan 0.000 0.455 88 V N 2.357 122.304 119.914 0.055 0.000 2.769 88 V HA 0.879 4.999 4.120 -0.000 0.000 0.312 88 V C -1.439 174.680 176.094 0.041 0.000 1.061 88 V CA -0.584 61.745 62.300 0.049 0.000 0.931 88 V CB 1.883 33.736 31.823 0.049 0.000 1.010 88 V HN 1.183 nan 8.190 nan 0.000 0.433 89 Q N 4.644 124.470 119.800 0.043 0.000 2.331 89 Q HA 0.532 4.872 4.340 -0.000 0.000 0.249 89 Q C -2.291 173.735 176.000 0.043 0.000 0.913 89 Q CA -0.558 55.271 55.803 0.043 0.000 0.874 89 Q CB 1.774 30.543 28.738 0.053 0.000 1.384 89 Q HN 0.757 nan 8.270 nan 0.000 0.427 90 I N 2.427 123.017 120.570 0.034 0.000 2.460 90 I HA 0.425 4.595 4.170 -0.000 0.000 0.298 90 I C -0.169 175.968 176.117 0.033 0.000 0.989 90 I CA -0.192 61.123 61.300 0.026 0.000 1.173 90 I CB 2.286 40.290 38.000 0.007 0.000 1.338 90 I HN 0.534 nan 8.210 nan 0.000 0.456 91 T N 6.894 121.471 114.554 0.038 0.000 2.772 91 T HA 0.548 4.898 4.350 -0.000 0.000 0.288 91 T C -0.348 174.342 174.700 -0.017 0.000 0.994 91 T CA -0.363 61.763 62.100 0.043 0.000 0.951 91 T CB 0.375 69.298 68.868 0.091 0.000 0.933 91 T HN 0.152 nan 8.240 nan 0.000 0.447 92 L N 4.135 125.313 121.223 -0.074 0.000 2.288 92 L HA 0.332 4.672 4.340 -0.000 0.000 0.283 92 L C 0.808 177.427 176.870 -0.419 0.000 1.072 92 L CA -0.259 54.412 54.840 -0.281 0.000 0.862 92 L CB 0.411 42.290 42.059 -0.300 0.000 1.245 92 L HN 0.569 nan 8.230 nan 0.000 0.432 93 T N 2.796 117.036 114.554 -0.525 0.000 2.869 93 T HA 0.507 4.857 4.350 -0.000 0.000 0.295 93 T C 0.036 174.347 174.700 -0.650 0.000 0.987 93 T CA -0.007 61.797 62.100 -0.492 0.000 1.109 93 T CB 0.567 69.026 68.868 -0.682 0.000 0.932 93 T HN 0.037 nan 8.240 nan 0.000 0.518 94 F N 0.504 120.332 119.950 -0.205 0.000 2.544 94 F HA 0.474 5.000 4.527 -0.000 0.000 0.378 94 F C 1.150 176.886 175.800 -0.106 0.000 1.112 94 F CA -1.277 56.639 58.000 -0.139 0.000 1.115 94 F CB 0.561 39.513 39.000 -0.080 0.000 1.436 94 F HN 0.350 nan 8.300 nan 0.000 0.496 95 E N -0.391 119.904 120.200 0.159 0.000 2.435 95 E HA 0.040 4.390 4.350 -0.000 0.000 0.254 95 E C -0.251 176.401 176.600 0.087 0.000 1.289 95 E CA -0.236 56.215 56.400 0.086 0.000 0.983 95 E CB 0.030 29.776 29.700 0.076 0.000 1.010 95 E HN 0.348 nan 8.360 nan 0.000 0.509 96 S N -0.294 115.449 115.700 0.071 0.000 2.537 96 S HA 0.255 4.725 4.470 -0.000 0.000 0.286 96 S C 0.867 175.508 174.600 0.069 0.000 1.299 96 S CA 0.486 58.730 58.200 0.072 0.000 1.067 96 S CB -0.382 62.866 63.200 0.080 0.000 0.864 96 S HN 0.682 nan 8.310 nan 0.000 0.494 97 G N 4.796 113.630 108.800 0.057 0.000 2.424 97 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.290 97 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.290 97 G C 0.208 175.121 174.900 0.021 0.000 0.912 97 G CA 0.685 45.808 45.100 0.039 0.000 1.142 97 G HN 0.869 nan 8.290 nan 0.000 0.501 98 T N 0.133 114.693 114.554 0.011 0.000 2.901 98 T HA 0.259 4.609 4.350 -0.000 0.000 0.301 98 T C 0.543 175.177 174.700 -0.109 0.000 1.012 98 T CA 0.068 62.145 62.100 -0.039 0.000 1.135 98 T CB 1.084 69.931 68.868 -0.034 0.000 0.936 98 T HN 0.391 nan 8.240 nan 0.000 0.539 99 D N 1.698 122.032 120.400 -0.109 0.000 2.389 99 D HA 0.256 4.896 4.640 -0.000 0.000 0.263 99 D C 0.969 177.157 176.300 -0.185 0.000 1.255 99 D CA -0.004 53.930 54.000 -0.110 0.000 0.914 99 D CB 0.382 41.135 40.800 -0.079 0.000 1.116 99 D HN 0.579 nan 8.370 nan 0.000 0.502 100 A N 3.803 126.532 122.820 -0.153 0.000 2.119 100 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 100 A C 1.797 179.298 177.584 -0.140 0.000 1.153 100 A CA 0.667 52.597 52.037 -0.179 0.000 0.692 100 A CB 0.007 18.946 19.000 -0.101 0.000 0.799 100 A HN 0.633 nan 8.150 nan 0.000 0.458 101 D N -0.473 119.867 120.400 -0.101 0.000 2.178 101 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 101 D C 1.665 177.916 176.300 -0.082 0.000 0.974 101 D CA 1.548 55.505 54.000 -0.072 0.000 0.841 101 D CB 0.122 40.893 40.800 -0.049 0.000 0.953 101 D HN 0.586 nan 8.370 nan 0.000 0.478 102 I N -0.475 120.028 120.570 -0.111 0.000 3.172 102 I HA 0.140 4.309 4.170 -0.000 0.000 0.278 102 I C 1.987 178.015 176.117 -0.148 0.000 1.174 102 I CA 0.560 61.799 61.300 -0.102 0.000 1.445 102 I CB 0.037 37.989 38.000 -0.081 0.000 1.175 102 I HN -0.178 nan 8.210 nan 0.000 0.447 103 A N 0.351 123.001 122.820 -0.285 0.000 1.972 103 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 103 A C 2.381 179.806 177.584 -0.265 0.000 1.169 103 A CA 1.943 53.679 52.037 -0.502 0.000 0.635 103 A CB -0.869 17.363 19.000 -1.280 0.000 0.810 103 A HN 0.692 nan 8.150 nan 0.000 0.446 104 Q N -0.199 119.496 119.800 -0.175 0.000 2.079 104 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 104 Q C 1.920 177.911 176.000 -0.015 0.000 0.974 104 Q CA 1.903 57.676 55.803 -0.050 0.000 0.840 104 Q CB -0.163 28.548 28.738 -0.045 0.000 0.898 104 Q HN 0.407 nan 8.270 nan 0.000 0.430 105 V N 1.203 121.096 119.914 -0.033 0.000 2.307 105 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 105 V C 2.337 178.432 176.094 0.001 0.000 1.045 105 V CA 1.993 64.284 62.300 -0.015 0.000 1.024 105 V CB -0.637 31.172 31.823 -0.024 0.000 0.651 105 V HN 0.431 nan 8.190 nan 0.000 0.449 106 Q N -0.631 119.170 119.800 0.003 0.000 2.112 106 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 106 Q C 2.357 178.388 176.000 0.052 0.000 0.987 106 Q CA 1.907 57.727 55.803 0.029 0.000 0.858 106 Q CB -0.377 28.388 28.738 0.044 0.000 0.905 106 Q HN 0.515 nan 8.270 nan 0.000 0.420 107 V N 1.169 121.130 119.914 0.080 0.000 2.427 107 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 107 V C 2.119 178.240 176.094 0.045 0.000 1.051 107 V CA 2.148 64.500 62.300 0.087 0.000 1.048 107 V CB -0.359 31.550 31.823 0.142 0.000 0.666 107 V HN 0.512 nan 8.190 nan 0.000 0.456 108 Q N 0.091 119.910 119.800 0.032 0.000 2.280 108 Q HA 0.330 4.670 4.340 -0.000 0.000 0.202 108 Q C 0.549 176.555 176.000 0.010 0.000 0.903 108 Q CA 0.737 56.550 55.803 0.017 0.000 0.948 108 Q CB 0.228 28.974 28.738 0.013 0.000 1.058 108 Q HN 0.460 nan 8.270 nan 0.000 0.493 109 A N 0.393 123.220 122.820 0.012 0.000 3.214 109 A HA 0.578 4.898 4.320 -0.000 0.000 0.304 109 A C 0.031 177.620 177.584 0.008 0.000 0.969 109 A CA -0.486 51.555 52.037 0.007 0.000 0.986 109 A CB 0.357 19.361 19.000 0.005 0.000 1.073 109 A HN 0.204 nan 8.150 nan 0.000 0.487 110 K N -1.062 119.342 120.400 0.007 0.000 1.960 110 K HA 0.097 4.417 4.320 -0.000 0.000 0.118 110 K C 1.013 177.613 176.600 0.001 0.000 2.331 110 K CA 0.532 56.822 56.287 0.005 0.000 1.182 110 K CB -0.825 31.682 32.500 0.011 0.000 2.595 110 K HN 0.288 nan 8.250 nan 0.000 0.428 111 L N 1.803 123.028 121.223 0.003 0.000 2.083 111 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 111 L C 2.185 179.052 176.870 -0.006 0.000 1.083 111 L CA 1.924 56.763 54.840 -0.001 0.000 0.752 111 L CB -0.081 41.979 42.059 0.001 0.000 0.899 111 L HN 0.427 nan 8.230 nan 0.000 0.433 112 Q N 0.060 119.857 119.800 -0.004 0.000 2.181 112 Q HA -0.218 4.122 4.340 -0.000 0.000 0.205 112 Q C 2.015 178.010 176.000 -0.008 0.000 0.980 112 Q CA 1.633 57.432 55.803 -0.007 0.000 0.862 112 Q CB -0.137 28.598 28.738 -0.005 0.000 0.905 112 Q HN 0.690 nan 8.270 nan 0.000 0.429 113 L N -1.337 119.882 121.223 -0.006 0.000 2.552 113 L HA 0.144 4.484 4.340 -0.000 0.000 0.227 113 L C 1.653 178.518 176.870 -0.009 0.000 1.146 113 L CA 0.567 55.403 54.840 -0.007 0.000 0.858 113 L CB -0.064 41.992 42.059 -0.005 0.000 0.969 113 L HN 0.044 nan 8.230 nan 0.000 0.451 114 A N -1.356 121.458 122.820 -0.011 0.000 2.508 114 A HA 0.294 4.614 4.320 -0.000 0.000 0.250 114 A C 2.037 179.610 177.584 -0.019 0.000 1.208 114 A CA -0.245 51.784 52.037 -0.014 0.000 0.960 114 A CB 0.109 19.102 19.000 -0.012 0.000 1.099 114 A HN 0.110 nan 8.150 nan 0.000 0.542 115 M N 0.283 119.872 119.600 -0.020 0.000 2.132 115 M HA -0.033 4.446 4.480 -0.000 0.000 0.263 115 M C -0.869 175.413 176.300 -0.030 0.000 1.065 115 M CA 1.447 56.731 55.300 -0.027 0.000 1.122 115 M CB -1.984 30.602 32.600 -0.024 0.000 1.365 115 M HN 0.112 nan 8.290 nan 0.000 0.411 116 P HA -0.044 nan 4.420 nan 0.000 0.225 116 P C 1.104 178.390 177.300 -0.025 0.000 1.148 116 P CA 0.944 64.031 63.100 -0.023 0.000 0.779 116 P CB -0.171 31.519 31.700 -0.016 0.000 0.780 117 L N -2.189 119.019 121.223 -0.025 0.000 2.653 117 L HA 0.213 4.553 4.340 -0.000 0.000 0.231 117 L C 0.682 177.532 176.870 -0.033 0.000 1.153 117 L CA 0.016 54.842 54.840 -0.023 0.000 0.933 117 L CB -0.592 41.457 42.059 -0.016 0.000 1.175 117 L HN -0.027 nan 8.230 nan 0.000 0.473 118 L N -0.350 120.843 121.223 -0.050 0.000 2.331 118 L HA 0.550 4.890 4.340 -0.000 0.000 0.268 118 L C -2.167 174.637 176.870 -0.111 0.000 1.015 118 L CA -2.172 52.620 54.840 -0.081 0.000 0.807 118 L CB 0.459 42.463 42.059 -0.092 0.000 1.293 118 L HN -0.205 nan 8.230 nan 0.000 0.451 119 P HA -0.008 nan 4.420 nan 0.000 0.268 119 P C -0.279 176.915 177.300 -0.177 0.000 1.208 119 P CA -0.243 62.725 63.100 -0.220 0.000 0.777 119 P CB 0.357 31.752 31.700 -0.508 0.000 0.875 120 Q N 0.352 120.089 119.800 -0.105 0.000 2.436 120 Q HA -0.145 4.195 4.340 -0.000 0.000 0.209 120 Q C 0.941 176.907 176.000 -0.056 0.000 0.965 120 Q CA 1.290 57.057 55.803 -0.060 0.000 0.910 120 Q CB -0.366 28.361 28.738 -0.018 0.000 0.980 120 Q HN 0.359 nan 8.270 nan 0.000 0.491 121 E N 0.851 120.990 120.200 -0.101 0.000 2.107 121 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 121 E C 1.878 178.410 176.600 -0.113 0.000 0.982 121 E CA 0.977 57.345 56.400 -0.053 0.000 0.809 121 E CB -0.034 29.679 29.700 0.021 0.000 0.756 121 E HN 0.161 nan 8.360 nan 0.000 0.459 122 V N 0.417 120.184 119.914 -0.246 0.000 2.591 122 V HA -0.196 3.923 4.120 -0.000 0.000 0.249 122 V C 1.877 177.902 176.094 -0.115 0.000 1.053 122 V CA 1.435 63.624 62.300 -0.184 0.000 1.068 122 V CB -0.128 31.546 31.823 -0.248 0.000 0.689 122 V HN 0.250 nan 8.190 nan 0.000 0.462 123 Q N -0.103 119.635 119.800 -0.104 0.000 2.046 123 Q HA -0.251 4.089 4.340 -0.000 0.000 0.200 123 Q C 2.204 178.165 176.000 -0.066 0.000 0.975 123 Q CA 1.971 57.733 55.803 -0.070 0.000 0.836 123 Q CB -0.148 28.558 28.738 -0.053 0.000 0.896 123 Q HN 0.819 nan 8.270 nan 0.000 0.428 124 Q N -0.109 119.651 119.800 -0.066 0.000 2.451 124 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 124 Q C 0.438 176.290 176.000 -0.247 0.000 0.947 124 Q CA 0.201 55.950 55.803 -0.091 0.000 0.937 124 Q CB 0.309 29.061 28.738 0.024 0.000 1.025 124 Q HN 0.091 nan 8.270 nan 0.000 0.511 125 Q N 0.826 120.514 119.800 -0.186 0.000 2.185 125 Q HA 0.465 4.805 4.340 -0.000 0.000 0.225 125 Q C -0.470 175.460 176.000 -0.117 0.000 0.983 125 Q CA 0.002 55.696 55.803 -0.182 0.000 0.950 125 Q CB 1.221 29.906 28.738 -0.088 0.000 1.176 125 Q HN 0.352 nan 8.270 nan 0.000 0.510 126 G N 0.507 109.254 108.800 -0.088 0.000 2.439 126 G HA2 0.401 4.361 3.960 -0.000 0.000 0.298 126 G HA3 0.401 4.361 3.960 -0.000 0.000 0.298 126 G C -0.744 174.132 174.900 -0.040 0.000 1.044 126 G CA -0.317 44.747 45.100 -0.060 0.000 1.168 126 G HN 0.327 nan 8.290 nan 0.000 0.433 127 V N 1.848 121.739 119.914 -0.037 0.000 2.644 127 V HA 0.727 4.847 4.120 -0.000 0.000 0.295 127 V C 0.483 176.567 176.094 -0.017 0.000 1.053 127 V CA -0.525 61.761 62.300 -0.024 0.000 0.987 127 V CB 1.537 33.344 31.823 -0.026 0.000 1.006 127 V HN 0.638 nan 8.190 nan 0.000 0.472 128 S N 1.749 117.445 115.700 -0.007 0.000 2.537 128 S HA 0.679 5.149 4.470 -0.000 0.000 0.270 128 S C -1.118 173.487 174.600 0.008 0.000 1.142 128 S CA -0.497 57.702 58.200 -0.002 0.000 0.870 128 S CB 2.125 65.323 63.200 -0.003 0.000 1.112 128 S HN 0.505 nan 8.310 nan 0.000 0.466 129 V N 3.306 123.226 119.914 0.011 0.000 2.419 129 V HA 0.523 4.642 4.120 -0.000 0.000 0.287 129 V C -0.602 175.505 176.094 0.020 0.000 1.017 129 V CA -0.523 61.789 62.300 0.020 0.000 0.844 129 V CB 1.368 33.204 31.823 0.021 0.000 1.011 129 V HN 0.889 nan 8.190 nan 0.000 0.429 130 E N 2.849 123.066 120.200 0.028 0.000 2.392 130 E HA 0.600 4.949 4.350 -0.000 0.000 0.269 130 E C -1.303 175.318 176.600 0.034 0.000 0.924 130 E CA -1.274 55.142 56.400 0.027 0.000 0.784 130 E CB 2.667 32.383 29.700 0.027 0.000 1.292 130 E HN 0.407 nan 8.360 nan 0.000 0.447 131 K N 1.101 121.518 120.400 0.029 0.000 2.276 131 K HA 0.265 4.585 4.320 -0.000 0.000 0.285 131 K C -0.373 176.252 176.600 0.040 0.000 1.062 131 K CA -0.177 56.128 56.287 0.031 0.000 0.918 131 K CB 1.313 33.824 32.500 0.018 0.000 1.055 131 K HN 0.362 nan 8.250 nan 0.000 0.477 132 S N 1.451 117.178 115.700 0.046 0.000 2.681 132 S HA 0.545 5.015 4.470 -0.000 0.000 0.299 132 S C -0.400 174.222 174.600 0.036 0.000 1.113 132 S CA -0.545 57.682 58.200 0.046 0.000 1.013 132 S CB 1.127 64.359 63.200 0.053 0.000 1.076 132 S HN 0.385 nan 8.310 nan 0.000 0.534 133 S N 1.755 117.468 115.700 0.021 0.000 2.630 133 S HA 0.210 4.680 4.470 -0.000 0.000 0.173 133 S C -0.609 173.964 174.600 -0.044 0.000 1.048 133 S CA -0.560 57.641 58.200 0.003 0.000 1.172 133 S CB 0.271 63.482 63.200 0.019 0.000 1.638 133 S HN 0.718 nan 8.310 nan 0.000 0.429 134 S N 3.673 119.339 115.700 -0.056 0.000 3.198 134 S HA 0.072 4.542 4.470 -0.000 0.000 0.301 134 S C 0.320 174.767 174.600 -0.256 0.000 0.645 134 S CA 0.881 59.001 58.200 -0.133 0.000 2.083 134 S CB -0.967 62.156 63.200 -0.128 0.000 1.119 134 S HN 1.111 nan 8.310 nan 0.000 0.605 135 S N 0.957 116.483 115.700 -0.291 0.000 2.841 135 S HA 0.347 4.817 4.470 -0.000 0.000 0.283 135 S C -0.754 173.684 174.600 -0.271 0.000 0.839 135 S CA -1.157 56.867 58.200 -0.293 0.000 0.843 135 S CB -0.120 63.004 63.200 -0.126 0.000 1.059 135 S HN 0.223 nan 8.310 nan 0.000 0.502 136 F N 1.723 121.727 119.950 0.091 0.000 2.403 136 F HA 0.800 5.327 4.527 -0.000 0.000 0.326 136 F C 1.411 177.270 175.800 0.099 0.000 1.099 136 F CA -0.624 57.388 58.000 0.019 0.000 1.036 136 F CB 0.685 39.566 39.000 -0.198 0.000 1.336 136 F HN 0.733 nan 8.300 nan 0.000 0.497 137 L N -1.598 119.823 121.223 0.329 0.000 3.358 137 L HA 0.423 4.763 4.340 -0.000 0.000 0.169 137 L C 0.027 177.057 176.870 0.266 0.000 1.158 137 L CA -0.677 54.340 54.840 0.294 0.000 0.861 137 L CB -0.144 42.035 42.059 0.201 0.000 1.597 137 L HN 0.260 nan 8.230 nan 0.000 0.580 138 M N 2.696 122.405 119.600 0.182 0.000 2.185 138 M HA 0.356 4.836 4.480 -0.000 0.000 0.357 138 M C -1.126 175.209 176.300 0.058 0.000 1.260 138 M CA -0.126 55.258 55.300 0.139 0.000 1.124 138 M CB 1.700 34.378 32.600 0.129 0.000 1.600 138 M HN 0.120 nan 8.290 nan 0.000 0.467 139 V N 5.122 125.028 119.914 -0.013 0.000 2.380 139 V HA 0.191 4.311 4.120 -0.000 0.000 0.272 139 V C -0.201 175.745 176.094 -0.248 0.000 1.011 139 V CA -0.728 61.442 62.300 -0.216 0.000 0.826 139 V CB 1.402 32.947 31.823 -0.463 0.000 1.040 139 V HN 0.608 nan 8.190 nan 0.000 0.441 140 V N 4.318 124.121 119.914 -0.185 0.000 2.370 140 V HA 0.403 4.523 4.120 -0.000 0.000 0.257 140 V C 1.319 177.229 176.094 -0.308 0.000 1.064 140 V CA 0.041 62.189 62.300 -0.254 0.000 0.975 140 V CB 0.710 32.443 31.823 -0.149 0.000 1.067 140 V HN 0.820 nan 8.190 nan 0.000 0.485 141 G N 3.938 112.488 108.800 -0.418 0.000 2.594 141 G HA2 0.466 4.426 3.960 -0.000 0.000 0.243 141 G HA3 0.466 4.426 3.960 -0.000 0.000 0.243 141 G C -0.630 174.128 174.900 -0.237 0.000 1.229 141 G CA -0.198 44.739 45.100 -0.273 0.000 0.843 141 G HN 0.621 nan 8.290 nan 0.000 0.578 142 V N 2.195 122.047 119.914 -0.104 0.000 2.612 142 V HA 0.525 4.645 4.120 -0.000 0.000 0.301 142 V C 0.056 176.111 176.094 -0.065 0.000 1.059 142 V CA -0.538 61.703 62.300 -0.097 0.000 0.886 142 V CB 0.924 32.708 31.823 -0.065 0.000 1.007 142 V HN 0.900 nan 8.190 nan 0.000 0.426 143 I N 0.918 121.451 120.570 -0.060 0.000 3.457 143 I HA 0.761 4.931 4.170 -0.000 0.000 0.307 143 I C -0.776 175.334 176.117 -0.013 0.000 1.138 143 I CA -0.747 60.548 61.300 -0.009 0.000 0.974 143 I CB 2.372 40.411 38.000 0.064 0.000 1.324 143 I HN 0.494 nan 8.210 nan 0.000 0.485 144 N N -0.196 118.507 118.700 0.005 0.000 2.240 144 N HA 0.495 5.235 4.740 -0.000 0.000 0.302 144 N C -0.413 175.110 175.510 0.023 0.000 1.106 144 N CA 0.139 53.188 53.050 -0.002 0.000 0.778 144 N CB 2.468 40.941 38.487 -0.023 0.000 1.431 144 N HN 0.955 nan 8.380 nan 0.000 0.479 145 T N -0.656 113.912 114.554 0.023 0.000 3.311 145 T HA 0.090 4.440 4.350 -0.000 0.000 0.239 145 T C 1.085 175.797 174.700 0.020 0.000 0.976 145 T CA 0.381 62.500 62.100 0.030 0.000 1.283 145 T CB -0.252 68.641 68.868 0.041 0.000 1.113 145 T HN 0.435 nan 8.240 nan 0.000 0.392 146 D N 2.015 122.426 120.400 0.017 0.000 2.128 146 D HA 0.180 4.820 4.640 -0.000 0.000 0.213 146 D C 1.496 177.800 176.300 0.007 0.000 0.983 146 D CA 0.955 54.962 54.000 0.013 0.000 0.889 146 D CB -0.558 40.251 40.800 0.015 0.000 1.018 146 D HN 0.513 nan 8.370 nan 0.000 0.448 147 G N 0.657 109.458 108.800 0.002 0.000 2.821 147 G HA2 0.219 4.178 3.960 -0.000 0.000 0.289 147 G HA3 0.219 4.178 3.960 -0.000 0.000 0.289 147 G C -0.205 174.690 174.900 -0.008 0.000 0.771 147 G CA -0.207 44.891 45.100 -0.003 0.000 1.908 147 G HN 0.152 nan 8.290 nan 0.000 0.539 148 T N 4.060 118.613 114.554 -0.002 0.000 2.888 148 T HA 0.366 4.715 4.350 -0.000 0.000 0.301 148 T C 0.739 175.436 174.700 -0.003 0.000 1.001 148 T CA 0.329 62.428 62.100 -0.002 0.000 1.147 148 T CB 0.499 69.369 68.868 0.003 0.000 0.931 148 T HN 0.623 nan 8.240 nan 0.000 0.541 149 M N 1.295 120.890 119.600 -0.008 0.000 2.745 149 M HA 0.659 5.139 4.480 -0.000 0.000 0.290 149 M C 0.149 176.450 176.300 0.002 0.000 1.262 149 M CA -1.084 54.214 55.300 -0.002 0.000 0.795 149 M CB 1.617 34.207 32.600 -0.016 0.000 1.758 149 M HN 0.554 nan 8.290 nan 0.000 0.461 150 T N -0.731 113.833 114.554 0.016 0.000 2.814 150 T HA 0.339 4.689 4.350 -0.000 0.000 0.284 150 T C 0.111 174.814 174.700 0.005 0.000 0.998 150 T CA -0.545 61.567 62.100 0.021 0.000 0.935 150 T CB 0.607 69.504 68.868 0.049 0.000 1.167 150 T HN 0.804 nan 8.240 nan 0.000 0.545 151 Q N 0.622 120.426 119.800 0.007 0.000 3.150 151 Q HA 0.491 4.830 4.340 -0.000 0.000 0.297 151 Q C -0.272 175.723 176.000 -0.008 0.000 1.382 151 Q CA -0.427 55.370 55.803 -0.009 0.000 1.059 151 Q CB 0.391 29.120 28.738 -0.014 0.000 1.559 151 Q HN 0.813 nan 8.270 nan 0.000 0.548 152 E N 0.221 120.404 120.200 -0.029 0.000 1.555 152 E HA -0.093 4.257 4.350 -0.000 0.000 0.232 152 E C 0.553 177.044 176.600 -0.182 0.000 1.063 152 E CA 0.413 56.783 56.400 -0.050 0.000 1.393 152 E CB -0.525 29.229 29.700 0.090 0.000 4.318 152 E HN 0.352 nan 8.360 nan 0.000 0.821 153 D N 0.576 120.937 120.400 -0.065 0.000 2.117 153 D HA -0.021 4.618 4.640 -0.000 0.000 0.198 153 D C 1.887 178.097 176.300 -0.151 0.000 0.982 153 D CA 1.352 55.296 54.000 -0.095 0.000 0.828 153 D CB 0.149 40.973 40.800 0.039 0.000 0.967 153 D HN 0.306 nan 8.370 nan 0.000 0.464 154 I N 0.699 121.209 120.570 -0.101 0.000 2.353 154 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 154 I C 2.297 178.369 176.117 -0.075 0.000 1.119 154 I CA 0.503 61.759 61.300 -0.074 0.000 1.417 154 I CB -0.016 37.950 38.000 -0.057 0.000 1.078 154 I HN -0.133 nan 8.210 nan 0.000 0.421 155 S N 0.261 115.891 115.700 -0.117 0.000 2.423 155 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 155 S C 1.588 176.085 174.600 -0.171 0.000 1.014 155 S CA 1.566 59.697 58.200 -0.115 0.000 0.965 155 S CB -0.355 62.778 63.200 -0.111 0.000 0.785 155 S HN 0.540 nan 8.310 nan 0.000 0.495 156 D N 0.455 120.672 120.400 -0.304 0.000 2.137 156 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 156 D C 1.769 177.984 176.300 -0.141 0.000 0.970 156 D CA 0.721 54.520 54.000 -0.335 0.000 0.837 156 D CB -0.313 39.995 40.800 -0.821 0.000 0.981 156 D HN 0.360 nan 8.370 nan 0.000 0.475 157 Y N 0.406 120.576 120.300 -0.216 0.000 2.274 157 Y HA -0.093 4.457 4.550 -0.000 0.000 0.290 157 Y C 2.026 177.848 175.900 -0.131 0.000 1.145 157 Y CA 1.031 59.041 58.100 -0.150 0.000 1.203 157 Y CB -0.233 38.123 38.460 -0.173 0.000 0.984 157 Y HN -0.067 nan 8.280 nan 0.000 0.533 158 V N -0.122 119.718 119.914 -0.123 0.000 2.358 158 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 158 V C 2.291 178.294 176.094 -0.151 0.000 1.047 158 V CA 1.865 64.078 62.300 -0.145 0.000 1.035 158 V CB -1.211 30.575 31.823 -0.061 0.000 0.658 158 V HN 0.506 nan 8.190 nan 0.000 0.452 159 A N -1.071 121.673 122.820 -0.127 0.000 2.337 159 A HA 0.624 4.944 4.320 -0.000 0.000 0.227 159 A C 1.255 178.776 177.584 -0.104 0.000 1.259 159 A CA 0.737 52.714 52.037 -0.101 0.000 0.870 159 A CB -0.140 18.811 19.000 -0.081 0.000 0.927 159 A HN 0.586 nan 8.150 nan 0.000 0.497 160 A N -0.277 122.453 122.820 -0.151 0.000 2.992 160 A HA 0.558 4.878 4.320 -0.000 0.000 0.263 160 A C 0.149 177.613 177.584 -0.201 0.000 0.928 160 A CA 0.278 52.238 52.037 -0.128 0.000 1.061 160 A CB -0.323 18.637 19.000 -0.067 0.000 1.173 160 A HN 0.486 nan 8.150 nan 0.000 0.482 161 N N -0.921 117.646 118.700 -0.221 0.000 2.500 161 N HA -0.115 4.625 4.740 -0.000 0.000 0.306 161 N C 0.976 176.396 175.510 -0.149 0.000 0.811 161 N CA 1.105 54.013 53.050 -0.237 0.000 1.146 161 N CB -0.428 37.758 38.487 -0.501 0.000 2.366 161 N HN 0.257 nan 8.380 nan 0.000 1.226 162 M N -1.194 118.314 119.600 -0.154 0.000 2.279 162 M HA 0.427 4.907 4.480 -0.000 0.000 0.299 162 M C 1.469 177.745 176.300 -0.040 0.000 0.970 162 M CA -0.135 55.129 55.300 -0.060 0.000 1.065 162 M CB 0.555 33.145 32.600 -0.017 0.000 1.669 162 M HN 0.065 nan 8.290 nan 0.000 0.582 163 K N 1.614 121.977 120.400 -0.061 0.000 2.076 163 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 163 K C 0.856 177.441 176.600 -0.027 0.000 1.051 163 K CA 2.067 58.331 56.287 -0.039 0.000 0.949 163 K CB 0.155 32.624 32.500 -0.050 0.000 0.726 163 K HN 0.164 nan 8.250 nan 0.000 0.443 164 D N 0.525 120.904 120.400 -0.034 0.000 2.178 164 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 164 D C 1.652 177.944 176.300 -0.014 0.000 0.974 164 D CA 1.176 55.161 54.000 -0.025 0.000 0.841 164 D CB 0.019 40.800 40.800 -0.031 0.000 0.953 164 D HN 0.366 nan 8.370 nan 0.000 0.478 165 A N 0.375 123.187 122.820 -0.013 0.000 1.897 165 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 165 A C 1.943 179.533 177.584 0.011 0.000 1.181 165 A CA 0.722 52.759 52.037 -0.000 0.000 0.620 165 A CB -0.407 18.596 19.000 0.004 0.000 0.821 165 A HN 0.064 nan 8.150 nan 0.000 0.443 166 I N 1.256 121.834 120.570 0.014 0.000 2.179 166 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 166 I C 2.875 179.007 176.117 0.026 0.000 1.088 166 I CA 1.999 63.315 61.300 0.026 0.000 1.357 166 I CB -1.230 36.787 38.000 0.029 0.000 1.051 166 I HN 0.499 nan 8.210 nan 0.000 0.409 167 S N 1.341 117.052 115.700 0.017 0.000 2.423 167 S HA -0.195 4.274 4.470 -0.000 0.000 0.231 167 S C 2.016 176.627 174.600 0.018 0.000 1.014 167 S CA 0.971 59.183 58.200 0.019 0.000 0.965 167 S CB -0.541 62.665 63.200 0.010 0.000 0.785 167 S HN 0.633 nan 8.310 nan 0.000 0.495 168 R N 0.711 121.219 120.500 0.013 0.000 2.223 168 R HA 0.142 4.481 4.340 -0.000 0.000 0.198 168 R C 0.572 176.880 176.300 0.015 0.000 0.984 168 R CA 0.588 56.694 56.100 0.011 0.000 1.018 168 R CB -0.829 29.474 30.300 0.005 0.000 0.945 168 R HN 0.231 nan 8.270 nan 0.000 0.479 169 T N 2.222 116.787 114.554 0.019 0.000 2.900 169 T HA -0.016 4.333 4.350 -0.000 0.000 0.307 169 T C 0.027 174.743 174.700 0.026 0.000 1.065 169 T CA 0.975 63.088 62.100 0.023 0.000 1.105 169 T CB 0.691 69.576 68.868 0.028 0.000 0.979 169 T HN 0.597 nan 8.240 nan 0.000 0.544 170 S N 2.165 117.880 115.700 0.025 0.000 3.244 170 S HA -0.164 4.306 4.470 -0.000 0.000 0.291 170 S C 0.916 175.534 174.600 0.030 0.000 0.833 170 S CA 0.428 58.644 58.200 0.027 0.000 1.348 170 S CB -2.211 61.008 63.200 0.031 0.000 0.910 170 S HN 1.977 nan 8.310 nan 0.000 0.461 171 G N 0.451 109.266 108.800 0.025 0.000 2.306 171 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.274 171 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.274 171 G C 0.048 174.969 174.900 0.035 0.000 0.890 171 G CA -0.059 45.057 45.100 0.026 0.000 1.298 171 G HN 1.530 nan 8.290 nan 0.000 0.445 172 V N 1.220 121.157 119.914 0.037 0.000 2.546 172 V HA 0.548 4.668 4.120 -0.000 0.000 0.284 172 V C 1.861 177.981 176.094 0.044 0.000 1.050 172 V CA 0.575 62.904 62.300 0.048 0.000 0.981 172 V CB 1.215 33.068 31.823 0.050 0.000 0.990 172 V HN 0.635 nan 8.190 nan 0.000 0.474 173 G N 4.275 113.106 108.800 0.053 0.000 2.616 173 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.215 173 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.215 173 G C 0.091 175.019 174.900 0.047 0.000 1.284 173 G CA 1.042 46.171 45.100 0.048 0.000 0.823 173 G HN 0.874 nan 8.290 nan 0.000 0.569 174 D N -2.425 118.012 120.400 0.062 0.000 2.596 174 D HA 0.521 5.161 4.640 -0.000 0.000 0.234 174 D C -1.140 175.205 176.300 0.076 0.000 1.181 174 D CA -0.784 53.249 54.000 0.055 0.000 0.856 174 D CB 2.208 43.037 40.800 0.048 0.000 1.498 174 D HN 0.157 nan 8.370 nan 0.000 0.446 175 V N 0.649 120.590 119.914 0.044 0.000 2.495 175 V HA 0.479 4.599 4.120 -0.000 0.000 0.298 175 V C -0.746 175.337 176.094 -0.020 0.000 1.031 175 V CA -0.679 61.642 62.300 0.035 0.000 0.871 175 V CB 1.389 33.221 31.823 0.014 0.000 0.988 175 V HN 0.601 nan 8.190 nan 0.000 0.432 176 Q N 3.983 123.751 119.800 -0.052 0.000 2.372 176 Q HA 0.443 4.783 4.340 -0.000 0.000 0.259 176 Q C -0.811 174.973 176.000 -0.361 0.000 0.993 176 Q CA -0.137 55.525 55.803 -0.236 0.000 0.854 176 Q CB 1.328 29.889 28.738 -0.294 0.000 1.231 176 Q HN 0.741 nan 8.270 nan 0.000 0.462 177 L N 4.522 125.574 121.223 -0.285 0.000 2.453 177 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 177 L C -0.558 176.106 176.870 -0.344 0.000 1.182 177 L CA 0.312 55.026 54.840 -0.211 0.000 0.858 177 L CB 0.282 42.256 42.059 -0.142 0.000 1.120 177 L HN 0.802 nan 8.230 nan 0.000 0.474 178 F N 3.905 123.842 119.950 -0.020 0.000 2.508 178 F HA 0.417 4.944 4.527 -0.000 0.000 0.329 178 F C 0.848 176.643 175.800 -0.009 0.000 1.198 178 F CA 0.288 58.304 58.000 0.028 0.000 1.268 178 F CB 0.668 39.768 39.000 0.168 0.000 1.584 178 F HN 0.658 nan 8.300 nan 0.000 0.570 179 G N -0.264 108.553 108.800 0.028 0.000 2.534 179 G HA2 0.311 4.271 3.960 -0.000 0.000 0.142 179 G HA3 0.311 4.271 3.960 -0.000 0.000 0.142 179 G C -1.346 173.493 174.900 -0.101 0.000 1.178 179 G CA -0.518 44.565 45.100 -0.028 0.000 1.037 179 G HN 0.242 nan 8.290 nan 0.000 0.474 180 S N -0.815 114.809 115.700 -0.127 0.000 2.542 180 S HA 0.530 5.000 4.470 -0.000 0.000 0.276 180 S C -0.681 173.841 174.600 -0.130 0.000 1.148 180 S CA -0.057 58.060 58.200 -0.139 0.000 0.886 180 S CB 1.623 64.707 63.200 -0.192 0.000 1.109 180 S HN 0.941 nan 8.310 nan 0.000 0.458 181 Q N 2.749 122.499 119.800 -0.082 0.000 2.392 181 Q HA 0.248 4.588 4.340 -0.000 0.000 0.262 181 Q C -0.942 175.090 176.000 0.053 0.000 1.003 181 Q CA -0.051 55.724 55.803 -0.048 0.000 0.888 181 Q CB 0.310 29.044 28.738 -0.006 0.000 1.260 181 Q HN 0.647 nan 8.270 nan 0.000 0.435 182 Y N 1.079 121.396 120.300 0.027 0.000 2.511 182 Y HA 0.313 4.863 4.550 -0.000 0.000 0.347 182 Y C 0.243 176.220 175.900 0.128 0.000 1.257 182 Y CA 0.202 58.340 58.100 0.063 0.000 1.469 182 Y CB 0.804 39.317 38.460 0.089 0.000 1.353 182 Y HN 0.721 nan 8.280 nan 0.000 0.617 183 A N 2.594 125.603 122.820 0.315 0.000 2.577 183 A HA 0.477 4.797 4.320 -0.000 0.000 0.297 183 A C -1.090 176.477 177.584 -0.028 0.000 1.060 183 A CA -0.975 51.215 52.037 0.256 0.000 0.697 183 A CB 0.935 20.093 19.000 0.263 0.000 1.281 183 A HN 0.640 nan 8.150 nan 0.000 0.402 184 M N 2.026 121.399 119.600 -0.378 0.000 2.760 184 M HA 0.254 4.734 4.480 -0.000 0.000 0.314 184 M C 0.212 176.151 176.300 -0.601 0.000 1.582 184 M CA 0.362 55.147 55.300 -0.858 0.000 1.484 184 M CB -0.989 30.455 32.600 -1.928 0.000 1.621 184 M HN 0.553 nan 8.290 nan 0.000 0.470 185 R N 4.051 124.282 120.500 -0.449 0.000 2.357 185 R HA 0.605 4.944 4.340 -0.000 0.000 0.296 185 R C -1.152 174.697 176.300 -0.752 0.000 1.052 185 R CA 0.024 55.786 56.100 -0.563 0.000 0.988 185 R CB 0.531 30.543 30.300 -0.479 0.000 1.025 185 R HN 0.729 nan 8.270 nan 0.000 0.469 186 I N 4.099 124.167 120.570 -0.837 0.000 2.468 186 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 186 I C -0.910 174.891 176.117 -0.526 0.000 1.038 186 I CA -0.589 60.372 61.300 -0.565 0.000 1.083 186 I CB 1.529 39.354 38.000 -0.292 0.000 1.223 186 I HN 0.535 nan 8.210 nan 0.000 0.443 187 W N 7.150 128.453 121.300 0.005 0.000 2.289 187 W HA 0.496 5.155 4.660 -0.000 0.000 0.342 187 W C 0.008 176.552 176.519 0.041 0.000 0.958 187 W CA -0.751 56.607 57.345 0.021 0.000 1.492 187 W CB 0.486 29.947 29.460 0.001 0.000 1.336 187 W HN 0.225 nan 8.180 nan 0.000 0.371 188 M N 3.369 123.109 119.600 0.234 0.000 2.268 188 M HA 0.009 4.489 4.480 -0.000 0.000 0.349 188 M C 0.549 176.904 176.300 0.091 0.000 1.485 188 M CA 0.503 55.906 55.300 0.171 0.000 1.094 188 M CB 0.192 32.928 32.600 0.225 0.000 1.843 188 M HN 0.294 nan 8.290 nan 0.000 0.460 189 N N 5.781 124.454 118.700 -0.046 0.000 2.422 189 N HA 0.221 4.961 4.740 -0.000 0.000 0.264 189 N C -1.882 173.326 175.510 -0.503 0.000 1.063 189 N CA -1.525 51.322 53.050 -0.338 0.000 0.959 189 N CB 1.490 39.879 38.487 -0.164 0.000 1.087 189 N HN 0.367 nan 8.380 nan 0.000 0.483 190 P HA 0.025 nan 4.420 nan 0.000 0.231 190 P C 0.395 177.413 177.300 -0.470 0.000 1.168 190 P CA 0.692 63.264 63.100 -0.879 0.000 0.779 190 P CB 0.661 31.331 31.700 -1.718 0.000 0.844 191 N N 0.488 118.899 118.700 -0.481 0.000 2.250 191 N HA -0.067 4.673 4.740 -0.000 0.000 0.181 191 N C 1.385 176.822 175.510 -0.122 0.000 1.017 191 N CA 0.955 53.872 53.050 -0.222 0.000 0.866 191 N CB -0.474 37.914 38.487 -0.164 0.000 0.985 191 N HN 0.259 nan 8.380 nan 0.000 0.429 192 E N 0.451 120.600 120.200 -0.086 0.000 2.463 192 E HA 0.052 4.401 4.350 -0.000 0.000 0.191 192 E C 1.278 177.989 176.600 0.185 0.000 1.083 192 E CA -0.062 56.387 56.400 0.081 0.000 0.872 192 E CB 0.347 30.123 29.700 0.127 0.000 0.966 192 E HN 0.343 nan 8.360 nan 0.000 0.491 193 L N 0.052 121.311 121.223 0.060 0.000 2.362 193 L HA 0.056 4.396 4.340 -0.000 0.000 0.204 193 L C 2.053 178.993 176.870 0.116 0.000 1.060 193 L CA 0.461 55.369 54.840 0.113 0.000 0.827 193 L CB -0.068 42.031 42.059 0.067 0.000 1.027 193 L HN 0.128 nan 8.230 nan 0.000 0.474 194 N N 0.403 119.122 118.700 0.032 0.000 2.396 194 N HA -0.232 4.508 4.740 -0.000 0.000 0.180 194 N C 1.757 177.190 175.510 -0.128 0.000 1.028 194 N CA 0.484 53.497 53.050 -0.061 0.000 0.893 194 N CB 0.281 38.633 38.487 -0.225 0.000 0.967 194 N HN 0.185 nan 8.380 nan 0.000 0.440 195 K N -0.166 120.146 120.400 -0.146 0.000 2.217 195 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 195 K C 0.287 176.572 176.600 -0.526 0.000 1.051 195 K CA 1.143 57.214 56.287 -0.359 0.000 0.952 195 K CB 0.061 32.288 32.500 -0.456 0.000 0.736 195 K HN 0.131 nan 8.250 nan 0.000 0.453 196 F N 1.172 121.099 119.950 -0.038 0.000 2.661 196 F HA 0.274 4.801 4.527 -0.000 0.000 0.306 196 F C -0.745 175.047 175.800 -0.014 0.000 1.094 196 F CA -0.694 57.292 58.000 -0.023 0.000 1.254 196 F CB 0.271 39.262 39.000 -0.014 0.000 1.040 196 F HN -0.065 nan 8.300 nan 0.000 0.562 197 Q N 1.151 121.014 119.800 0.105 0.000 2.416 197 Q HA -0.102 4.238 4.340 -0.000 0.000 0.353 197 Q C -1.112 174.955 176.000 0.112 0.000 1.408 197 Q CA 0.513 56.363 55.803 0.077 0.000 0.939 197 Q CB -1.512 27.254 28.738 0.048 0.000 1.112 197 Q HN 0.492 nan 8.270 nan 0.000 0.321 198 L N -0.208 121.093 121.223 0.129 0.000 2.765 198 L HA 0.829 5.169 4.340 -0.000 0.000 0.263 198 L C -0.121 176.847 176.870 0.164 0.000 1.068 198 L CA -0.601 54.317 54.840 0.131 0.000 0.903 198 L CB 2.515 44.647 42.059 0.121 0.000 1.512 198 L HN 0.536 nan 8.230 nan 0.000 0.404 199 T N -3.933 110.714 114.554 0.155 0.000 2.865 199 T HA 0.453 4.803 4.350 -0.000 0.000 0.294 199 T C -2.593 172.204 174.700 0.163 0.000 1.119 199 T CA -1.626 60.590 62.100 0.194 0.000 1.007 199 T CB 1.942 70.918 68.868 0.180 0.000 1.225 199 T HN 0.274 nan 8.240 nan 0.000 0.515 200 P HA 0.068 nan 4.420 nan 0.000 0.226 200 P C 1.496 178.843 177.300 0.078 0.000 1.153 200 P CA 0.181 63.355 63.100 0.124 0.000 0.777 200 P CB -0.160 31.602 31.700 0.102 0.000 0.794 201 V N 0.471 120.434 119.914 0.081 0.000 2.515 201 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 201 V C 1.925 178.044 176.094 0.042 0.000 1.058 201 V CA 1.854 64.187 62.300 0.055 0.000 1.064 201 V CB -0.975 30.882 31.823 0.058 0.000 0.675 201 V HN 0.177 nan 8.190 nan 0.000 0.461 202 D N -0.045 120.386 120.400 0.051 0.000 2.234 202 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 202 D C 2.134 178.447 176.300 0.021 0.000 0.962 202 D CA 0.987 55.008 54.000 0.034 0.000 0.855 202 D CB 0.315 41.140 40.800 0.043 0.000 0.951 202 D HN 0.372 nan 8.370 nan 0.000 0.500 203 V N 1.465 121.398 119.914 0.031 0.000 2.323 203 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 203 V C 2.538 178.634 176.094 0.004 0.000 1.041 203 V CA 0.989 63.300 62.300 0.018 0.000 1.025 203 V CB -0.297 31.547 31.823 0.035 0.000 0.656 203 V HN 0.116 nan 8.190 nan 0.000 0.451 204 I N 0.287 120.860 120.570 0.006 0.000 2.286 204 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 204 I C 2.521 178.627 176.117 -0.019 0.000 1.115 204 I CA 1.765 63.058 61.300 -0.012 0.000 1.392 204 I CB -0.526 37.470 38.000 -0.007 0.000 1.065 204 I HN 0.309 nan 8.210 nan 0.000 0.418 205 T N 0.524 115.072 114.554 -0.010 0.000 2.867 205 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 205 T C 1.974 176.658 174.700 -0.026 0.000 1.057 205 T CA 1.278 63.369 62.100 -0.015 0.000 1.136 205 T CB -0.212 68.652 68.868 -0.006 0.000 0.874 205 T HN 0.465 nan 8.240 nan 0.000 0.466 206 A N 1.012 123.816 122.820 -0.027 0.000 2.066 206 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 206 A C 2.132 179.680 177.584 -0.059 0.000 1.157 206 A CA 0.809 52.821 52.037 -0.042 0.000 0.670 206 A CB -0.579 18.397 19.000 -0.041 0.000 0.804 206 A HN 0.576 nan 8.150 nan 0.000 0.453 207 I N -1.300 119.242 120.570 -0.046 0.000 2.852 207 I HA -0.035 4.135 4.170 -0.000 0.000 0.264 207 I C 0.579 176.663 176.117 -0.056 0.000 1.179 207 I CA 0.593 61.864 61.300 -0.048 0.000 1.480 207 I CB -0.162 37.842 38.000 0.005 0.000 1.111 207 I HN 0.118 nan 8.210 nan 0.000 0.441 208 K N 1.952 122.322 120.400 -0.051 0.000 2.997 208 K HA 0.501 4.821 4.320 -0.000 0.000 0.249 208 K C 0.316 176.890 176.600 -0.043 0.000 1.284 208 K CA 0.116 56.374 56.287 -0.048 0.000 1.245 208 K CB 0.777 33.249 32.500 -0.046 0.000 1.670 208 K HN 0.295 nan 8.250 nan 0.000 0.385 209 A N -0.031 122.757 122.820 -0.053 0.000 1.889 209 A HA -0.065 4.255 4.320 -0.000 0.000 0.204 209 A C 1.379 178.924 177.584 -0.065 0.000 1.739 209 A CA -0.231 51.776 52.037 -0.050 0.000 1.589 209 A CB 0.097 19.070 19.000 -0.045 0.000 1.485 209 A HN 0.262 nan 8.150 nan 0.000 0.472 210 Q N -0.155 119.591 119.800 -0.089 0.000 2.163 210 Q HA 0.023 4.362 4.340 -0.000 0.000 0.198 210 Q C 0.268 176.177 176.000 -0.152 0.000 0.954 210 Q CA 1.054 56.786 55.803 -0.118 0.000 0.851 210 Q CB 0.016 28.669 28.738 -0.142 0.000 0.928 210 Q HN 0.498 nan 8.270 nan 0.000 0.459 211 N N 0.895 119.494 118.700 -0.168 0.000 2.918 211 N HA 0.342 5.082 4.740 -0.000 0.000 0.247 211 N C -1.635 173.840 175.510 -0.058 0.000 1.117 211 N CA -0.071 52.886 53.050 -0.156 0.000 1.005 211 N CB 0.397 38.765 38.487 -0.199 0.000 1.297 211 N HN 0.179 nan 8.380 nan 0.000 0.513 212 A N 1.658 124.450 122.820 -0.046 0.000 2.608 212 A HA 0.506 4.826 4.320 -0.000 0.000 0.292 212 A C -1.485 176.089 177.584 -0.016 0.000 1.066 212 A CA -0.775 51.249 52.037 -0.022 0.000 0.676 212 A CB 1.344 20.327 19.000 -0.029 0.000 1.277 212 A HN 0.361 nan 8.150 nan 0.000 0.413 213 Q N 0.850 120.645 119.800 -0.007 0.000 2.333 213 Q HA 0.548 4.888 4.340 -0.000 0.000 0.265 213 Q C -1.119 174.876 176.000 -0.008 0.000 0.989 213 Q CA -0.420 55.379 55.803 -0.007 0.000 0.842 213 Q CB 2.043 30.780 28.738 -0.000 0.000 1.262 213 Q HN 0.552 nan 8.270 nan 0.000 0.451 214 V N 1.272 121.180 119.914 -0.011 0.000 2.547 214 V HA 0.539 4.659 4.120 -0.000 0.000 0.299 214 V C -0.088 176.001 176.094 -0.008 0.000 1.040 214 V CA -0.785 61.509 62.300 -0.010 0.000 0.913 214 V CB 1.771 33.586 31.823 -0.013 0.000 0.992 214 V HN 0.812 nan 8.190 nan 0.000 0.449 215 A N 3.670 126.486 122.820 -0.007 0.000 2.910 215 A HA 0.750 5.070 4.320 -0.000 0.000 0.316 215 A C 0.565 178.145 177.584 -0.006 0.000 1.493 215 A CA -0.101 51.933 52.037 -0.006 0.000 1.150 215 A CB -0.343 18.654 19.000 -0.005 0.000 1.159 215 A HN 1.168 nan 8.150 nan 0.000 0.526 216 A N 1.434 124.250 122.820 -0.007 0.000 2.366 216 A HA 0.618 4.938 4.320 -0.000 0.000 0.249 216 A C 1.220 178.801 177.584 -0.006 0.000 1.084 216 A CA 0.258 52.290 52.037 -0.007 0.000 0.794 216 A CB 0.038 19.034 19.000 -0.007 0.000 1.034 216 A HN 1.085 nan 8.150 nan 0.000 0.491 217 G N -0.167 108.630 108.800 -0.005 0.000 2.913 217 G HA2 0.451 4.411 3.960 -0.000 0.000 0.145 217 G HA3 0.451 4.411 3.960 -0.000 0.000 0.145 217 G C -0.048 174.850 174.900 -0.004 0.000 1.801 217 G CA 0.611 45.708 45.100 -0.005 0.000 1.033 217 G HN 1.204 nan 8.290 nan 0.000 0.495 218 Q N -1.262 118.535 119.800 -0.004 0.000 2.403 218 Q HA 0.445 4.785 4.340 -0.000 0.000 0.267 218 Q C -1.269 174.729 176.000 -0.004 0.000 0.991 218 Q CA -0.839 54.962 55.803 -0.004 0.000 0.906 218 Q CB 1.169 29.905 28.738 -0.004 0.000 1.422 218 Q HN 0.367 nan 8.270 nan 0.000 0.400 219 L N 1.979 123.200 121.223 -0.003 0.000 2.490 219 L HA 0.382 4.721 4.340 -0.000 0.000 0.274 219 L C 1.329 178.198 176.870 -0.003 0.000 1.201 219 L CA 1.233 56.071 54.840 -0.003 0.000 0.869 219 L CB -0.072 41.985 42.059 -0.003 0.000 1.123 219 L HN 1.186 nan 8.230 nan 0.000 0.484 220 G N 1.956 110.754 108.800 -0.003 0.000 2.253 220 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.251 220 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.251 220 G C 0.422 175.320 174.900 -0.002 0.000 0.998 220 G CA -0.099 44.999 45.100 -0.002 0.000 0.621 220 G HN 1.059 nan 8.290 nan 0.000 0.524 221 G N -1.887 106.911 108.800 -0.003 0.000 2.705 221 G HA2 0.588 4.548 3.960 -0.000 0.000 0.299 221 G HA3 0.588 4.548 3.960 -0.000 0.000 0.299 221 G C 0.702 175.600 174.900 -0.003 0.000 1.315 221 G CA 1.044 46.142 45.100 -0.003 0.000 1.045 221 G HN 0.298 nan 8.290 nan 0.000 0.517 222 T N 0.606 115.159 114.554 -0.003 0.000 2.925 222 T HA 0.187 4.537 4.350 -0.000 0.000 0.245 222 T C -1.555 173.144 174.700 -0.002 0.000 1.025 222 T CA 0.656 62.755 62.100 -0.003 0.000 1.149 222 T CB -0.250 68.616 68.868 -0.003 0.000 0.866 222 T HN 0.421 nan 8.240 nan 0.000 0.437 223 P HA 0.408 nan 4.420 nan 0.000 0.288 223 P C -2.576 174.723 177.300 -0.002 0.000 1.363 223 P CA -1.143 61.956 63.100 -0.002 0.000 0.837 223 P CB 0.908 32.607 31.700 -0.002 0.000 0.981 224 P HA 0.270 nan 4.420 nan 0.000 0.310 224 P C -0.746 176.553 177.300 -0.002 0.000 1.309 224 P CA -0.621 62.478 63.100 -0.002 0.000 0.769 224 P CB 0.707 32.406 31.700 -0.002 0.000 1.327 225 V N -1.502 118.411 119.914 -0.002 0.000 2.465 225 V HA 0.318 4.438 4.120 -0.000 0.000 0.279 225 V C 0.234 176.327 176.094 -0.002 0.000 1.045 225 V CA -1.004 61.295 62.300 -0.002 0.000 0.938 225 V CB -0.034 31.788 31.823 -0.002 0.000 0.986 225 V HN 0.330 nan 8.190 nan 0.000 0.467 226 K N 3.890 124.290 120.400 -0.001 0.000 2.315 226 K HA 0.470 4.790 4.320 -0.000 0.000 0.281 226 K C 1.027 177.627 176.600 -0.001 0.000 1.086 226 K CA 0.879 57.165 56.287 -0.001 0.000 1.042 226 K CB -0.137 32.362 32.500 -0.001 0.000 0.949 226 K HN 1.238 nan 8.250 nan 0.000 0.450 227 G N 1.803 110.603 108.800 -0.001 0.000 2.370 227 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.174 227 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.174 227 G C -0.250 174.649 174.900 -0.001 0.000 1.002 227 G CA -0.714 44.386 45.100 -0.001 0.000 0.730 227 G HN 0.497 nan 8.290 nan 0.000 0.497 228 Q N 0.235 120.034 119.800 -0.001 0.000 2.364 228 Q HA 0.598 4.937 4.340 -0.000 0.000 0.267 228 Q C 1.398 177.397 176.000 -0.001 0.000 0.999 228 Q CA 0.508 56.310 55.803 -0.001 0.000 0.886 228 Q CB 1.071 29.808 28.738 -0.002 0.000 1.243 228 Q HN 0.232 nan 8.270 nan 0.000 0.415 229 Q N 1.950 121.749 119.800 -0.001 0.000 2.324 229 Q HA 0.331 4.671 4.340 -0.000 0.000 0.207 229 Q C -0.308 175.691 176.000 -0.001 0.000 0.928 229 Q CA 0.700 56.502 55.803 -0.001 0.000 0.890 229 Q CB 0.336 29.073 28.738 -0.001 0.000 1.001 229 Q HN 0.696 nan 8.270 nan 0.000 0.517 230 L N -1.815 119.407 121.223 -0.001 0.000 2.301 230 L HA 0.662 5.002 4.340 -0.000 0.000 0.264 230 L C -1.039 175.830 176.870 -0.002 0.000 1.016 230 L CA -0.821 54.018 54.840 -0.002 0.000 0.821 230 L CB 2.241 44.299 42.059 -0.002 0.000 1.346 230 L HN -0.051 nan 8.230 nan 0.000 0.429 231 N N 1.789 120.487 118.700 -0.002 0.000 2.747 231 N HA 0.558 5.298 4.740 -0.000 0.000 0.262 231 N C -1.853 173.656 175.510 -0.002 0.000 1.261 231 N CA -0.132 52.917 53.050 -0.002 0.000 0.809 231 N CB 1.887 40.373 38.487 -0.002 0.000 1.450 231 N HN 1.021 nan 8.380 nan 0.000 0.560 232 A N 1.522 124.340 122.820 -0.002 0.000 2.423 232 A HA 0.702 5.022 4.320 -0.000 0.000 0.304 232 A C -0.278 177.304 177.584 -0.003 0.000 1.104 232 A CA -0.591 51.444 52.037 -0.003 0.000 0.757 232 A CB 1.304 20.303 19.000 -0.003 0.000 1.313 232 A HN 0.551 nan 8.150 nan 0.000 0.423 233 S N 0.825 116.524 115.700 -0.003 0.000 2.489 233 S HA 0.599 5.068 4.470 -0.000 0.000 0.277 233 S C -0.181 174.416 174.600 -0.004 0.000 1.230 233 S CA -0.386 57.811 58.200 -0.004 0.000 1.053 233 S CB 0.136 63.334 63.200 -0.004 0.000 0.955 233 S HN 0.490 nan 8.310 nan 0.000 0.488 234 I N 3.040 123.608 120.570 -0.005 0.000 2.496 234 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 234 I C -0.277 175.836 176.117 -0.006 0.000 1.080 234 I CA -0.439 60.857 61.300 -0.005 0.000 1.404 234 I CB 0.492 38.489 38.000 -0.006 0.000 1.403 234 I HN 0.536 nan 8.210 nan 0.000 0.539 235 I N 5.297 125.863 120.570 -0.006 0.000 2.577 235 I HA 0.586 4.755 4.170 -0.000 0.000 0.305 235 I C 0.482 176.594 176.117 -0.009 0.000 0.986 235 I CA 0.258 61.554 61.300 -0.007 0.000 1.189 235 I CB 1.653 39.649 38.000 -0.006 0.000 1.355 235 I HN 0.745 nan 8.210 nan 0.000 0.476 236 A N 3.502 126.316 122.820 -0.010 0.000 4.069 236 A HA 0.507 4.827 4.320 -0.000 0.000 0.188 236 A C -0.747 176.827 177.584 -0.016 0.000 0.718 236 A CA -0.479 51.551 52.037 -0.013 0.000 0.753 236 A CB 0.268 19.260 19.000 -0.013 0.000 1.566 236 A HN 0.512 nan 8.150 nan 0.000 0.836 237 Q N 1.054 120.842 119.800 -0.019 0.000 2.308 237 Q HA 0.115 4.454 4.340 -0.000 0.000 0.313 237 Q C -0.729 175.259 176.000 -0.020 0.000 1.075 237 Q CA 0.813 56.601 55.803 -0.025 0.000 0.995 237 Q CB 0.037 28.758 28.738 -0.029 0.000 1.107 237 Q HN 0.524 nan 8.270 nan 0.000 0.380 238 T N 3.440 117.981 114.554 -0.022 0.000 2.855 238 T HA 0.309 4.659 4.350 -0.000 0.000 0.281 238 T C 0.118 174.809 174.700 -0.014 0.000 1.007 238 T CA -0.674 61.418 62.100 -0.013 0.000 1.009 238 T CB 0.945 69.808 68.868 -0.009 0.000 0.983 238 T HN 0.396 nan 8.240 nan 0.000 0.455 239 R N 2.137 122.640 120.500 0.005 0.000 2.570 239 R HA 0.176 4.516 4.340 -0.000 0.000 0.277 239 R C 0.024 176.355 176.300 0.051 0.000 1.039 239 R CA -0.652 55.467 56.100 0.031 0.000 1.065 239 R CB 0.226 30.564 30.300 0.063 0.000 0.964 239 R HN 0.327 nan 8.270 nan 0.000 0.428 240 L N 2.008 123.258 121.223 0.044 0.000 2.467 240 L HA 0.008 4.348 4.340 -0.000 0.000 0.270 240 L C 1.361 178.412 176.870 0.302 0.000 1.205 240 L CA 1.036 55.913 54.840 0.061 0.000 0.828 240 L CB 0.981 42.888 42.059 -0.254 0.000 1.101 240 L HN 0.789 nan 8.230 nan 0.000 0.479 241 T N -0.855 113.854 114.554 0.259 0.000 2.987 241 T HA 0.070 4.420 4.350 -0.000 0.000 0.248 241 T C 0.645 175.535 174.700 0.317 0.000 0.997 241 T CA 0.189 62.446 62.100 0.261 0.000 1.013 241 T CB 0.473 69.417 68.868 0.127 0.000 1.077 241 T HN 0.541 nan 8.240 nan 0.000 0.483 242 S N 0.026 115.893 115.700 0.279 0.000 2.632 242 S HA 0.430 4.899 4.470 -0.000 0.000 0.289 242 S C 1.244 175.971 174.600 0.212 0.000 1.115 242 S CA -0.104 58.221 58.200 0.208 0.000 0.889 242 S CB 1.660 64.934 63.200 0.123 0.000 1.116 242 S HN 0.090 nan 8.310 nan 0.000 0.486 243 T N 0.764 115.378 114.554 0.100 0.000 2.803 243 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 243 T C 1.434 176.187 174.700 0.089 0.000 1.052 243 T CA 2.416 64.543 62.100 0.046 0.000 1.136 243 T CB -0.581 68.276 68.868 -0.018 0.000 0.864 243 T HN 0.732 nan 8.240 nan 0.000 0.467 244 E N 0.071 120.318 120.200 0.078 0.000 2.072 244 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 244 E C 2.161 178.795 176.600 0.057 0.000 0.985 244 E CA 1.274 57.708 56.400 0.056 0.000 0.801 244 E CB -0.070 29.654 29.700 0.040 0.000 0.750 244 E HN 0.688 nan 8.360 nan 0.000 0.452 245 E N -0.481 119.761 120.200 0.071 0.000 2.204 245 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 245 E C 1.805 178.370 176.600 -0.059 0.000 0.989 245 E CA 0.677 57.078 56.400 0.002 0.000 0.824 245 E CB -0.130 29.564 29.700 -0.009 0.000 0.756 245 E HN 0.349 nan 8.360 nan 0.000 0.477 246 F N 0.799 120.712 119.950 -0.062 0.000 2.367 246 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 246 F C 2.418 178.168 175.800 -0.082 0.000 1.094 246 F CA 0.985 58.928 58.000 -0.094 0.000 1.409 246 F CB -0.120 38.789 39.000 -0.152 0.000 1.064 246 F HN 0.036 nan 8.300 nan 0.000 0.528 247 G N -0.503 108.355 108.800 0.097 0.000 2.484 247 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.218 247 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.218 247 G C 1.351 176.246 174.900 -0.009 0.000 1.130 247 G CA 0.208 45.329 45.100 0.034 0.000 0.784 247 G HN 0.238 nan 8.290 nan 0.000 0.543 248 K N 0.482 120.866 120.400 -0.026 0.000 2.570 248 K HA 0.300 4.619 4.320 -0.000 0.000 0.210 248 K C -0.036 176.519 176.600 -0.075 0.000 1.048 248 K CA -0.260 55.999 56.287 -0.048 0.000 1.167 248 K CB 0.540 33.015 32.500 -0.041 0.000 0.892 248 K HN 0.284 nan 8.250 nan 0.000 0.480 249 I N 1.936 122.453 120.570 -0.088 0.000 2.474 249 I HA 0.043 4.213 4.170 -0.000 0.000 0.287 249 I C 0.054 176.120 176.117 -0.085 0.000 1.048 249 I CA -0.817 60.419 61.300 -0.107 0.000 1.383 249 I CB 0.554 38.477 38.000 -0.128 0.000 1.412 249 I HN -0.038 nan 8.210 nan 0.000 0.531 250 L N 6.986 128.161 121.223 -0.081 0.000 2.278 250 L HA 0.221 4.561 4.340 -0.000 0.000 0.287 250 L C 0.442 177.271 176.870 -0.068 0.000 1.072 250 L CA 0.459 55.256 54.840 -0.072 0.000 0.819 250 L CB 0.847 42.870 42.059 -0.060 0.000 1.176 250 L HN 0.578 nan 8.230 nan 0.000 0.435 251 L N 3.509 124.685 121.223 -0.078 0.000 2.200 251 L HA 0.242 4.581 4.340 -0.000 0.000 0.200 251 L C 0.839 177.678 176.870 -0.051 0.000 1.072 251 L CA 0.641 55.442 54.840 -0.066 0.000 0.787 251 L CB -0.006 42.001 42.059 -0.086 0.000 0.957 251 L HN 0.547 nan 8.230 nan 0.000 0.459 252 K N -0.864 119.498 120.400 -0.065 0.000 2.533 252 K HA 0.522 4.842 4.320 -0.000 0.000 0.272 252 K C -1.751 174.830 176.600 -0.032 0.000 0.985 252 K CA -0.610 55.655 56.287 -0.036 0.000 0.876 252 K CB 2.767 35.255 32.500 -0.020 0.000 1.452 252 K HN -0.320 nan 8.250 nan 0.000 0.439 253 V N 1.377 121.287 119.914 -0.007 0.000 2.380 253 V HA 0.272 4.392 4.120 -0.000 0.000 0.272 253 V C -0.635 175.472 176.094 0.022 0.000 1.011 253 V CA -1.026 61.274 62.300 0.001 0.000 0.826 253 V CB 0.706 32.527 31.823 -0.004 0.000 1.040 253 V HN 0.702 nan 8.190 nan 0.000 0.441 254 N N 3.553 122.280 118.700 0.044 0.000 2.431 254 N HA 0.213 4.953 4.740 -0.000 0.000 0.265 254 N C 1.223 176.757 175.510 0.041 0.000 1.184 254 N CA 0.012 53.099 53.050 0.062 0.000 0.943 254 N CB 0.815 39.372 38.487 0.116 0.000 1.080 254 N HN 0.837 nan 8.380 nan 0.000 0.477 255 Q N 1.733 121.550 119.800 0.030 0.000 2.238 255 Q HA -0.448 3.892 4.340 -0.000 0.000 0.278 255 Q C 0.741 176.751 176.000 0.017 0.000 2.532 255 Q CA 2.488 58.303 55.803 0.020 0.000 0.675 255 Q CB -0.969 27.778 28.738 0.016 0.000 0.785 255 Q HN 0.826 nan 8.270 nan 0.000 0.651 256 D N 0.886 121.297 120.400 0.019 0.000 2.371 256 D HA 0.051 4.691 4.640 -0.000 0.000 0.234 256 D C 1.253 177.563 176.300 0.015 0.000 1.049 256 D CA 0.951 54.961 54.000 0.015 0.000 0.907 256 D CB -0.145 40.664 40.800 0.016 0.000 0.891 256 D HN 0.907 nan 8.370 nan 0.000 0.531 257 G N 0.871 109.680 108.800 0.016 0.000 2.157 257 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 257 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 257 G C 0.351 175.259 174.900 0.014 0.000 0.979 257 G CA 0.340 45.447 45.100 0.012 0.000 0.650 257 G HN 0.740 nan 8.290 nan 0.000 0.529 258 S N -0.222 115.494 115.700 0.027 0.000 2.576 258 S HA 0.658 5.128 4.470 -0.000 0.000 0.276 258 S C 0.291 174.902 174.600 0.019 0.000 1.339 258 S CA -0.255 57.966 58.200 0.034 0.000 1.039 258 S CB 1.525 64.766 63.200 0.068 0.000 0.902 258 S HN 0.502 nan 8.310 nan 0.000 0.516 259 R N 1.377 121.877 120.500 -0.001 0.000 2.343 259 R HA 0.476 4.816 4.340 -0.000 0.000 0.320 259 R C -1.283 174.959 176.300 -0.097 0.000 0.956 259 R CA -0.715 55.361 56.100 -0.039 0.000 0.836 259 R CB 1.723 32.000 30.300 -0.039 0.000 1.151 259 R HN 0.568 nan 8.270 nan 0.000 0.450 260 V N 5.797 125.609 119.914 -0.170 0.000 2.385 260 V HA 0.299 4.418 4.120 -0.000 0.000 0.269 260 V C 0.529 176.471 176.094 -0.253 0.000 1.043 260 V CA -0.456 61.621 62.300 -0.371 0.000 0.906 260 V CB 0.785 32.262 31.823 -0.578 0.000 0.995 260 V HN 0.570 nan 8.190 nan 0.000 0.467 261 L N 3.732 124.819 121.223 -0.226 0.000 2.376 261 L HA 0.425 4.765 4.340 -0.000 0.000 0.267 261 L C 1.212 177.999 176.870 -0.138 0.000 1.035 261 L CA -0.779 53.975 54.840 -0.143 0.000 0.800 261 L CB 0.903 42.905 42.059 -0.095 0.000 1.290 261 L HN 0.465 nan 8.230 nan 0.000 0.462 262 L N 1.187 122.360 121.223 -0.083 0.000 2.217 262 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 262 L C 2.562 179.411 176.870 -0.035 0.000 1.107 262 L CA 1.532 56.340 54.840 -0.052 0.000 0.783 262 L CB -0.824 41.225 42.059 -0.017 0.000 0.919 262 L HN 0.690 nan 8.230 nan 0.000 0.442 263 R N -0.865 119.617 120.500 -0.030 0.000 2.153 263 R HA -0.082 4.258 4.340 -0.000 0.000 0.218 263 R C 1.129 177.419 176.300 -0.017 0.000 1.072 263 R CA 1.352 57.446 56.100 -0.009 0.000 0.990 263 R CB -0.861 29.439 30.300 0.001 0.000 0.889 263 R HN 0.313 nan 8.270 nan 0.000 0.452 264 D N 1.160 121.524 120.400 -0.061 0.000 2.310 264 D HA -0.089 4.550 4.640 -0.000 0.000 0.212 264 D C 1.729 178.001 176.300 -0.047 0.000 0.965 264 D CA 1.277 55.235 54.000 -0.070 0.000 0.879 264 D CB 0.395 41.091 40.800 -0.173 0.000 0.921 264 D HN 0.287 nan 8.370 nan 0.000 0.510 265 V N -2.063 117.814 119.914 -0.062 0.000 3.523 265 V HA 0.565 4.685 4.120 -0.000 0.000 0.255 265 V C 0.306 176.412 176.094 0.021 0.000 1.226 265 V CA 0.681 62.977 62.300 -0.006 0.000 1.092 265 V CB 0.497 32.301 31.823 -0.032 0.000 0.817 265 V HN 0.031 nan 8.190 nan 0.000 0.458 266 A N 0.247 123.083 122.820 0.026 0.000 2.549 266 A HA 0.618 4.938 4.320 -0.000 0.000 0.297 266 A C -0.605 177.025 177.584 0.077 0.000 1.061 266 A CA -0.775 51.299 52.037 0.061 0.000 0.690 266 A CB 1.436 20.467 19.000 0.052 0.000 1.287 266 A HN 0.309 nan 8.150 nan 0.000 0.402 267 K N 1.093 121.578 120.400 0.141 0.000 2.295 267 K HA 0.538 4.858 4.320 -0.000 0.000 0.270 267 K C -1.132 175.552 176.600 0.140 0.000 1.011 267 K CA 0.060 56.447 56.287 0.167 0.000 0.953 267 K CB 0.288 32.938 32.500 0.249 0.000 0.956 267 K HN 0.578 nan 8.250 nan 0.000 0.477 268 I N 4.374 124.998 120.570 0.090 0.000 2.503 268 I HA 0.152 4.322 4.170 -0.000 0.000 0.282 268 I C -0.617 175.508 176.117 0.014 0.000 1.059 268 I CA -0.510 60.787 61.300 -0.005 0.000 1.081 268 I CB 1.634 39.617 38.000 -0.029 0.000 1.210 268 I HN 0.724 nan 8.210 nan 0.000 0.450 269 E N 6.615 126.829 120.200 0.024 0.000 2.343 269 E HA 0.437 4.787 4.350 -0.000 0.000 0.270 269 E C -1.671 174.889 176.600 -0.067 0.000 0.895 269 E CA -0.977 55.446 56.400 0.038 0.000 0.767 269 E CB 2.932 32.742 29.700 0.183 0.000 1.248 269 E HN 0.312 nan 8.360 nan 0.000 0.440 270 L N 2.851 123.986 121.223 -0.147 0.000 2.312 270 L HA 0.580 4.920 4.340 -0.000 0.000 0.287 270 L C -0.269 176.385 176.870 -0.361 0.000 1.091 270 L CA 0.447 55.093 54.840 -0.323 0.000 0.846 270 L CB 0.225 42.008 42.059 -0.459 0.000 1.219 270 L HN 0.741 nan 8.230 nan 0.000 0.439 271 G N 2.654 111.420 108.800 -0.056 0.000 2.694 271 G HA2 0.575 4.534 3.960 -0.000 0.000 0.290 271 G HA3 0.575 4.534 3.960 -0.000 0.000 0.290 271 G C -0.398 174.677 174.900 0.293 0.000 1.386 271 G CA -0.351 44.910 45.100 0.269 0.000 0.872 271 G HN 0.792 nan 8.290 nan 0.000 0.475 272 G N -0.978 107.896 108.800 0.123 0.000 2.630 272 G HA2 0.348 4.308 3.960 -0.000 0.000 0.236 272 G HA3 0.348 4.308 3.960 -0.000 0.000 0.236 272 G C 0.802 175.595 174.900 -0.178 0.000 1.248 272 G CA 0.500 45.524 45.100 -0.126 0.000 0.844 272 G HN 0.838 nan 8.290 nan 0.000 0.588 273 E N -0.582 119.548 120.200 -0.117 0.000 2.481 273 E HA -0.032 4.317 4.350 -0.000 0.000 0.195 273 E C 0.545 176.980 176.600 -0.274 0.000 1.047 273 E CA 0.012 56.309 56.400 -0.171 0.000 0.867 273 E CB 0.195 29.879 29.700 -0.027 0.000 0.858 273 E HN 0.397 nan 8.360 nan 0.000 0.513 274 N N -0.118 118.433 118.700 -0.248 0.000 2.542 274 N HA 0.021 4.761 4.740 -0.000 0.000 0.288 274 N C -1.450 173.949 175.510 -0.184 0.000 1.115 274 N CA -0.475 52.487 53.050 -0.146 0.000 0.924 274 N CB 1.045 39.455 38.487 -0.128 0.000 1.526 274 N HN -0.011 nan 8.380 nan 0.000 0.515 275 Y N 1.450 121.753 120.300 0.004 0.000 2.571 275 Y HA 0.260 4.810 4.550 -0.000 0.000 0.275 275 Y C 1.413 177.317 175.900 0.006 0.000 1.179 275 Y CA -0.394 57.718 58.100 0.020 0.000 1.242 275 Y CB 0.415 38.900 38.460 0.041 0.000 1.126 275 Y HN 0.505 nan 8.280 nan 0.000 0.524 276 D N 0.963 121.422 120.400 0.098 0.000 2.224 276 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 276 D C 0.415 176.746 176.300 0.052 0.000 0.965 276 D CA 1.190 55.229 54.000 0.065 0.000 0.852 276 D CB 0.336 41.155 40.800 0.031 0.000 0.947 276 D HN 0.404 nan 8.370 nan 0.000 0.494 277 I N -1.497 119.092 120.570 0.031 0.000 2.533 277 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 277 I C -1.373 174.769 176.117 0.042 0.000 1.056 277 I CA -1.286 60.042 61.300 0.047 0.000 1.057 277 I CB 2.130 40.158 38.000 0.046 0.000 1.240 277 I HN -0.305 nan 8.210 nan 0.000 0.423 278 I N 3.230 123.829 120.570 0.048 0.000 2.610 278 I HA 0.929 5.099 4.170 -0.000 0.000 0.289 278 I C -0.097 176.011 176.117 -0.015 0.000 1.163 278 I CA -1.028 60.286 61.300 0.023 0.000 1.044 278 I CB 1.374 39.384 38.000 0.017 0.000 1.251 278 I HN 0.821 nan 8.210 nan 0.000 0.424 279 A N 3.725 126.513 122.820 -0.053 0.000 2.269 279 A HA 0.924 5.244 4.320 -0.000 0.000 0.319 279 A C -0.570 176.849 177.584 -0.275 0.000 1.110 279 A CA -0.459 51.448 52.037 -0.216 0.000 0.847 279 A CB 0.967 19.753 19.000 -0.357 0.000 1.161 279 A HN 0.771 nan 8.150 nan 0.000 0.497 280 E N -0.239 119.730 120.200 -0.386 0.000 2.281 280 E HA 0.327 4.677 4.350 -0.000 0.000 0.266 280 E C -1.847 174.575 176.600 -0.297 0.000 0.893 280 E CA -0.263 55.977 56.400 -0.268 0.000 0.798 280 E CB 1.570 31.172 29.700 -0.163 0.000 1.245 280 E HN 0.465 nan 8.360 nan 0.000 0.410 281 F N 5.244 124.978 119.950 -0.360 0.000 2.462 281 F HA 0.259 4.785 4.527 -0.000 0.000 0.354 281 F C 0.067 175.820 175.800 -0.079 0.000 1.192 281 F CA -0.617 57.265 58.000 -0.197 0.000 1.173 281 F CB -0.250 38.713 39.000 -0.061 0.000 1.402 281 F HN 0.482 nan 8.300 nan 0.000 0.595 282 N N 3.857 122.341 118.700 -0.360 0.000 2.758 282 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 282 N C 0.951 176.355 175.510 -0.175 0.000 1.076 282 N CA 1.051 53.913 53.050 -0.313 0.000 0.696 282 N CB -1.510 36.693 38.487 -0.473 0.000 0.979 282 N HN 1.153 nan 8.380 nan 0.000 0.550 283 G N -0.562 108.165 108.800 -0.121 0.000 2.160 283 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.251 283 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.251 283 G C -0.206 174.657 174.900 -0.060 0.000 1.008 283 G CA 0.783 45.838 45.100 -0.075 0.000 0.724 283 G HN 0.669 nan 8.290 nan 0.000 0.514 284 Q N 0.368 120.136 119.800 -0.054 0.000 2.337 284 Q HA 0.527 4.867 4.340 -0.000 0.000 0.266 284 Q C -2.478 173.519 176.000 -0.005 0.000 1.023 284 Q CA -2.503 53.293 55.803 -0.010 0.000 0.829 284 Q CB 2.534 31.292 28.738 0.033 0.000 1.306 284 Q HN 0.170 nan 8.270 nan 0.000 0.449 285 P HA 0.116 nan 4.420 nan 0.000 0.271 285 P C -1.550 175.738 177.300 -0.019 0.000 1.233 285 P CA 0.263 63.350 63.100 -0.023 0.000 0.764 285 P CB 0.774 32.467 31.700 -0.012 0.000 0.825 286 A N 2.527 125.314 122.820 -0.054 0.000 2.572 286 A HA 0.653 4.973 4.320 -0.000 0.000 0.295 286 A C -0.346 177.211 177.584 -0.045 0.000 1.072 286 A CA -0.479 51.529 52.037 -0.049 0.000 0.691 286 A CB 1.688 20.655 19.000 -0.055 0.000 1.291 286 A HN 0.421 nan 8.150 nan 0.000 0.404 287 S N -0.978 114.739 115.700 0.028 0.000 2.721 287 S HA 0.967 5.437 4.470 -0.000 0.000 0.296 287 S C 0.054 174.800 174.600 0.244 0.000 1.093 287 S CA 0.127 58.396 58.200 0.115 0.000 0.959 287 S CB 1.705 64.937 63.200 0.055 0.000 1.301 287 S HN 2.414 nan 8.310 nan 0.000 0.550 288 G N 0.106 109.059 108.800 0.255 0.000 2.358 288 G HA2 0.342 4.302 3.960 -0.000 0.000 0.301 288 G HA3 0.342 4.302 3.960 -0.000 0.000 0.301 288 G C -2.245 172.786 174.900 0.219 0.000 1.539 288 G CA -0.921 44.288 45.100 0.181 0.000 0.893 288 G HN 0.648 nan 8.290 nan 0.000 0.636 289 L N 1.514 122.783 121.223 0.077 0.000 2.255 289 L HA 0.554 4.894 4.340 -0.000 0.000 0.289 289 L C 1.061 177.961 176.870 0.050 0.000 1.046 289 L CA -0.476 54.409 54.840 0.074 0.000 0.816 289 L CB 1.603 43.677 42.059 0.024 0.000 1.197 289 L HN 0.726 nan 8.230 nan 0.000 0.427 290 G N 5.169 114.047 108.800 0.129 0.000 2.857 290 G HA2 0.479 4.439 3.960 -0.000 0.000 0.326 290 G HA3 0.479 4.439 3.960 -0.000 0.000 0.326 290 G C -0.146 174.772 174.900 0.031 0.000 0.950 290 G CA -0.379 44.688 45.100 -0.055 0.000 1.400 290 G HN 0.395 nan 8.290 nan 0.000 0.473 291 I N 1.364 121.993 120.570 0.097 0.000 2.634 291 I HA 0.277 4.447 4.170 -0.000 0.000 0.284 291 I C 0.630 176.936 176.117 0.315 0.000 1.124 291 I CA 0.020 61.425 61.300 0.175 0.000 1.417 291 I CB 1.319 39.389 38.000 0.118 0.000 1.396 291 I HN 0.440 nan 8.210 nan 0.000 0.571 292 K N 6.405 126.973 120.400 0.280 0.000 2.385 292 K HA 0.545 4.865 4.320 -0.000 0.000 0.248 292 K C -1.104 175.575 176.600 0.132 0.000 0.955 292 K CA -0.811 55.613 56.287 0.229 0.000 0.816 292 K CB 1.632 34.247 32.500 0.191 0.000 1.250 292 K HN 0.466 nan 8.250 nan 0.000 0.434 293 L N 1.516 122.799 121.223 0.100 0.000 2.476 293 L HA 0.293 4.633 4.340 -0.000 0.000 0.255 293 L C 0.237 177.144 176.870 0.061 0.000 1.218 293 L CA 0.120 55.008 54.840 0.079 0.000 0.819 293 L CB 1.286 43.389 42.059 0.074 0.000 1.119 293 L HN 1.060 nan 8.230 nan 0.000 0.485 294 A N 0.416 123.267 122.820 0.052 0.000 2.911 294 A HA 0.312 4.631 4.320 -0.000 0.000 0.304 294 A C 0.475 178.077 177.584 0.031 0.000 1.144 294 A CA -0.076 51.985 52.037 0.040 0.000 0.988 294 A CB -0.337 18.685 19.000 0.036 0.000 1.141 294 A HN 0.840 nan 8.150 nan 0.000 0.552 295 T N -0.569 114.005 114.554 0.034 0.000 3.886 295 T HA -0.147 4.203 4.350 -0.000 0.000 0.371 295 T C 1.284 175.997 174.700 0.022 0.000 0.760 295 T CA 1.686 63.802 62.100 0.028 0.000 1.966 295 T CB -1.785 67.096 68.868 0.022 0.000 1.793 295 T HN 2.164 nan 8.240 nan 0.000 0.798 296 G N -1.322 107.496 108.800 0.030 0.000 2.738 296 G HA2 0.319 4.279 3.960 -0.000 0.000 0.195 296 G HA3 0.319 4.279 3.960 -0.000 0.000 0.195 296 G C 0.365 175.285 174.900 0.033 0.000 1.001 296 G CA 0.387 45.504 45.100 0.028 0.000 0.759 296 G HN 1.609 nan 8.290 nan 0.000 0.494 297 A N 0.506 123.348 122.820 0.035 0.000 2.521 297 A HA 0.442 4.761 4.320 -0.000 0.000 0.237 297 A C 1.152 178.764 177.584 0.045 0.000 1.087 297 A CA 0.906 52.966 52.037 0.038 0.000 0.777 297 A CB 0.073 19.099 19.000 0.043 0.000 1.035 297 A HN 0.360 nan 8.150 nan 0.000 0.510 298 N N 0.796 119.522 118.700 0.043 0.000 2.370 298 N HA 0.221 4.960 4.740 -0.000 0.000 0.198 298 N C 1.278 176.819 175.510 0.053 0.000 1.156 298 N CA 0.847 53.923 53.050 0.045 0.000 0.839 298 N CB -0.096 38.412 38.487 0.034 0.000 0.989 298 N HN 0.928 nan 8.380 nan 0.000 0.468 299 A N 1.934 124.792 122.820 0.062 0.000 4.974 299 A HA -0.338 3.982 4.320 -0.000 0.000 0.339 299 A C 1.566 179.192 177.584 0.069 0.000 1.785 299 A CA 1.929 54.011 52.037 0.075 0.000 0.707 299 A CB -1.697 17.356 19.000 0.088 0.000 1.430 299 A HN 0.366 nan 8.150 nan 0.000 0.398 300 L N -0.368 120.894 121.223 0.065 0.000 2.275 300 L HA 0.007 4.347 4.340 -0.000 0.000 0.215 300 L C 1.600 178.495 176.870 0.042 0.000 1.119 300 L CA 3.007 57.881 54.840 0.057 0.000 0.790 300 L CB -0.446 41.644 42.059 0.051 0.000 0.919 300 L HN 0.540 nan 8.230 nan 0.000 0.443 301 D N -0.437 119.985 120.400 0.037 0.000 2.137 301 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 301 D C 2.122 178.443 176.300 0.034 0.000 0.970 301 D CA 1.738 55.755 54.000 0.028 0.000 0.837 301 D CB -0.417 40.397 40.800 0.023 0.000 0.981 301 D HN 0.344 nan 8.370 nan 0.000 0.475 302 T N 0.642 115.222 114.554 0.042 0.000 2.759 302 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 302 T C 1.901 176.633 174.700 0.054 0.000 1.042 302 T CA 1.475 63.603 62.100 0.047 0.000 1.140 302 T CB -0.158 68.742 68.868 0.054 0.000 0.864 302 T HN 0.196 nan 8.240 nan 0.000 0.455 303 A N 0.767 123.623 122.820 0.060 0.000 2.016 303 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 303 A C 2.518 180.133 177.584 0.053 0.000 1.162 303 A CA 1.383 53.461 52.037 0.067 0.000 0.662 303 A CB -0.679 18.366 19.000 0.076 0.000 0.812 303 A HN 0.483 nan 8.150 nan 0.000 0.450 304 A N -0.241 122.603 122.820 0.039 0.000 1.969 304 A HA 0.273 4.593 4.320 -0.000 0.000 0.218 304 A C 2.244 179.847 177.584 0.031 0.000 1.169 304 A CA 1.625 53.678 52.037 0.027 0.000 0.635 304 A CB -0.582 18.428 19.000 0.018 0.000 0.810 304 A HN 0.968 nan 8.150 nan 0.000 0.445 305 A N -0.807 122.035 122.820 0.035 0.000 2.218 305 A HA 0.305 4.625 4.320 -0.000 0.000 0.209 305 A C 1.815 179.426 177.584 0.046 0.000 1.168 305 A CA 0.380 52.438 52.037 0.036 0.000 0.804 305 A CB -0.418 18.600 19.000 0.031 0.000 0.834 305 A HN 0.452 nan 8.150 nan 0.000 0.482 306 I N -1.098 119.506 120.570 0.057 0.000 2.439 306 I HA -0.139 4.031 4.170 -0.000 0.000 0.251 306 I C 2.601 178.768 176.117 0.083 0.000 1.139 306 I CA 0.714 62.056 61.300 0.071 0.000 1.438 306 I CB -0.125 37.926 38.000 0.085 0.000 1.085 306 I HN 0.189 nan 8.210 nan 0.000 0.427 307 R N 1.124 121.670 120.500 0.077 0.000 2.153 307 R HA 0.021 4.361 4.340 -0.000 0.000 0.218 307 R C 2.172 178.506 176.300 0.057 0.000 1.072 307 R CA 1.213 57.359 56.100 0.078 0.000 0.990 307 R CB -0.505 29.825 30.300 0.050 0.000 0.889 307 R HN 0.327 nan 8.270 nan 0.000 0.452 308 A N 1.290 124.137 122.820 0.045 0.000 1.851 308 A HA -0.161 4.158 4.320 -0.000 0.000 0.216 308 A C 1.978 179.586 177.584 0.041 0.000 1.195 308 A CA 1.423 53.481 52.037 0.036 0.000 0.622 308 A CB -0.362 18.656 19.000 0.030 0.000 0.831 308 A HN 0.213 nan 8.150 nan 0.000 0.444 309 E N -0.375 119.852 120.200 0.046 0.000 2.047 309 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 309 E C 2.094 178.732 176.600 0.063 0.000 0.987 309 E CA 1.031 57.461 56.400 0.049 0.000 0.799 309 E CB -0.586 29.140 29.700 0.044 0.000 0.752 309 E HN 0.632 nan 8.360 nan 0.000 0.449 310 L N 0.571 121.839 121.223 0.074 0.000 2.127 310 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 310 L C 2.228 179.134 176.870 0.060 0.000 1.089 310 L CA 1.527 56.424 54.840 0.094 0.000 0.757 310 L CB -0.179 41.953 42.059 0.121 0.000 0.899 310 L HN 0.053 nan 8.230 nan 0.000 0.434 311 A N -0.633 122.212 122.820 0.042 0.000 1.929 311 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 311 A C 2.093 179.668 177.584 -0.016 0.000 1.176 311 A CA 1.103 53.143 52.037 0.005 0.000 0.628 311 A CB -0.246 18.761 19.000 0.012 0.000 0.816 311 A HN 0.295 nan 8.150 nan 0.000 0.444 312 K N -0.786 119.632 120.400 0.031 0.000 2.365 312 K HA 0.109 4.429 4.320 -0.000 0.000 0.199 312 K C 1.508 178.196 176.600 0.146 0.000 1.045 312 K CA 0.871 57.205 56.287 0.078 0.000 0.962 312 K CB -0.327 32.230 32.500 0.096 0.000 0.759 312 K HN 0.540 nan 8.250 nan 0.000 0.469 313 M N 0.445 120.100 119.600 0.091 0.000 2.394 313 M HA -0.025 4.454 4.480 -0.000 0.000 0.266 313 M C 1.633 177.834 176.300 -0.165 0.000 1.098 313 M CA 0.959 56.356 55.300 0.162 0.000 1.149 313 M CB 0.109 32.847 32.600 0.230 0.000 1.369 313 M HN 0.075 nan 8.290 nan 0.000 0.450 314 E N 0.423 120.314 120.200 -0.515 0.000 2.070 314 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 314 E C -0.796 175.270 176.600 -0.890 0.000 1.004 314 E CA 1.371 57.090 56.400 -1.134 0.000 0.805 314 E CB -1.599 27.769 29.700 -0.554 0.000 0.744 314 E HN 0.417 nan 8.360 nan 0.000 0.451 315 P HA -0.145 nan 4.420 nan 0.000 0.218 315 P C 0.378 177.352 177.300 -0.543 0.000 1.148 315 P CA 1.136 63.873 63.100 -0.605 0.000 0.822 315 P CB -0.095 31.092 31.700 -0.855 0.000 0.784 316 F N -2.129 117.831 119.950 0.016 0.000 2.898 316 F HA 0.248 4.775 4.527 -0.000 0.000 0.290 316 F C 0.548 176.592 175.800 0.407 0.000 1.195 316 F CA -0.698 57.405 58.000 0.172 0.000 1.387 316 F CB -0.691 38.410 39.000 0.168 0.000 0.976 316 F HN -0.235 nan 8.300 nan 0.000 0.510 317 F N 1.663 121.718 119.950 0.176 0.000 2.385 317 F HA 0.457 4.984 4.527 -0.000 0.000 0.336 317 F C -1.435 174.350 175.800 -0.026 0.000 1.100 317 F CA -3.970 54.089 58.000 0.099 0.000 1.116 317 F CB 0.091 39.134 39.000 0.071 0.000 1.166 317 F HN -0.065 nan 8.300 nan 0.000 0.511 318 P HA -0.031 nan 4.420 nan 0.000 0.271 318 P C -0.476 176.812 177.300 -0.019 0.000 1.233 318 P CA -0.244 62.807 63.100 -0.082 0.000 0.795 318 P CB 0.405 31.950 31.700 -0.258 0.000 0.936 319 S N 0.216 115.908 115.700 -0.013 0.000 2.481 319 S HA 0.384 4.854 4.470 -0.000 0.000 0.282 319 S C 1.210 175.806 174.600 -0.006 0.000 1.243 319 S CA 0.860 59.063 58.200 0.006 0.000 1.078 319 S CB -1.452 61.752 63.200 0.006 0.000 0.916 319 S HN 0.810 nan 8.310 nan 0.000 0.495 320 G N 4.436 113.246 108.800 0.016 0.000 2.436 320 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.204 320 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.204 320 G C 0.070 174.980 174.900 0.017 0.000 1.026 320 G CA -0.239 44.868 45.100 0.012 0.000 0.658 320 G HN 0.683 nan 8.290 nan 0.000 0.499 321 L N 1.988 123.200 121.223 -0.018 0.000 2.660 321 L HA 0.385 4.725 4.340 -0.000 0.000 0.272 321 L C 0.452 177.412 176.870 0.151 0.000 1.194 321 L CA 1.208 56.014 54.840 -0.056 0.000 0.945 321 L CB 0.558 42.420 42.059 -0.328 0.000 1.212 321 L HN 0.546 nan 8.230 nan 0.000 0.490 322 K N 5.057 125.523 120.400 0.109 0.000 2.498 322 K HA 0.482 4.801 4.320 -0.000 0.000 0.254 322 K C -0.917 175.738 176.600 0.092 0.000 0.933 322 K CA -0.827 55.560 56.287 0.166 0.000 0.806 322 K CB 1.935 34.498 32.500 0.105 0.000 1.301 322 K HN 0.401 nan 8.250 nan 0.000 0.432 323 I N 3.735 124.368 120.570 0.105 0.000 2.472 323 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 323 I C -0.084 175.900 176.117 -0.222 0.000 1.016 323 I CA -0.655 60.594 61.300 -0.084 0.000 1.348 323 I CB 1.432 39.392 38.000 -0.066 0.000 1.417 323 I HN 0.407 nan 8.210 nan 0.000 0.521 324 V N 7.371 127.017 119.914 -0.447 0.000 3.102 324 V HA 0.473 4.593 4.120 -0.000 0.000 0.312 324 V C -1.608 174.098 176.094 -0.647 0.000 1.135 324 V CA -0.452 61.601 62.300 -0.412 0.000 1.022 324 V CB 2.742 34.308 31.823 -0.429 0.000 1.056 324 V HN 0.538 nan 8.190 nan 0.000 0.436 325 Y N 4.677 124.937 120.300 -0.067 0.000 2.749 325 Y HA 0.554 5.104 4.550 -0.000 0.000 0.343 325 Y C -2.171 173.738 175.900 0.015 0.000 1.015 325 Y CA -1.859 56.218 58.100 -0.039 0.000 1.270 325 Y CB 0.923 39.385 38.460 0.003 0.000 1.097 325 Y HN 0.553 nan 8.280 nan 0.000 0.571 326 P HA 0.144 nan 4.420 nan 0.000 0.284 326 P C -0.745 176.629 177.300 0.123 0.000 1.292 326 P CA -0.843 62.346 63.100 0.149 0.000 0.800 326 P CB 0.731 32.546 31.700 0.190 0.000 1.188 327 Y N -0.071 120.221 120.300 -0.013 0.000 2.818 327 Y HA -0.238 4.312 4.550 -0.000 0.000 0.185 327 Y C -0.422 175.459 175.900 -0.033 0.000 1.595 327 Y CA 0.883 58.946 58.100 -0.061 0.000 1.115 327 Y CB -1.011 37.322 38.460 -0.212 0.000 1.693 327 Y HN 0.290 nan 8.280 nan 0.000 0.308 328 D N 3.108 123.521 120.400 0.021 0.000 2.863 328 D HA 0.318 4.958 4.640 -0.000 0.000 0.245 328 D C 0.338 176.661 176.300 0.039 0.000 1.211 328 D CA -0.199 53.851 54.000 0.082 0.000 0.888 328 D CB 1.869 42.729 40.800 0.100 0.000 1.483 328 D HN 0.280 nan 8.370 nan 0.000 0.533 329 T N 1.432 116.040 114.554 0.089 0.000 3.009 329 T HA -0.039 4.311 4.350 -0.000 0.000 0.258 329 T C 1.657 176.457 174.700 0.168 0.000 1.063 329 T CA 1.089 63.255 62.100 0.109 0.000 1.139 329 T CB -0.015 68.929 68.868 0.127 0.000 0.890 329 T HN 0.496 nan 8.240 nan 0.000 0.471 330 T N 2.677 117.308 114.554 0.129 0.000 2.635 330 T HA -0.143 4.207 4.350 -0.000 0.000 0.265 330 T C -0.740 174.038 174.700 0.131 0.000 1.058 330 T CA 1.972 64.138 62.100 0.110 0.000 1.162 330 T CB -0.980 67.924 68.868 0.060 0.000 0.859 330 T HN 0.389 nan 8.240 nan 0.000 0.449 331 P HA 0.047 nan 4.420 nan 0.000 0.229 331 P C 1.228 178.678 177.300 0.250 0.000 1.160 331 P CA 0.568 63.770 63.100 0.170 0.000 0.777 331 P CB -0.252 31.549 31.700 0.169 0.000 0.814 332 F N 0.690 120.736 119.950 0.160 0.000 2.216 332 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 332 F C 2.207 178.035 175.800 0.048 0.000 1.085 332 F CA 1.034 59.130 58.000 0.161 0.000 1.326 332 F CB -0.674 38.433 39.000 0.179 0.000 1.027 332 F HN -0.283 nan 8.300 nan 0.000 0.497 333 V N 0.556 120.543 119.914 0.122 0.000 2.427 333 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 333 V C 2.278 178.340 176.094 -0.054 0.000 1.051 333 V CA 1.760 64.060 62.300 0.000 0.000 1.048 333 V CB -0.362 31.493 31.823 0.053 0.000 0.666 333 V HN 0.247 nan 8.190 nan 0.000 0.456 334 K N -0.714 119.681 120.400 -0.009 0.000 2.283 334 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 334 K C 1.805 178.384 176.600 -0.034 0.000 1.048 334 K CA 1.118 57.402 56.287 -0.005 0.000 0.948 334 K CB -0.100 32.420 32.500 0.033 0.000 0.742 334 K HN 0.362 nan 8.250 nan 0.000 0.458 335 I N 0.533 121.021 120.570 -0.136 0.000 2.852 335 I HA -0.101 4.068 4.170 -0.000 0.000 0.264 335 I C 1.641 177.559 176.117 -0.331 0.000 1.179 335 I CA 1.092 62.231 61.300 -0.268 0.000 1.480 335 I CB 0.174 37.901 38.000 -0.456 0.000 1.111 335 I HN -0.112 nan 8.210 nan 0.000 0.441 336 S N -0.224 115.259 115.700 -0.360 0.000 2.603 336 S HA 0.189 4.659 4.470 -0.000 0.000 0.220 336 S C 1.824 176.343 174.600 -0.135 0.000 0.967 336 S CA 0.593 58.611 58.200 -0.304 0.000 0.920 336 S CB 0.015 62.984 63.200 -0.384 0.000 0.773 336 S HN 0.332 nan 8.310 nan 0.000 0.529 337 I N -0.026 120.493 120.570 -0.086 0.000 2.947 337 I HA 0.045 4.215 4.170 -0.000 0.000 0.263 337 I C 2.112 178.250 176.117 0.034 0.000 1.130 337 I CA 0.601 61.891 61.300 -0.017 0.000 1.448 337 I CB -0.109 37.882 38.000 -0.015 0.000 1.222 337 I HN 0.227 nan 8.210 nan 0.000 0.453 338 H N 1.808 120.823 119.070 -0.092 0.000 2.563 338 H HA 0.099 4.654 4.556 -0.000 0.000 0.272 338 H C 0.287 175.554 175.328 -0.101 0.000 1.005 338 H CA 0.850 56.848 56.048 -0.084 0.000 1.171 338 H CB 0.096 29.811 29.762 -0.078 0.000 1.351 338 H HN 0.286 nan 8.280 nan 0.000 0.602 339 E N -0.088 120.024 120.200 -0.148 0.000 3.896 339 E HA 0.250 4.599 4.350 -0.000 0.000 0.217 339 E C -0.289 176.241 176.600 -0.116 0.000 1.150 339 E CA -0.092 56.186 56.400 -0.203 0.000 1.338 339 E CB 0.886 30.412 29.700 -0.290 0.000 1.242 339 E HN 0.172 nan 8.360 nan 0.000 0.435 340 V N -0.952 118.927 119.914 -0.059 0.000 3.601 340 V HA -0.126 3.994 4.120 -0.000 0.000 0.188 340 V C 1.329 177.415 176.094 -0.014 0.000 1.532 340 V CA 0.121 62.403 62.300 -0.030 0.000 1.069 340 V CB 0.794 32.642 31.823 0.041 0.000 1.084 340 V HN 0.201 nan 8.190 nan 0.000 0.537 341 V N 0.799 120.725 119.914 0.020 0.000 2.809 341 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 341 V C 2.190 178.298 176.094 0.023 0.000 1.080 341 V CA 2.377 64.697 62.300 0.033 0.000 1.102 341 V CB -0.379 31.473 31.823 0.049 0.000 0.705 341 V HN 0.491 nan 8.190 nan 0.000 0.475 342 K N 0.163 120.579 120.400 0.028 0.000 2.062 342 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 342 K C 2.285 178.860 176.600 -0.042 0.000 1.051 342 K CA 1.690 57.983 56.287 0.010 0.000 0.941 342 K CB -0.539 31.959 32.500 -0.004 0.000 0.719 342 K HN 0.318 nan 8.250 nan 0.000 0.440 343 T N 1.928 116.439 114.554 -0.072 0.000 2.684 343 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 343 T C 1.519 176.162 174.700 -0.095 0.000 1.036 343 T CA 1.313 63.351 62.100 -0.103 0.000 1.148 343 T CB -0.329 68.452 68.868 -0.144 0.000 0.863 343 T HN 0.199 nan 8.240 nan 0.000 0.436 344 L N 1.335 122.512 121.223 -0.076 0.000 2.010 344 L HA -0.137 4.203 4.340 -0.000 0.000 0.219 344 L C 2.439 179.276 176.870 -0.055 0.000 1.077 344 L CA 2.070 56.873 54.840 -0.062 0.000 0.773 344 L CB -1.359 40.685 42.059 -0.024 0.000 0.892 344 L HN 0.173 nan 8.230 nan 0.000 0.436 345 V N 0.228 120.117 119.914 -0.041 0.000 2.515 345 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 345 V C 2.571 178.635 176.094 -0.049 0.000 1.058 345 V CA 1.785 64.062 62.300 -0.039 0.000 1.064 345 V CB -0.307 31.499 31.823 -0.028 0.000 0.675 345 V HN 0.520 nan 8.190 nan 0.000 0.461 346 E N 0.014 120.180 120.200 -0.056 0.000 2.208 346 E HA -0.078 4.271 4.350 -0.000 0.000 0.193 346 E C 2.175 178.737 176.600 -0.062 0.000 0.988 346 E CA 1.017 57.383 56.400 -0.058 0.000 0.828 346 E CB -0.244 29.417 29.700 -0.065 0.000 0.763 346 E HN 0.606 nan 8.360 nan 0.000 0.478 347 A N 0.514 123.287 122.820 -0.078 0.000 2.066 347 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 347 A C 1.933 179.482 177.584 -0.058 0.000 1.157 347 A CA 0.683 52.665 52.037 -0.092 0.000 0.670 347 A CB -0.215 18.707 19.000 -0.130 0.000 0.804 347 A HN 0.085 nan 8.150 nan 0.000 0.453 348 I N -0.470 120.076 120.570 -0.039 0.000 2.201 348 I HA -0.121 4.049 4.170 -0.000 0.000 0.233 348 I C 2.139 178.274 176.117 0.029 0.000 1.067 348 I CA 0.548 61.846 61.300 -0.004 0.000 1.354 348 I CB -0.320 37.672 38.000 -0.014 0.000 1.108 348 I HN 0.162 nan 8.210 nan 0.000 0.411 349 I N 0.984 121.545 120.570 -0.015 0.000 2.188 349 I HA -0.394 3.776 4.170 -0.000 0.000 0.246 349 I C 2.475 178.624 176.117 0.054 0.000 1.033 349 I CA 2.097 63.385 61.300 -0.019 0.000 1.307 349 I CB -0.823 37.145 38.000 -0.053 0.000 1.005 349 I HN 0.313 nan 8.210 nan 0.000 0.421 350 L N -0.629 120.610 121.223 0.026 0.000 2.044 350 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 350 L C 2.671 179.567 176.870 0.042 0.000 1.075 350 L CA 0.958 55.814 54.840 0.027 0.000 0.747 350 L CB -0.743 41.308 42.059 -0.014 0.000 0.903 350 L HN 0.087 nan 8.230 nan 0.000 0.435 351 V N 0.121 120.052 119.914 0.028 0.000 2.255 351 V HA -0.356 3.764 4.120 -0.000 0.000 0.247 351 V C 2.349 178.474 176.094 0.051 0.000 1.051 351 V CA 2.081 64.389 62.300 0.014 0.000 1.018 351 V CB -0.658 31.164 31.823 -0.002 0.000 0.641 351 V HN 0.289 nan 8.190 nan 0.000 0.445 352 F N 0.101 120.022 119.950 -0.049 0.000 2.106 352 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 352 F C 2.055 177.851 175.800 -0.008 0.000 1.082 352 F CA 1.906 59.876 58.000 -0.050 0.000 1.244 352 F CB -0.179 38.780 39.000 -0.069 0.000 0.997 352 F HN 0.060 nan 8.300 nan 0.000 0.486 353 L N -1.193 120.139 121.223 0.182 0.000 2.027 353 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 353 L C 2.376 179.302 176.870 0.094 0.000 1.074 353 L CA 1.116 56.047 54.840 0.152 0.000 0.745 353 L CB -1.186 40.964 42.059 0.151 0.000 0.898 353 L HN -0.028 nan 8.230 nan 0.000 0.433 354 V N -0.256 119.672 119.914 0.023 0.000 2.380 354 V HA -0.323 3.796 4.120 -0.000 0.000 0.251 354 V C 2.488 178.531 176.094 -0.084 0.000 1.063 354 V CA 1.870 64.135 62.300 -0.058 0.000 1.055 354 V CB -0.492 31.234 31.823 -0.162 0.000 0.657 354 V HN 0.350 nan 8.190 nan 0.000 0.455 355 M N -1.770 117.779 119.600 -0.085 0.000 2.254 355 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 355 M C 1.995 178.308 176.300 0.022 0.000 1.066 355 M CA 1.641 56.892 55.300 -0.082 0.000 1.123 355 M CB -0.550 31.947 32.600 -0.171 0.000 1.388 355 M HN 0.394 nan 8.290 nan 0.000 0.425 356 Y N -0.318 119.895 120.300 -0.145 0.000 2.206 356 Y HA -0.083 4.467 4.550 -0.000 0.000 0.292 356 Y C 1.958 177.887 175.900 0.047 0.000 1.123 356 Y CA 1.264 59.320 58.100 -0.074 0.000 1.142 356 Y CB -0.260 38.141 38.460 -0.099 0.000 1.006 356 Y HN 0.015 nan 8.280 nan 0.000 0.518 357 L N -1.137 120.199 121.223 0.187 0.000 2.051 357 L HA -0.310 4.030 4.340 -0.000 0.000 0.214 357 L C 2.073 179.018 176.870 0.126 0.000 1.076 357 L CA 2.082 57.043 54.840 0.202 0.000 0.758 357 L CB -1.040 41.206 42.059 0.311 0.000 0.890 357 L HN 0.250 nan 8.230 nan 0.000 0.433 358 F N -0.817 119.072 119.950 -0.101 0.000 2.374 358 F HA 0.127 4.654 4.527 -0.000 0.000 0.291 358 F C 1.092 176.892 175.800 0.000 0.000 1.084 358 F CA 0.101 58.040 58.000 -0.101 0.000 1.413 358 F CB 0.067 39.036 39.000 -0.052 0.000 1.099 358 F HN -0.142 nan 8.300 nan 0.000 0.534 359 L N 1.514 122.856 121.223 0.200 0.000 2.342 359 L HA 0.331 4.671 4.340 -0.000 0.000 0.276 359 L C 1.061 177.953 176.870 0.037 0.000 0.997 359 L CA -0.477 54.476 54.840 0.188 0.000 0.838 359 L CB 1.499 43.645 42.059 0.146 0.000 1.224 359 L HN 0.088 nan 8.230 nan 0.000 0.416 360 Q N 1.685 121.523 119.800 0.062 0.000 2.437 360 Q HA -0.023 4.316 4.340 -0.000 0.000 0.210 360 Q C -0.162 175.795 176.000 -0.071 0.000 0.972 360 Q CA 0.646 56.297 55.803 -0.254 0.000 0.903 360 Q CB -0.054 28.665 28.738 -0.032 0.000 0.967 360 Q HN 0.671 nan 8.270 nan 0.000 0.486 361 N N 1.235 119.984 118.700 0.082 0.000 2.440 361 N HA -0.039 4.701 4.740 -0.000 0.000 0.265 361 N C -0.006 175.671 175.510 0.279 0.000 1.239 361 N CA -0.096 53.056 53.050 0.170 0.000 0.909 361 N CB 0.346 38.904 38.487 0.119 0.000 1.066 361 N HN 0.164 nan 8.380 nan 0.000 0.474 362 F N 5.185 125.278 119.950 0.237 0.000 2.031 362 F HA -0.175 4.352 4.527 -0.000 0.000 0.295 362 F C 2.548 178.415 175.800 0.113 0.000 1.133 362 F CA 1.350 59.486 58.000 0.226 0.000 1.188 362 F CB 0.035 39.143 39.000 0.179 0.000 0.974 362 F HN 0.472 nan 8.300 nan 0.000 0.473 363 R N 1.303 121.960 120.500 0.262 0.000 2.174 363 R HA -0.223 4.117 4.340 -0.000 0.000 0.253 363 R C 2.070 178.375 176.300 0.009 0.000 1.165 363 R CA 1.471 57.645 56.100 0.123 0.000 0.984 363 R CB -2.137 28.269 30.300 0.177 0.000 0.873 363 R HN 0.444 nan 8.270 nan 0.000 0.456 364 A N 1.086 123.918 122.820 0.019 0.000 1.898 364 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 364 A C 1.765 179.294 177.584 -0.090 0.000 1.181 364 A CA 1.598 53.633 52.037 -0.003 0.000 0.620 364 A CB -0.600 18.423 19.000 0.038 0.000 0.819 364 A HN 0.380 nan 8.150 nan 0.000 0.442 365 T N 0.320 114.754 114.554 -0.201 0.000 4.219 365 T HA 0.451 4.801 4.350 -0.000 0.000 0.263 365 T C 0.458 174.863 174.700 -0.493 0.000 1.217 365 T CA 0.428 62.265 62.100 -0.437 0.000 1.145 365 T CB -0.728 67.725 68.868 -0.691 0.000 1.298 365 T HN 0.369 nan 8.240 nan 0.000 0.999 366 L N 2.250 123.347 121.223 -0.210 0.000 1.381 366 L HA 0.139 4.479 4.340 -0.000 0.000 0.129 366 L C 1.599 178.470 176.870 0.001 0.000 1.359 366 L CA 0.277 55.072 54.840 -0.075 0.000 1.203 366 L CB -0.617 41.394 42.059 -0.081 0.000 2.498 366 L HN 0.369 nan 8.230 nan 0.000 0.478 367 I N 2.422 122.997 120.570 0.008 0.000 2.163 367 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 367 I C -0.805 175.320 176.117 0.014 0.000 1.085 367 I CA 1.876 63.199 61.300 0.038 0.000 1.347 367 I CB -1.345 36.684 38.000 0.049 0.000 1.044 367 I HN 0.291 nan 8.210 nan 0.000 0.408 368 P HA -0.052 nan 4.420 nan 0.000 0.222 368 P C 1.435 178.732 177.300 -0.006 0.000 1.153 368 P CA 1.267 64.360 63.100 -0.012 0.000 0.798 368 P CB -0.176 31.509 31.700 -0.025 0.000 0.796 369 T N -0.437 114.123 114.554 0.009 0.000 3.072 369 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 369 T C 1.463 176.172 174.700 0.016 0.000 1.127 369 T CA 0.878 63.002 62.100 0.041 0.000 1.107 369 T CB -0.615 68.331 68.868 0.131 0.000 0.910 369 T HN 0.192 nan 8.240 nan 0.000 0.513 370 I N -0.115 120.453 120.570 -0.003 0.000 3.854 370 I HA 0.305 4.475 4.170 -0.000 0.000 0.312 370 I C 2.374 178.450 176.117 -0.068 0.000 1.273 370 I CA 0.032 61.306 61.300 -0.044 0.000 1.298 370 I CB -0.203 37.760 38.000 -0.061 0.000 1.071 370 I HN 0.043 nan 8.210 nan 0.000 0.428 371 A N 1.272 124.066 122.820 -0.044 0.000 2.238 371 A HA 0.156 4.476 4.320 -0.000 0.000 0.208 371 A C 1.984 179.540 177.584 -0.047 0.000 1.177 371 A CA 1.141 53.150 52.037 -0.047 0.000 0.804 371 A CB -0.450 18.535 19.000 -0.026 0.000 0.823 371 A HN 0.375 nan 8.150 nan 0.000 0.482 372 V N -4.587 115.300 119.914 -0.046 0.000 3.250 372 V HA 0.157 4.277 4.120 -0.000 0.000 0.240 372 V C -0.769 175.290 176.094 -0.059 0.000 1.275 372 V CA 0.448 62.717 62.300 -0.051 0.000 1.206 372 V CB -0.826 30.970 31.823 -0.044 0.000 0.976 372 V HN 0.194 nan 8.190 nan 0.000 0.467 373 P HA -0.127 nan 4.420 nan 0.000 0.216 373 P C 1.974 179.243 177.300 -0.052 0.000 1.153 373 P CA 1.814 64.888 63.100 -0.043 0.000 0.858 373 P CB -0.034 31.644 31.700 -0.036 0.000 0.789 374 V N -0.009 119.862 119.914 -0.072 0.000 2.358 374 V HA -0.170 3.949 4.120 -0.000 0.000 0.246 374 V C 2.808 178.861 176.094 -0.070 0.000 1.047 374 V CA 1.592 63.845 62.300 -0.078 0.000 1.035 374 V CB -0.991 30.763 31.823 -0.116 0.000 0.658 374 V HN -0.061 nan 8.190 nan 0.000 0.452 375 V N -0.486 119.383 119.914 -0.076 0.000 2.427 375 V HA -0.236 3.883 4.120 -0.000 0.000 0.248 375 V C 2.326 178.348 176.094 -0.120 0.000 1.051 375 V CA 1.649 63.902 62.300 -0.079 0.000 1.048 375 V CB -0.552 31.230 31.823 -0.069 0.000 0.666 375 V HN 0.414 nan 8.190 nan 0.000 0.456 376 L N -0.499 120.634 121.223 -0.150 0.000 1.997 376 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 376 L C 2.386 179.017 176.870 -0.399 0.000 1.074 376 L CA 1.977 56.647 54.840 -0.284 0.000 0.763 376 L CB -0.495 41.441 42.059 -0.206 0.000 0.890 376 L HN 0.298 nan 8.230 nan 0.000 0.434 377 L N -1.509 119.636 121.223 -0.129 0.000 2.093 377 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 377 L C 2.639 179.543 176.870 0.056 0.000 1.085 377 L CA 1.185 56.073 54.840 0.080 0.000 0.755 377 L CB -1.369 40.763 42.059 0.121 0.000 0.904 377 L HN 0.361 nan 8.230 nan 0.000 0.435 378 G N -0.845 107.948 108.800 -0.013 0.000 2.432 378 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 378 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 378 G C 1.649 176.554 174.900 0.008 0.000 1.135 378 G CA 1.290 46.392 45.100 0.004 0.000 0.767 378 G HN 0.230 nan 8.290 nan 0.000 0.550 379 T N 0.068 114.584 114.554 -0.064 0.000 2.904 379 T HA 0.047 4.396 4.350 -0.000 0.000 0.267 379 T C 1.998 176.713 174.700 0.024 0.000 1.059 379 T CA 0.440 62.509 62.100 -0.053 0.000 1.137 379 T CB -0.277 68.503 68.868 -0.145 0.000 0.879 379 T HN 0.353 nan 8.240 nan 0.000 0.467 380 F N 1.208 121.191 119.950 0.055 0.000 2.161 380 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 380 F C 2.578 178.408 175.800 0.050 0.000 1.089 380 F CA 0.664 58.697 58.000 0.055 0.000 1.282 380 F CB -0.159 38.860 39.000 0.031 0.000 1.010 380 F HN 0.157 nan 8.300 nan 0.000 0.485 381 A N -0.620 122.328 122.820 0.214 0.000 2.119 381 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 381 A C 2.059 179.678 177.584 0.058 0.000 1.152 381 A CA 1.018 53.120 52.037 0.109 0.000 0.708 381 A CB -0.670 18.370 19.000 0.067 0.000 0.805 381 A HN 0.203 nan 8.150 nan 0.000 0.460 382 V N -0.127 119.846 119.914 0.097 0.000 2.599 382 V HA -0.086 4.033 4.120 -0.000 0.000 0.245 382 V C 2.339 178.556 176.094 0.205 0.000 1.046 382 V CA 1.203 63.557 62.300 0.091 0.000 1.065 382 V CB -0.551 31.381 31.823 0.182 0.000 0.703 382 V HN 0.561 nan 8.190 nan 0.000 0.464 383 L N 0.546 121.943 121.223 0.291 0.000 2.156 383 L HA -0.038 4.301 4.340 -0.000 0.000 0.208 383 L C 2.733 179.711 176.870 0.180 0.000 1.095 383 L CA 1.429 56.510 54.840 0.401 0.000 0.770 383 L CB -0.935 41.400 42.059 0.460 0.000 0.914 383 L HN 0.339 nan 8.230 nan 0.000 0.439 384 A N 0.532 123.425 122.820 0.121 0.000 1.930 384 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 384 A C 2.503 180.060 177.584 -0.044 0.000 1.175 384 A CA 1.606 53.666 52.037 0.038 0.000 0.627 384 A CB -0.530 18.493 19.000 0.038 0.000 0.815 384 A HN 0.379 nan 8.150 nan 0.000 0.443 385 A N -2.177 120.586 122.820 -0.096 0.000 2.119 385 A HA 0.219 4.539 4.320 -0.000 0.000 0.216 385 A C 1.776 179.177 177.584 -0.304 0.000 1.152 385 A CA 0.852 52.758 52.037 -0.219 0.000 0.708 385 A CB -0.511 18.302 19.000 -0.312 0.000 0.805 385 A HN 0.518 nan 8.150 nan 0.000 0.460 386 F N -1.944 117.876 119.950 -0.217 0.000 2.656 386 F HA 0.327 4.854 4.527 -0.000 0.000 0.291 386 F C 1.955 177.404 175.800 -0.585 0.000 1.122 386 F CA 0.718 58.485 58.000 -0.389 0.000 1.427 386 F CB 0.831 39.538 39.000 -0.488 0.000 1.125 386 F HN 0.395 nan 8.300 nan 0.000 0.583 387 G N -0.203 108.382 108.800 -0.358 0.000 2.545 387 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.195 387 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.195 387 G C 0.279 175.068 174.900 -0.186 0.000 1.009 387 G CA -0.577 44.354 45.100 -0.282 0.000 0.703 387 G HN 0.124 nan 8.290 nan 0.000 0.479 388 F N 2.562 122.570 119.950 0.096 0.000 2.472 388 F HA 0.558 5.085 4.527 -0.000 0.000 0.312 388 F C 1.291 177.130 175.800 0.065 0.000 1.256 388 F CA 0.165 58.204 58.000 0.065 0.000 1.275 388 F CB 0.636 39.675 39.000 0.065 0.000 1.228 388 F HN 0.302 nan 8.300 nan 0.000 0.567 389 S N -0.532 115.328 115.700 0.267 0.000 2.709 389 S HA 0.589 5.058 4.470 -0.000 0.000 0.302 389 S C -0.721 173.965 174.600 0.143 0.000 1.127 389 S CA -1.078 57.215 58.200 0.155 0.000 0.905 389 S CB 1.273 64.534 63.200 0.101 0.000 1.151 389 S HN 0.480 nan 8.310 nan 0.000 0.510 390 I N 2.858 123.484 120.570 0.093 0.000 2.573 390 I HA 0.079 4.249 4.170 -0.000 0.000 0.295 390 I C -0.075 176.067 176.117 0.042 0.000 1.141 390 I CA 0.025 61.372 61.300 0.078 0.000 1.364 390 I CB -0.998 37.014 38.000 0.020 0.000 1.447 390 I HN 0.448 nan 8.210 nan 0.000 0.571 391 N N 3.745 122.468 118.700 0.038 0.000 2.477 391 N HA 0.258 4.998 4.740 -0.000 0.000 0.284 391 N C 1.127 176.585 175.510 -0.088 0.000 1.182 391 N CA -0.485 52.550 53.050 -0.024 0.000 0.949 391 N CB 1.332 39.813 38.487 -0.011 0.000 1.204 391 N HN 0.290 nan 8.380 nan 0.000 0.526 392 T N 0.646 115.060 114.554 -0.234 0.000 2.759 392 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 392 T C 1.874 176.397 174.700 -0.296 0.000 1.042 392 T CA 1.032 62.910 62.100 -0.370 0.000 1.140 392 T CB -0.112 68.317 68.868 -0.732 0.000 0.864 392 T HN 0.309 nan 8.240 nan 0.000 0.455 393 L N 0.851 121.973 121.223 -0.167 0.000 2.023 393 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 393 L C 2.930 179.830 176.870 0.050 0.000 1.073 393 L CA 1.610 56.426 54.840 -0.039 0.000 0.745 393 L CB -0.560 41.481 42.059 -0.029 0.000 0.900 393 L HN 0.397 nan 8.230 nan 0.000 0.435 394 T N -3.694 110.876 114.554 0.027 0.000 3.072 394 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 394 T C 1.674 176.447 174.700 0.121 0.000 1.127 394 T CA 0.497 62.635 62.100 0.062 0.000 1.107 394 T CB 0.022 68.926 68.868 0.059 0.000 0.910 394 T HN 0.052 nan 8.240 nan 0.000 0.513 395 M N -0.037 119.645 119.600 0.137 0.000 2.394 395 M HA 0.391 4.871 4.480 -0.000 0.000 0.266 395 M C 1.668 178.125 176.300 0.262 0.000 1.098 395 M CA 0.200 55.610 55.300 0.182 0.000 1.149 395 M CB -1.098 31.590 32.600 0.147 0.000 1.369 395 M HN 0.338 nan 8.290 nan 0.000 0.450 396 F N -0.140 119.814 119.950 0.007 0.000 2.451 396 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 396 F C 2.120 177.938 175.800 0.030 0.000 1.101 396 F CA 0.484 58.489 58.000 0.008 0.000 1.436 396 F CB -0.055 38.974 39.000 0.048 0.000 1.074 396 F HN 0.246 nan 8.300 nan 0.000 0.553 397 G N -0.788 108.134 108.800 0.203 0.000 2.777 397 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.211 397 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.211 397 G C 1.423 176.362 174.900 0.065 0.000 1.149 397 G CA 0.076 45.254 45.100 0.130 0.000 0.785 397 G HN 0.105 nan 8.290 nan 0.000 0.536 398 M N 0.650 120.272 119.600 0.037 0.000 2.541 398 M HA 0.164 4.643 4.480 -0.000 0.000 0.252 398 M C 2.104 178.372 176.300 -0.054 0.000 1.125 398 M CA 0.501 55.780 55.300 -0.035 0.000 1.091 398 M CB -0.062 32.510 32.600 -0.046 0.000 1.420 398 M HN 0.105 nan 8.290 nan 0.000 0.486 399 V N -0.318 119.559 119.914 -0.062 0.000 2.521 399 V HA -0.067 4.052 4.120 -0.000 0.000 0.239 399 V C 2.238 178.243 176.094 -0.148 0.000 1.053 399 V CA 0.544 62.759 62.300 -0.142 0.000 1.073 399 V CB -0.817 30.858 31.823 -0.248 0.000 0.746 399 V HN 0.266 nan 8.190 nan 0.000 0.476 400 L N 1.272 122.443 121.223 -0.087 0.000 2.187 400 L HA -0.073 4.267 4.340 -0.000 0.000 0.213 400 L C 2.372 179.271 176.870 0.049 0.000 1.100 400 L CA 2.055 56.894 54.840 -0.002 0.000 0.765 400 L CB -0.861 41.258 42.059 0.100 0.000 0.904 400 L HN 0.258 nan 8.230 nan 0.000 0.437 401 A N -0.116 122.718 122.820 0.023 0.000 1.845 401 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 401 A C 2.221 179.794 177.584 -0.019 0.000 1.195 401 A CA 2.033 54.078 52.037 0.013 0.000 0.616 401 A CB -0.935 18.054 19.000 -0.019 0.000 0.832 401 A HN 0.400 nan 8.150 nan 0.000 0.443 402 I N 0.076 120.603 120.570 -0.071 0.000 2.161 402 I HA -0.392 3.778 4.170 -0.000 0.000 0.246 402 I C 2.602 178.678 176.117 -0.068 0.000 1.048 402 I CA 1.633 62.880 61.300 -0.089 0.000 1.314 402 I CB -0.650 37.272 38.000 -0.131 0.000 1.014 402 I HN 0.441 nan 8.210 nan 0.000 0.418 403 G N 0.274 109.012 108.800 -0.104 0.000 2.545 403 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 403 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 403 G C 1.116 176.170 174.900 0.256 0.000 1.218 403 G CA 0.307 45.451 45.100 0.074 0.000 0.787 403 G HN 0.329 nan 8.290 nan 0.000 0.571 404 L N 1.063 122.418 121.223 0.220 0.000 2.511 404 L HA 0.425 4.765 4.340 -0.000 0.000 0.239 404 L C 0.519 177.399 176.870 0.017 0.000 1.400 404 L CA -0.112 54.781 54.840 0.088 0.000 1.226 404 L CB -0.153 41.924 42.059 0.031 0.000 1.475 404 L HN 0.312 nan 8.230 nan 0.000 0.428 405 L N -0.813 120.421 121.223 0.018 0.000 1.465 405 L HA -0.023 4.316 4.340 -0.000 0.000 0.144 405 L C 1.545 178.409 176.870 -0.009 0.000 1.333 405 L CA 0.219 55.053 54.840 -0.011 0.000 1.203 405 L CB -0.033 42.011 42.059 -0.025 0.000 2.504 405 L HN 0.094 nan 8.230 nan 0.000 0.485 406 V N -1.179 118.734 119.914 -0.001 0.000 2.667 406 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 406 V C 1.871 177.967 176.094 0.003 0.000 1.065 406 V CA 2.014 64.311 62.300 -0.005 0.000 1.083 406 V CB -0.747 31.069 31.823 -0.012 0.000 0.692 406 V HN 0.555 nan 8.190 nan 0.000 0.468 407 D N 1.160 121.575 120.400 0.025 0.000 2.106 407 D HA -0.304 4.336 4.640 -0.000 0.000 0.191 407 D C 1.920 178.221 176.300 0.002 0.000 0.997 407 D CA 2.050 56.060 54.000 0.017 0.000 0.834 407 D CB -0.317 40.499 40.800 0.027 0.000 0.956 407 D HN 0.394 nan 8.370 nan 0.000 0.448 408 D N -1.100 119.299 120.400 -0.003 0.000 2.224 408 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 408 D C 1.843 178.143 176.300 -0.001 0.000 0.965 408 D CA 0.958 54.953 54.000 -0.007 0.000 0.852 408 D CB -0.040 40.749 40.800 -0.017 0.000 0.947 408 D HN 0.349 nan 8.370 nan 0.000 0.494 409 A N 0.080 122.898 122.820 -0.003 0.000 2.016 409 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 409 A C 2.265 179.851 177.584 0.005 0.000 1.162 409 A CA 0.290 52.327 52.037 -0.000 0.000 0.662 409 A CB -0.253 18.742 19.000 -0.008 0.000 0.812 409 A HN 0.195 nan 8.150 nan 0.000 0.450 410 I N -0.276 120.294 120.570 0.001 0.000 2.333 410 I HA -0.165 4.005 4.170 -0.000 0.000 0.246 410 I C 2.256 178.386 176.117 0.023 0.000 1.106 410 I CA 0.823 62.122 61.300 -0.001 0.000 1.411 410 I CB -0.069 37.918 38.000 -0.022 0.000 1.082 410 I HN 0.200 nan 8.210 nan 0.000 0.420 411 V N 0.629 120.564 119.914 0.035 0.000 2.214 411 V HA -0.274 3.846 4.120 -0.000 0.000 0.244 411 V C 2.524 178.665 176.094 0.078 0.000 1.045 411 V CA 2.098 64.441 62.300 0.071 0.000 0.993 411 V CB -1.457 30.412 31.823 0.077 0.000 0.633 411 V HN 0.339 nan 8.190 nan 0.000 0.449 412 V N -0.319 119.632 119.914 0.061 0.000 2.277 412 V HA -0.306 3.814 4.120 -0.000 0.000 0.255 412 V C 2.275 178.404 176.094 0.058 0.000 1.074 412 V CA 2.490 64.825 62.300 0.059 0.000 1.058 412 V CB -1.512 30.336 31.823 0.042 0.000 0.656 412 V HN 0.332 nan 8.190 nan 0.000 0.449 413 V N 1.974 121.916 119.914 0.047 0.000 2.244 413 V HA -0.237 3.883 4.120 -0.000 0.000 0.244 413 V C 2.759 178.883 176.094 0.050 0.000 1.042 413 V CA 2.458 64.784 62.300 0.044 0.000 1.006 413 V CB -0.863 30.979 31.823 0.030 0.000 0.641 413 V HN 0.865 nan 8.190 nan 0.000 0.446 414 E N 0.434 120.665 120.200 0.051 0.000 2.347 414 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 414 E C 1.637 178.272 176.600 0.060 0.000 1.008 414 E CA 1.590 58.025 56.400 0.059 0.000 0.852 414 E CB -0.679 29.057 29.700 0.060 0.000 0.783 414 E HN 0.610 nan 8.360 nan 0.000 0.505 415 N N -0.238 118.503 118.700 0.068 0.000 2.409 415 N HA -0.053 4.686 4.740 -0.000 0.000 0.179 415 N C 1.213 176.759 175.510 0.060 0.000 1.032 415 N CA 0.982 54.075 53.050 0.071 0.000 0.898 415 N CB 0.255 38.824 38.487 0.137 0.000 0.971 415 N HN 0.121 nan 8.380 nan 0.000 0.441 416 V N 0.146 120.095 119.914 0.059 0.000 2.307 416 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 416 V C 2.033 178.154 176.094 0.046 0.000 1.045 416 V CA 1.513 63.843 62.300 0.049 0.000 1.024 416 V CB -0.623 31.228 31.823 0.047 0.000 0.651 416 V HN 0.286 nan 8.190 nan 0.000 0.449 417 E N 0.608 120.840 120.200 0.052 0.000 2.209 417 E HA -0.255 4.094 4.350 -0.000 0.000 0.196 417 E C 2.310 178.945 176.600 0.058 0.000 0.993 417 E CA 1.544 57.979 56.400 0.058 0.000 0.819 417 E CB -0.162 29.583 29.700 0.075 0.000 0.745 417 E HN 0.709 nan 8.360 nan 0.000 0.477 418 R N -0.606 119.922 120.500 0.047 0.000 2.062 418 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 418 R C 2.014 178.333 176.300 0.031 0.000 1.128 418 R CA 1.489 57.612 56.100 0.039 0.000 0.960 418 R CB -0.673 29.630 30.300 0.004 0.000 0.855 418 R HN 0.052 nan 8.270 nan 0.000 0.432 419 V N 2.058 121.987 119.914 0.025 0.000 2.688 419 V HA -0.148 3.971 4.120 -0.000 0.000 0.256 419 V C 1.702 177.809 176.094 0.022 0.000 1.084 419 V CA 1.563 63.876 62.300 0.022 0.000 1.103 419 V CB -0.501 31.337 31.823 0.026 0.000 0.688 419 V HN 0.402 nan 8.190 nan 0.000 0.480 420 M N -0.388 119.227 119.600 0.026 0.000 3.533 420 M HA 0.503 4.982 4.480 -0.000 0.000 0.217 420 M C 0.584 176.894 176.300 0.017 0.000 1.269 420 M CA 0.616 55.928 55.300 0.020 0.000 1.435 420 M CB 0.130 32.744 32.600 0.022 0.000 1.105 420 M HN 0.311 nan 8.290 nan 0.000 0.555 421 A N -0.603 122.226 122.820 0.016 0.000 3.416 421 A HA -0.008 4.312 4.320 -0.000 0.000 0.198 421 A C 1.372 178.965 177.584 0.015 0.000 1.377 421 A CA -0.128 51.917 52.037 0.013 0.000 1.281 421 A CB -0.286 18.734 19.000 0.033 0.000 0.987 421 A HN 0.384 nan 8.150 nan 0.000 0.424 422 E N 0.954 121.170 120.200 0.027 0.000 2.160 422 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 422 E C 0.558 177.165 176.600 0.011 0.000 0.991 422 E CA 1.606 58.019 56.400 0.022 0.000 0.810 422 E CB 0.081 29.793 29.700 0.020 0.000 0.742 422 E HN 0.693 nan 8.360 nan 0.000 0.466 423 E N -1.492 118.714 120.200 0.009 0.000 3.521 423 E HA 0.178 4.528 4.350 -0.000 0.000 0.183 423 E C -0.105 176.496 176.600 0.002 0.000 0.981 423 E CA 0.087 56.490 56.400 0.005 0.000 1.349 423 E CB 0.287 29.991 29.700 0.006 0.000 1.102 423 E HN 0.164 nan 8.360 nan 0.000 0.449 424 G N 2.290 111.089 108.800 -0.001 0.000 2.246 424 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.227 424 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.227 424 G C -0.063 174.836 174.900 -0.002 0.000 0.404 424 G CA 0.516 45.614 45.100 -0.004 0.000 1.034 424 G HN 0.398 nan 8.290 nan 0.000 0.425 425 L N 3.983 125.207 121.223 0.003 0.000 2.740 425 L HA 0.124 4.464 4.340 -0.000 0.000 0.250 425 L C -1.837 175.038 176.870 0.008 0.000 0.997 425 L CA -1.232 53.611 54.840 0.004 0.000 0.968 425 L CB 2.173 44.236 42.059 0.006 0.000 1.248 425 L HN 0.223 nan 8.230 nan 0.000 0.476 426 P HA -0.076 nan 4.420 nan 0.000 0.216 426 P C -1.862 175.444 177.300 0.010 0.000 1.150 426 P CA 0.765 63.871 63.100 0.010 0.000 0.843 426 P CB -0.727 30.977 31.700 0.006 0.000 0.787 427 P HA -0.048 nan 4.420 nan 0.000 0.273 427 P C 0.817 178.120 177.300 0.006 0.000 1.258 427 P CA 0.261 63.363 63.100 0.004 0.000 0.802 427 P CB 0.708 32.409 31.700 0.001 0.000 1.040 428 K N 0.024 120.425 120.400 0.001 0.000 2.103 428 K HA -0.184 4.135 4.320 -0.000 0.000 0.207 428 K C 1.730 178.332 176.600 0.005 0.000 1.048 428 K CA 1.825 58.112 56.287 0.000 0.000 0.930 428 K CB -0.197 32.297 32.500 -0.009 0.000 0.716 428 K HN 0.434 nan 8.250 nan 0.000 0.444 429 E N 0.114 120.316 120.200 0.004 0.000 2.482 429 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 429 E C 1.519 178.127 176.600 0.012 0.000 1.047 429 E CA 0.506 56.909 56.400 0.006 0.000 0.869 429 E CB 0.134 29.836 29.700 0.004 0.000 0.836 429 E HN 0.306 nan 8.360 nan 0.000 0.520 430 A N 0.232 123.061 122.820 0.014 0.000 1.840 430 A HA -0.143 4.176 4.320 -0.000 0.000 0.214 430 A C 2.268 179.868 177.584 0.027 0.000 1.198 430 A CA 1.740 53.789 52.037 0.020 0.000 0.608 430 A CB -1.020 17.992 19.000 0.020 0.000 0.839 430 A HN 0.295 nan 8.150 nan 0.000 0.443 431 T N -0.267 114.302 114.554 0.026 0.000 2.680 431 T HA -0.286 4.063 4.350 -0.000 0.000 0.268 431 T C 1.979 176.696 174.700 0.029 0.000 1.033 431 T CA 1.942 64.060 62.100 0.030 0.000 1.152 431 T CB -0.298 68.586 68.868 0.026 0.000 0.859 431 T HN 0.528 nan 8.240 nan 0.000 0.452 432 R N 1.056 121.569 120.500 0.021 0.000 2.057 432 R HA 0.054 4.394 4.340 -0.000 0.000 0.229 432 R C 1.679 177.992 176.300 0.022 0.000 1.136 432 R CA 1.129 57.240 56.100 0.018 0.000 0.952 432 R CB -0.003 30.303 30.300 0.011 0.000 0.848 432 R HN 0.098 nan 8.270 nan 0.000 0.430 433 K N -0.100 120.314 120.400 0.024 0.000 2.437 433 K HA 0.081 4.401 4.320 -0.000 0.000 0.198 433 K C 1.276 177.901 176.600 0.043 0.000 1.024 433 K CA 0.471 56.775 56.287 0.028 0.000 1.148 433 K CB 0.710 33.224 32.500 0.022 0.000 0.860 433 K HN 0.276 nan 8.250 nan 0.000 0.515 434 S N -0.014 115.716 115.700 0.049 0.000 2.404 434 S HA -0.050 4.420 4.470 -0.000 0.000 0.223 434 S C 1.627 176.277 174.600 0.084 0.000 1.040 434 S CA 0.245 58.489 58.200 0.073 0.000 0.957 434 S CB -0.196 63.045 63.200 0.068 0.000 0.826 434 S HN 0.297 nan 8.310 nan 0.000 0.491 435 M N 1.264 120.897 119.600 0.055 0.000 2.633 435 M HA 0.362 4.842 4.480 -0.000 0.000 0.226 435 M C 1.737 178.049 176.300 0.019 0.000 1.137 435 M CA 0.592 55.914 55.300 0.036 0.000 1.020 435 M CB -0.866 31.748 32.600 0.024 0.000 1.675 435 M HN 0.378 nan 8.290 nan 0.000 0.500 436 G N 0.982 109.799 108.800 0.028 0.000 2.394 436 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 436 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 436 G C 1.669 176.580 174.900 0.017 0.000 1.165 436 G CA 0.289 45.399 45.100 0.017 0.000 0.784 436 G HN 0.451 nan 8.290 nan 0.000 0.535 437 Q N -0.336 119.502 119.800 0.062 0.000 2.269 437 Q HA 0.159 4.499 4.340 -0.000 0.000 0.201 437 Q C 2.491 178.469 176.000 -0.036 0.000 0.946 437 Q CA 0.556 56.413 55.803 0.090 0.000 0.877 437 Q CB 0.304 29.225 28.738 0.305 0.000 0.963 437 Q HN 0.577 nan 8.270 nan 0.000 0.472 438 I N 0.012 120.576 120.570 -0.010 0.000 2.729 438 I HA -0.124 4.046 4.170 -0.000 0.000 0.256 438 I C 2.543 178.603 176.117 -0.094 0.000 1.115 438 I CA 0.276 61.530 61.300 -0.077 0.000 1.446 438 I CB -0.273 37.747 38.000 0.033 0.000 1.176 438 I HN 0.051 nan 8.210 nan 0.000 0.446 439 Q N 1.849 121.617 119.800 -0.054 0.000 2.173 439 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 439 Q C 2.099 178.047 176.000 -0.086 0.000 0.989 439 Q CA 2.352 58.122 55.803 -0.054 0.000 0.872 439 Q CB -0.431 28.286 28.738 -0.034 0.000 0.909 439 Q HN 0.569 nan 8.270 nan 0.000 0.420 440 G N 0.390 109.119 108.800 -0.118 0.000 2.446 440 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.217 440 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.217 440 G C 1.527 176.313 174.900 -0.191 0.000 1.168 440 G CA 1.534 46.534 45.100 -0.167 0.000 0.771 440 G HN 0.547 nan 8.290 nan 0.000 0.551 441 A N 0.359 123.064 122.820 -0.191 0.000 1.898 441 A HA 0.163 4.482 4.320 -0.000 0.000 0.216 441 A C 2.438 179.977 177.584 -0.074 0.000 1.181 441 A CA 1.181 53.137 52.037 -0.135 0.000 0.620 441 A CB -0.419 18.472 19.000 -0.182 0.000 0.819 441 A HN 0.344 nan 8.150 nan 0.000 0.442 442 L N -0.307 120.869 121.223 -0.079 0.000 2.081 442 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 442 L C 1.635 178.483 176.870 -0.036 0.000 1.080 442 L CA 1.121 55.931 54.840 -0.050 0.000 0.754 442 L CB -0.176 41.859 42.059 -0.041 0.000 0.893 442 L HN 0.275 nan 8.230 nan 0.000 0.433 443 V N -1.224 118.667 119.914 -0.039 0.000 3.421 443 V HA 0.168 4.288 4.120 -0.000 0.000 0.316 443 V C 1.600 177.686 176.094 -0.013 0.000 1.347 443 V CA 0.837 63.122 62.300 -0.026 0.000 1.183 443 V CB 0.010 31.815 31.823 -0.029 0.000 1.092 443 V HN 0.460 nan 8.190 nan 0.000 0.433 444 G N 1.162 109.963 108.800 0.003 0.000 2.828 444 G HA2 0.030 3.990 3.960 -0.000 0.000 0.201 444 G HA3 0.030 3.990 3.960 -0.000 0.000 0.201 444 G C 1.329 176.252 174.900 0.038 0.000 1.102 444 G CA 0.677 45.811 45.100 0.056 0.000 0.815 444 G HN 0.541 nan 8.290 nan 0.000 0.590 445 I N 0.733 121.314 120.570 0.018 0.000 2.248 445 I HA -0.014 4.156 4.170 -0.000 0.000 0.248 445 I C 2.788 178.882 176.117 -0.037 0.000 1.107 445 I CA 1.741 63.029 61.300 -0.019 0.000 1.373 445 I CB -0.607 37.373 38.000 -0.032 0.000 1.055 445 I HN 0.110 nan 8.210 nan 0.000 0.418 446 A N 0.879 123.681 122.820 -0.030 0.000 1.908 446 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 446 A C 2.436 180.003 177.584 -0.028 0.000 1.181 446 A CA 2.329 54.346 52.037 -0.034 0.000 0.627 446 A CB -0.716 18.270 19.000 -0.022 0.000 0.818 446 A HN 0.584 nan 8.150 nan 0.000 0.445 447 M N -0.099 119.494 119.600 -0.011 0.000 2.561 447 M HA 0.013 4.493 4.480 -0.000 0.000 0.238 447 M C 1.323 177.621 176.300 -0.002 0.000 1.131 447 M CA 0.850 56.149 55.300 -0.001 0.000 1.046 447 M CB 0.215 32.822 32.600 0.011 0.000 1.532 447 M HN 0.461 nan 8.290 nan 0.000 0.497 448 V N -4.813 115.091 119.914 -0.017 0.000 3.371 448 V HA 0.054 4.174 4.120 -0.000 0.000 0.246 448 V C 1.680 177.754 176.094 -0.033 0.000 1.303 448 V CA -0.157 62.133 62.300 -0.017 0.000 1.156 448 V CB -0.378 31.429 31.823 -0.026 0.000 0.929 448 V HN 0.205 nan 8.190 nan 0.000 0.459 449 L N 2.712 123.890 121.223 -0.074 0.000 2.187 449 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 449 L C 2.887 179.665 176.870 -0.154 0.000 1.100 449 L CA 2.617 57.364 54.840 -0.155 0.000 0.765 449 L CB -0.870 41.064 42.059 -0.209 0.000 0.904 449 L HN 0.794 nan 8.230 nan 0.000 0.437 450 S N -0.005 115.650 115.700 -0.075 0.000 2.359 450 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 450 S C 1.672 176.288 174.600 0.028 0.000 1.039 450 S CA 1.294 59.479 58.200 -0.026 0.000 1.042 450 S CB -0.472 62.725 63.200 -0.006 0.000 0.915 450 S HN 0.398 nan 8.310 nan 0.000 0.439 451 A N 0.708 123.548 122.820 0.034 0.000 2.500 451 A HA 0.610 4.930 4.320 -0.000 0.000 0.267 451 A C 1.760 179.395 177.584 0.084 0.000 1.290 451 A CA 0.254 52.322 52.037 0.052 0.000 0.928 451 A CB -0.224 18.804 19.000 0.046 0.000 1.066 451 A HN 0.797 nan 8.150 nan 0.000 0.516 452 V N -4.188 115.802 119.914 0.127 0.000 2.591 452 V HA 0.019 4.139 4.120 -0.000 0.000 0.249 452 V C 1.870 178.124 176.094 0.266 0.000 1.053 452 V CA 1.288 63.708 62.300 0.200 0.000 1.068 452 V CB -1.018 30.950 31.823 0.241 0.000 0.689 452 V HN 0.325 nan 8.190 nan 0.000 0.462 453 F N 0.752 120.675 119.950 -0.045 0.000 2.298 453 F HA 0.251 4.777 4.527 -0.000 0.000 0.282 453 F C 2.338 178.067 175.800 -0.119 0.000 1.045 453 F CA 1.121 59.082 58.000 -0.066 0.000 1.280 453 F CB -0.450 38.522 39.000 -0.047 0.000 1.114 453 F HN -0.086 nan 8.300 nan 0.000 0.546 454 V N 1.494 121.425 119.914 0.028 0.000 2.379 454 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 454 V C -0.581 175.228 176.094 -0.475 0.000 1.044 454 V CA 1.484 63.663 62.300 -0.202 0.000 1.036 454 V CB -2.164 29.533 31.823 -0.210 0.000 0.664 454 V HN 0.125 nan 8.190 nan 0.000 0.453 455 P HA -0.278 nan 4.420 nan 0.000 0.217 455 P C 1.921 179.152 177.300 -0.115 0.000 1.158 455 P CA 1.934 64.931 63.100 -0.172 0.000 0.887 455 P CB -0.208 31.498 31.700 0.010 0.000 0.792 456 M N -0.760 118.747 119.600 -0.154 0.000 2.296 456 M HA -0.020 4.460 4.480 -0.000 0.000 0.265 456 M C 1.175 177.428 176.300 -0.078 0.000 1.064 456 M CA 1.377 56.564 55.300 -0.188 0.000 1.109 456 M CB -0.308 32.092 32.600 -0.334 0.000 1.396 456 M HN -0.181 nan 8.290 nan 0.000 0.430 457 A N -0.404 122.346 122.820 -0.117 0.000 2.840 457 A HA 0.148 4.468 4.320 -0.000 0.000 0.269 457 A C 0.168 177.813 177.584 0.102 0.000 1.439 457 A CA -0.213 51.832 52.037 0.013 0.000 1.083 457 A CB -1.006 17.949 19.000 -0.075 0.000 1.019 457 A HN 0.483 nan 8.150 nan 0.000 0.607 458 F N -0.105 119.901 119.950 0.092 0.000 2.653 458 F HA 0.307 4.834 4.527 -0.000 0.000 0.304 458 F C 0.314 175.743 175.800 -0.618 0.000 1.092 458 F CA -1.773 56.047 58.000 -0.300 0.000 1.279 458 F CB -0.810 38.046 39.000 -0.239 0.000 1.044 458 F HN 0.365 nan 8.300 nan 0.000 0.564 459 F N -0.868 119.173 119.950 0.151 0.000 1.385 459 F HA 0.108 4.635 4.527 -0.000 0.000 0.072 459 F C 0.407 176.241 175.800 0.056 0.000 0.145 459 F CA -0.596 57.456 58.000 0.087 0.000 0.295 459 F CB -1.247 37.787 39.000 0.056 0.000 0.716 459 F HN 0.126 nan 8.300 nan 0.000 0.663 460 G N 0.930 109.845 108.800 0.192 0.000 2.460 460 G HA2 0.768 4.728 3.960 -0.000 0.000 0.299 460 G HA3 0.768 4.728 3.960 -0.000 0.000 0.299 460 G C -0.004 174.905 174.900 0.014 0.000 1.592 460 G CA 0.650 45.782 45.100 0.054 0.000 1.008 460 G HN 2.724 nan 8.290 nan 0.000 0.513 461 G N 1.244 110.068 108.800 0.040 0.000 2.542 461 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.235 461 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.235 461 G C 1.375 176.281 174.900 0.011 0.000 1.286 461 G CA 0.432 45.535 45.100 0.006 0.000 0.904 461 G HN 1.374 nan 8.290 nan 0.000 0.577 462 S N -0.332 115.360 115.700 -0.014 0.000 2.423 462 S HA -0.074 4.395 4.470 -0.000 0.000 0.238 462 S C 1.788 176.377 174.600 -0.020 0.000 1.028 462 S CA 2.257 60.453 58.200 -0.007 0.000 1.000 462 S CB -0.385 62.809 63.200 -0.010 0.000 0.797 462 S HN 0.980 nan 8.310 nan 0.000 0.487 463 T N 1.418 115.919 114.554 -0.088 0.000 3.843 463 T HA 0.325 4.675 4.350 -0.000 0.000 0.227 463 T C 1.253 175.932 174.700 -0.035 0.000 1.043 463 T CA 0.156 62.199 62.100 -0.094 0.000 1.012 463 T CB 0.346 69.042 68.868 -0.286 0.000 1.279 463 T HN 0.412 nan 8.240 nan 0.000 0.730 464 G N 1.471 110.270 108.800 -0.002 0.000 2.473 464 G HA2 0.136 4.096 3.960 -0.000 0.000 0.212 464 G HA3 0.136 4.096 3.960 -0.000 0.000 0.212 464 G C 1.298 176.111 174.900 -0.145 0.000 1.211 464 G CA 0.288 45.392 45.100 0.007 0.000 0.813 464 G HN 0.601 nan 8.290 nan 0.000 0.541 465 A N -0.542 122.189 122.820 -0.148 0.000 2.412 465 A HA 0.516 4.836 4.320 -0.000 0.000 0.253 465 A C 1.506 178.996 177.584 -0.157 0.000 1.334 465 A CA 0.053 51.966 52.037 -0.206 0.000 0.929 465 A CB -0.190 18.727 19.000 -0.139 0.000 0.983 465 A HN 0.252 nan 8.150 nan 0.000 0.508 466 I N -2.200 118.291 120.570 -0.132 0.000 2.900 466 I HA 0.068 4.238 4.170 -0.000 0.000 0.251 466 I C 1.189 177.233 176.117 -0.120 0.000 1.102 466 I CA 0.908 62.114 61.300 -0.156 0.000 1.457 466 I CB -0.433 37.451 38.000 -0.193 0.000 1.285 466 I HN 0.456 nan 8.210 nan 0.000 0.459 467 Y N 0.698 120.975 120.300 -0.038 0.000 2.547 467 Y HA 0.202 4.752 4.550 -0.000 0.000 0.325 467 Y C 1.992 177.830 175.900 -0.103 0.000 1.165 467 Y CA -0.315 57.734 58.100 -0.085 0.000 1.300 467 Y CB 0.176 38.594 38.460 -0.070 0.000 1.126 467 Y HN 0.077 nan 8.280 nan 0.000 0.513 468 R N 0.388 120.872 120.500 -0.027 0.000 1.756 468 R HA 0.112 4.451 4.340 -0.000 0.000 0.130 468 R C 0.529 176.684 176.300 -0.243 0.000 2.102 468 R CA -0.104 55.911 56.100 -0.141 0.000 1.775 468 R CB 0.009 30.099 30.300 -0.349 0.000 1.379 468 R HN 0.278 nan 8.270 nan 0.000 0.484 472 I N 1.954 122.578 120.570 0.090 0.000 4.112 472 I HA -0.386 3.784 4.170 -0.000 0.000 0.120 472 I C 1.658 177.826 176.117 0.084 0.000 0.602 472 I CA 3.817 65.144 61.300 0.045 0.000 1.025 472 I CB -1.813 36.154 38.000 -0.055 0.000 0.894 472 I HN 0.833 nan 8.210 nan 0.000 0.219 473 T N 1.735 116.306 114.554 0.027 0.000 2.653 473 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 473 T C 1.669 176.426 174.700 0.096 0.000 1.035 473 T CA 2.903 65.043 62.100 0.066 0.000 1.154 473 T CB -0.705 68.173 68.868 0.017 0.000 0.862 473 T HN 0.739 nan 8.240 nan 0.000 0.441 474 I N -0.228 120.443 120.570 0.169 0.000 3.578 474 I HA 0.148 4.317 4.170 -0.000 0.000 0.295 474 I C 1.972 178.134 176.117 0.075 0.000 1.280 474 I CA 0.153 61.577 61.300 0.205 0.000 1.347 474 I CB -0.235 37.949 38.000 0.307 0.000 1.051 474 I HN 0.006 nan 8.210 nan 0.000 0.460 475 V N 1.087 121.069 119.914 0.113 0.000 2.575 475 V HA -0.154 3.966 4.120 -0.000 0.000 0.242 475 V C 2.757 178.868 176.094 0.028 0.000 1.045 475 V CA 1.820 64.132 62.300 0.020 0.000 1.065 475 V CB 0.168 32.034 31.823 0.072 0.000 0.717 475 V HN 0.630 nan 8.190 nan 0.000 0.467 476 S N 1.578 117.325 115.700 0.078 0.000 2.374 476 S HA -0.243 4.227 4.470 -0.000 0.000 0.227 476 S C 2.086 176.705 174.600 0.031 0.000 1.037 476 S CA 1.686 59.938 58.200 0.087 0.000 1.024 476 S CB -0.693 62.593 63.200 0.143 0.000 0.861 476 S HN 0.578 nan 8.310 nan 0.000 0.456 477 A N 2.820 125.646 122.820 0.010 0.000 1.933 477 A HA 0.027 4.346 4.320 -0.000 0.000 0.218 477 A C 2.405 179.963 177.584 -0.043 0.000 1.175 477 A CA 1.792 53.812 52.037 -0.028 0.000 0.628 477 A CB -0.857 18.124 19.000 -0.031 0.000 0.814 477 A HN 0.814 nan 8.150 nan 0.000 0.444 478 M N -0.596 118.967 119.600 -0.062 0.000 2.117 478 M HA -0.033 4.447 4.480 -0.000 0.000 0.262 478 M C 2.034 178.304 176.300 -0.050 0.000 1.065 478 M CA 2.100 57.349 55.300 -0.084 0.000 1.114 478 M CB -0.341 32.172 32.600 -0.145 0.000 1.361 478 M HN 0.255 nan 8.290 nan 0.000 0.408 479 A N 0.459 123.263 122.820 -0.026 0.000 2.119 479 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 479 A C 1.989 179.571 177.584 -0.005 0.000 1.152 479 A CA 0.665 52.698 52.037 -0.008 0.000 0.708 479 A CB -0.617 18.392 19.000 0.016 0.000 0.805 479 A HN 0.609 nan 8.150 nan 0.000 0.460 480 L N -0.013 121.204 121.223 -0.010 0.000 2.209 480 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 480 L C 2.853 179.709 176.870 -0.025 0.000 1.094 480 L CA 1.272 56.103 54.840 -0.015 0.000 0.790 480 L CB -0.197 41.850 42.059 -0.021 0.000 0.932 480 L HN 0.514 nan 8.230 nan 0.000 0.447 481 S N -1.158 114.524 115.700 -0.031 0.000 2.406 481 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 481 S C 1.901 176.487 174.600 -0.024 0.000 1.020 481 S CA 0.711 58.892 58.200 -0.032 0.000 0.965 481 S CB -0.597 62.581 63.200 -0.037 0.000 0.798 481 S HN 0.131 nan 8.310 nan 0.000 0.488 482 V N 2.063 121.963 119.914 -0.024 0.000 2.307 482 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 482 V C 2.513 178.602 176.094 -0.009 0.000 1.045 482 V CA 1.613 63.902 62.300 -0.018 0.000 1.024 482 V CB -0.819 30.992 31.823 -0.019 0.000 0.651 482 V HN 0.409 nan 8.190 nan 0.000 0.449 483 L N -0.614 120.605 121.223 -0.007 0.000 1.961 483 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 483 L C 2.522 179.392 176.870 -0.001 0.000 1.072 483 L CA 1.506 56.345 54.840 -0.001 0.000 0.749 483 L CB -0.684 41.375 42.059 0.001 0.000 0.889 483 L HN 0.124 nan 8.230 nan 0.000 0.432 484 V N -0.002 119.905 119.914 -0.011 0.000 2.363 484 V HA -0.405 3.715 4.120 -0.000 0.000 0.254 484 V C 2.513 178.604 176.094 -0.005 0.000 1.074 484 V CA 2.119 64.408 62.300 -0.018 0.000 1.069 484 V CB -0.713 31.089 31.823 -0.035 0.000 0.659 484 V HN 0.572 nan 8.190 nan 0.000 0.455 485 A N -1.726 121.092 122.820 -0.003 0.000 1.984 485 A HA 0.073 4.393 4.320 -0.000 0.000 0.214 485 A C 2.121 179.712 177.584 0.012 0.000 1.173 485 A CA 0.874 52.914 52.037 0.005 0.000 0.673 485 A CB -0.244 18.755 19.000 -0.001 0.000 0.830 485 A HN 0.478 nan 8.150 nan 0.000 0.453 486 L N -0.407 120.822 121.223 0.009 0.000 2.179 486 L HA 0.089 4.428 4.340 -0.000 0.000 0.208 486 L C 0.606 177.491 176.870 0.025 0.000 1.096 486 L CA 0.506 55.354 54.840 0.013 0.000 0.779 486 L CB -0.086 41.978 42.059 0.008 0.000 0.922 486 L HN 0.333 nan 8.230 nan 0.000 0.443 487 I N -2.390 118.197 120.570 0.030 0.000 3.501 487 I HA 0.120 4.290 4.170 -0.000 0.000 0.297 487 I C 1.110 177.259 176.117 0.054 0.000 1.199 487 I CA -0.608 60.720 61.300 0.047 0.000 0.987 487 I CB 0.836 38.865 38.000 0.048 0.000 1.365 487 I HN -0.027 nan 8.210 nan 0.000 0.574 488 L N 0.313 121.587 121.223 0.084 0.000 3.478 488 L HA -0.412 3.928 4.340 -0.000 0.000 0.054 488 L C 1.705 178.639 176.870 0.107 0.000 4.404 488 L CA 2.998 57.901 54.840 0.106 0.000 0.544 488 L CB -2.244 39.835 42.059 0.033 0.000 3.531 488 L HN 0.824 nan 8.230 nan 0.000 0.754 489 T N 1.045 115.638 114.554 0.065 0.000 2.652 489 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 489 T C -0.521 174.220 174.700 0.068 0.000 1.039 489 T CA 2.129 64.267 62.100 0.064 0.000 1.153 489 T CB -1.280 67.612 68.868 0.039 0.000 0.863 489 T HN 0.542 nan 8.240 nan 0.000 0.428 490 P HA -0.262 nan 4.420 nan 0.000 0.221 490 P C 1.555 178.891 177.300 0.060 0.000 1.160 490 P CA 2.021 65.153 63.100 0.052 0.000 0.933 490 P CB -0.376 31.351 31.700 0.045 0.000 0.793 491 A N -0.945 121.925 122.820 0.083 0.000 1.829 491 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 491 A C 2.381 180.025 177.584 0.099 0.000 1.207 491 A CA 2.006 54.099 52.037 0.092 0.000 0.622 491 A CB -1.684 17.409 19.000 0.155 0.000 0.846 491 A HN 0.129 nan 8.150 nan 0.000 0.447 492 L N -0.593 120.733 121.223 0.171 0.000 2.034 492 L HA -0.354 3.986 4.340 -0.000 0.000 0.217 492 L C 2.832 179.761 176.870 0.098 0.000 1.077 492 L CA 2.155 57.097 54.840 0.171 0.000 0.769 492 L CB -0.489 41.715 42.059 0.241 0.000 0.890 492 L HN 0.626 nan 8.230 nan 0.000 0.435 493 C N -1.290 118.060 119.300 0.083 0.000 2.393 493 C HA -0.260 4.200 4.460 -0.000 0.000 0.276 493 C C 2.953 177.970 174.990 0.045 0.000 1.215 493 C CA 0.805 59.860 59.018 0.061 0.000 1.743 493 C CB -1.363 26.409 27.740 0.055 0.000 2.044 493 C HN 0.713 nan 8.230 nan 0.000 0.464 494 A N 0.112 122.954 122.820 0.037 0.000 1.821 494 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 494 A C 2.131 179.720 177.584 0.009 0.000 1.214 494 A CA 2.605 54.654 52.037 0.020 0.000 0.608 494 A CB -1.620 17.386 19.000 0.011 0.000 0.862 494 A HN 0.519 nan 8.150 nan 0.000 0.448 495 T N -1.112 113.441 114.554 -0.001 0.000 2.654 495 T HA -0.252 4.098 4.350 -0.000 0.000 0.251 495 T C 0.797 175.489 174.700 -0.014 0.000 1.163 495 T CA 2.098 64.184 62.100 -0.025 0.000 1.136 495 T CB -0.375 68.469 68.868 -0.041 0.000 0.839 495 T HN 0.564 nan 8.240 nan 0.000 0.466 496 M N -0.426 119.182 119.600 0.012 0.000 2.294 496 M HA 0.446 4.925 4.480 -0.000 0.000 0.280 496 M C -1.568 174.759 176.300 0.045 0.000 1.085 496 M CA -0.562 54.753 55.300 0.024 0.000 0.969 496 M CB 2.049 34.663 32.600 0.023 0.000 1.770 496 M HN 0.176 nan 8.290 nan 0.000 0.485 497 L N 3.545 124.794 121.223 0.044 0.000 2.884 497 L HA 0.468 4.808 4.340 -0.000 0.000 0.155 497 L C -0.059 176.845 176.870 0.057 0.000 1.296 497 L CA 1.209 56.081 54.840 0.054 0.000 0.946 497 L CB -0.380 41.708 42.059 0.047 0.000 1.862 497 L HN 0.790 nan 8.230 nan 0.000 0.529 514 G N 0.415 109.573 108.800 0.595 0.000 2.705 514 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.214 514 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.214 514 G C 0.706 175.878 174.900 0.454 0.000 1.321 514 G CA 1.357 46.730 45.100 0.454 0.000 0.826 514 G HN 0.778 nan 8.290 nan 0.000 0.595 515 W N -0.174 121.140 121.300 0.022 0.000 1.985 515 W HA -0.356 4.304 4.660 -0.000 0.000 0.345 515 W C 2.272 178.668 176.519 -0.205 0.000 1.768 515 W CA 1.979 59.227 57.345 -0.162 0.000 2.024 515 W CB -1.841 27.445 29.460 -0.290 0.000 0.927 515 W HN 0.234 nan 8.180 nan 0.000 0.463 516 F N -0.362 119.773 119.950 0.309 0.000 2.074 516 F HA -0.145 4.382 4.527 -0.000 0.000 0.293 516 F C 2.395 178.347 175.800 0.253 0.000 1.116 516 F CA 1.820 59.961 58.000 0.236 0.000 1.212 516 F CB -1.181 37.949 39.000 0.216 0.000 0.998 516 F HN -0.146 nan 8.300 nan 0.000 0.471 517 N N 0.637 119.569 118.700 0.388 0.000 2.069 517 N HA -0.225 4.515 4.740 -0.000 0.000 0.196 517 N C 1.849 177.477 175.510 0.197 0.000 1.024 517 N CA 1.469 54.660 53.050 0.235 0.000 0.869 517 N CB -0.672 37.916 38.487 0.168 0.000 1.035 517 N HN 0.260 nan 8.380 nan 0.000 0.434 518 R N 0.176 120.767 120.500 0.152 0.000 2.122 518 R HA -0.097 4.243 4.340 -0.000 0.000 0.236 518 R C 2.351 178.672 176.300 0.036 0.000 1.129 518 R CA 1.554 57.692 56.100 0.063 0.000 0.925 518 R CB -0.325 29.968 30.300 -0.012 0.000 0.850 518 R HN 0.181 nan 8.270 nan 0.000 0.431 519 M N -0.444 119.156 119.600 0.001 0.000 2.106 519 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 519 M C 1.929 178.180 176.300 -0.082 0.000 1.068 519 M CA 1.774 57.006 55.300 -0.112 0.000 1.100 519 M CB -0.486 31.968 32.600 -0.245 0.000 1.351 519 M HN 0.119 nan 8.290 nan 0.000 0.404 520 F N 0.201 120.143 119.950 -0.012 0.000 2.365 520 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 520 F C 2.419 178.175 175.800 -0.073 0.000 1.090 520 F CA 1.081 59.072 58.000 -0.016 0.000 1.408 520 F CB -0.349 38.654 39.000 0.005 0.000 1.060 520 F HN 0.331 nan 8.300 nan 0.000 0.534 521 E N 0.740 120.985 120.200 0.074 0.000 1.999 521 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 521 E C 2.075 178.690 176.600 0.024 0.000 0.995 521 E CA 1.296 57.657 56.400 -0.065 0.000 0.825 521 E CB 0.079 29.806 29.700 0.044 0.000 0.777 521 E HN 0.179 nan 8.360 nan 0.000 0.459 522 K N 0.667 121.123 120.400 0.092 0.000 2.032 522 K HA -0.229 4.091 4.320 -0.000 0.000 0.218 522 K C 2.309 179.006 176.600 0.162 0.000 1.054 522 K CA 1.894 58.242 56.287 0.101 0.000 0.941 522 K CB -0.867 31.603 32.500 -0.049 0.000 0.720 522 K HN 0.027 nan 8.250 nan 0.000 0.449 523 S N -0.286 115.457 115.700 0.071 0.000 2.365 523 S HA -0.207 4.262 4.470 -0.000 0.000 0.225 523 S C 1.927 176.603 174.600 0.127 0.000 1.039 523 S CA 2.120 60.393 58.200 0.122 0.000 1.033 523 S CB -0.557 62.611 63.200 -0.052 0.000 0.887 523 S HN 0.447 nan 8.310 nan 0.000 0.447 524 T N 0.760 115.346 114.554 0.054 0.000 2.896 524 T HA 0.096 4.445 4.350 -0.000 0.000 0.263 524 T C 1.123 175.897 174.700 0.124 0.000 1.050 524 T CA 1.052 63.179 62.100 0.045 0.000 1.140 524 T CB -0.312 68.557 68.868 0.002 0.000 0.877 524 T HN 0.609 nan 8.240 nan 0.000 0.457 525 H N -0.651 118.475 119.070 0.093 0.000 3.497 525 H HA 0.130 4.686 4.556 -0.000 0.000 0.208 525 H C 1.485 176.860 175.328 0.080 0.000 1.373 525 H CA -0.122 55.928 56.048 0.005 0.000 1.502 525 H CB 0.218 29.808 29.762 -0.286 0.000 1.556 525 H HN 0.163 nan 8.280 nan 0.000 0.911 526 H N -2.836 116.351 119.070 0.195 0.000 4.704 526 H HA -0.242 4.314 4.556 -0.000 0.000 0.076 526 H C 1.080 176.555 175.328 0.245 0.000 0.613 526 H CA 1.832 58.006 56.048 0.211 0.000 0.957 526 H CB -1.320 28.578 29.762 0.225 0.000 0.418 526 H HN 0.546 nan 8.280 nan 0.000 0.800 527 Y N 0.888 121.323 120.300 0.225 0.000 2.687 527 Y HA 0.217 4.767 4.550 -0.000 0.000 0.246 527 Y C 2.457 178.410 175.900 0.089 0.000 1.061 527 Y CA 2.160 60.358 58.100 0.164 0.000 1.400 527 Y CB -0.410 38.105 38.460 0.093 0.000 1.325 527 Y HN 0.166 nan 8.280 nan 0.000 0.498 528 T N 1.260 115.637 114.554 -0.295 0.000 2.849 528 T HA -0.138 4.212 4.350 -0.000 0.000 0.270 528 T C 1.036 175.582 174.700 -0.256 0.000 1.066 528 T CA 1.865 63.694 62.100 -0.452 0.000 1.130 528 T CB -0.258 68.452 68.868 -0.264 0.000 0.864 528 T HN 0.358 nan 8.240 nan 0.000 0.481 529 D N 1.226 121.565 120.400 -0.102 0.000 2.137 529 D HA -0.018 4.622 4.640 -0.000 0.000 0.202 529 D C 2.355 178.606 176.300 -0.082 0.000 0.970 529 D CA 1.166 55.120 54.000 -0.077 0.000 0.837 529 D CB -0.484 40.300 40.800 -0.027 0.000 0.981 529 D HN 0.503 nan 8.370 nan 0.000 0.475 530 S N -0.175 115.506 115.700 -0.033 0.000 2.603 530 S HA -0.007 4.463 4.470 -0.000 0.000 0.229 530 S C 1.777 176.288 174.600 -0.149 0.000 0.972 530 S CA 0.149 58.328 58.200 -0.035 0.000 0.935 530 S CB -0.094 63.146 63.200 0.066 0.000 0.769 530 S HN 0.028 nan 8.310 nan 0.000 0.536 531 V N 1.369 121.127 119.914 -0.259 0.000 2.685 531 V HA 0.180 4.300 4.120 -0.000 0.000 0.244 531 V C 2.754 178.623 176.094 -0.374 0.000 1.054 531 V CA 1.263 63.313 62.300 -0.416 0.000 1.076 531 V CB -1.113 30.295 31.823 -0.692 0.000 0.725 531 V HN 0.602 nan 8.190 nan 0.000 0.467 532 G N 0.492 109.123 108.800 -0.282 0.000 2.432 532 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.219 532 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.219 532 G C 1.583 176.384 174.900 -0.166 0.000 1.135 532 G CA 0.979 45.949 45.100 -0.218 0.000 0.767 532 G HN 0.563 nan 8.290 nan 0.000 0.550 533 G N 1.428 110.150 108.800 -0.130 0.000 2.402 533 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.216 533 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.216 533 G C 1.774 176.658 174.900 -0.027 0.000 1.162 533 G CA 1.067 46.132 45.100 -0.059 0.000 0.777 533 G HN 0.570 nan 8.290 nan 0.000 0.539 534 I N -0.773 119.736 120.570 -0.101 0.000 2.094 534 I HA -0.023 4.147 4.170 -0.000 0.000 0.234 534 I C 2.577 178.578 176.117 -0.193 0.000 1.063 534 I CA 0.824 62.086 61.300 -0.064 0.000 1.328 534 I CB -0.845 37.016 38.000 -0.231 0.000 1.058 534 I HN 0.002 nan 8.210 nan 0.000 0.400 535 L N 0.385 121.330 121.223 -0.462 0.000 2.171 535 L HA -0.284 4.056 4.340 -0.000 0.000 0.216 535 L C 2.950 179.693 176.870 -0.212 0.000 1.084 535 L CA 1.711 56.285 54.840 -0.443 0.000 0.771 535 L CB -0.767 41.052 42.059 -0.401 0.000 0.890 535 L HN 0.272 nan 8.230 nan 0.000 0.437 536 R N 0.073 120.498 120.500 -0.127 0.000 2.088 536 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 536 R C 1.428 177.731 176.300 0.004 0.000 1.136 536 R CA 1.391 57.457 56.100 -0.057 0.000 0.926 536 R CB -0.448 29.830 30.300 -0.036 0.000 0.837 536 R HN 0.491 nan 8.270 nan 0.000 0.429 537 S N -1.190 114.556 115.700 0.077 0.000 2.596 537 S HA 0.135 4.604 4.470 -0.000 0.000 0.260 537 S C 0.547 175.291 174.600 0.239 0.000 1.336 537 S CA -0.053 58.240 58.200 0.156 0.000 0.993 537 S CB 1.834 65.167 63.200 0.220 0.000 0.923 537 S HN 0.263 nan 8.310 nan 0.000 0.567 538 T N -0.337 114.377 114.554 0.268 0.000 3.786 538 T HA 0.215 4.565 4.350 -0.000 0.000 0.312 538 T C 1.672 176.526 174.700 0.257 0.000 0.902 538 T CA 0.086 62.390 62.100 0.340 0.000 1.133 538 T CB -1.176 67.804 68.868 0.186 0.000 1.109 538 T HN 0.714 nan 8.240 nan 0.000 0.521 539 G N 1.336 110.217 108.800 0.136 0.000 2.448 539 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 539 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 539 G C 1.398 176.320 174.900 0.037 0.000 1.127 539 G CA 1.205 46.352 45.100 0.077 0.000 0.766 539 G HN 0.421 nan 8.290 nan 0.000 0.552 540 R N -0.929 119.568 120.500 -0.004 0.000 2.062 540 R HA 0.036 4.376 4.340 -0.000 0.000 0.226 540 R C 1.976 178.174 176.300 -0.170 0.000 1.125 540 R CA 0.833 56.847 56.100 -0.143 0.000 0.966 540 R CB -0.316 29.805 30.300 -0.298 0.000 0.861 540 R HN 0.455 nan 8.270 nan 0.000 0.433 541 Y N -0.114 120.208 120.300 0.037 0.000 2.561 541 Y HA -0.049 4.500 4.550 -0.000 0.000 0.291 541 Y C 1.799 177.631 175.900 -0.112 0.000 1.141 541 Y CA 0.129 58.171 58.100 -0.098 0.000 1.303 541 Y CB 0.269 38.556 38.460 -0.289 0.000 1.015 541 Y HN 0.151 nan 8.280 nan 0.000 0.547 542 L N -1.232 120.061 121.223 0.117 0.000 2.127 542 L HA -0.075 4.265 4.340 -0.000 0.000 0.203 542 L C 2.052 178.993 176.870 0.118 0.000 1.080 542 L CA 0.996 55.903 54.840 0.113 0.000 0.768 542 L CB -0.440 41.679 42.059 0.100 0.000 0.924 542 L HN -0.064 nan 8.230 nan 0.000 0.444 543 V N -0.083 119.866 119.914 0.057 0.000 2.568 543 V HA -0.279 3.841 4.120 -0.000 0.000 0.253 543 V C 2.399 178.498 176.094 0.007 0.000 1.072 543 V CA 1.856 64.169 62.300 0.022 0.000 1.084 543 V CB -0.460 31.354 31.823 -0.015 0.000 0.676 543 V HN 0.443 nan 8.190 nan 0.000 0.469 544 L N -1.241 119.988 121.223 0.010 0.000 2.131 544 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 544 L C 2.236 179.122 176.870 0.026 0.000 1.087 544 L CA 1.633 56.471 54.840 -0.004 0.000 0.767 544 L CB -0.574 41.484 42.059 -0.001 0.000 0.917 544 L HN 0.462 nan 8.230 nan 0.000 0.441 545 Y N -0.364 119.913 120.300 -0.040 0.000 2.181 545 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 545 Y C 1.965 177.851 175.900 -0.024 0.000 1.146 545 Y CA 1.964 60.043 58.100 -0.035 0.000 1.164 545 Y CB -0.135 38.303 38.460 -0.036 0.000 0.982 545 Y HN 0.164 nan 8.280 nan 0.000 0.515 546 L N -0.421 120.794 121.223 -0.013 0.000 2.179 546 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 546 L C 2.360 179.155 176.870 -0.126 0.000 1.096 546 L CA 0.807 55.593 54.840 -0.091 0.000 0.779 546 L CB -0.443 41.643 42.059 0.045 0.000 0.922 546 L HN 0.221 nan 8.230 nan 0.000 0.443 547 I N -0.175 120.342 120.570 -0.088 0.000 2.361 547 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 547 I C 2.356 178.408 176.117 -0.109 0.000 1.133 547 I CA 1.448 62.698 61.300 -0.084 0.000 1.413 547 I CB 0.012 37.973 38.000 -0.065 0.000 1.073 547 I HN 0.220 nan 8.210 nan 0.000 0.424 548 I N -0.345 120.132 120.570 -0.156 0.000 2.353 548 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 548 I C 2.327 178.331 176.117 -0.188 0.000 1.119 548 I CA 0.937 62.139 61.300 -0.163 0.000 1.417 548 I CB -0.001 37.889 38.000 -0.184 0.000 1.078 548 I HN -0.040 nan 8.210 nan 0.000 0.421 549 V N -0.009 119.736 119.914 -0.281 0.000 2.427 549 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 549 V C 2.382 178.406 176.094 -0.117 0.000 1.051 549 V CA 1.284 63.445 62.300 -0.232 0.000 1.048 549 V CB -0.235 31.416 31.823 -0.287 0.000 0.666 549 V HN 0.224 nan 8.190 nan 0.000 0.456 550 V N 1.096 120.954 119.914 -0.093 0.000 2.282 550 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 550 V C 2.628 178.724 176.094 0.003 0.000 1.057 550 V CA 2.416 64.689 62.300 -0.043 0.000 1.032 550 V CB -1.468 30.323 31.823 -0.052 0.000 0.645 550 V HN 0.610 nan 8.190 nan 0.000 0.447 551 G N -1.394 107.404 108.800 -0.003 0.000 2.402 551 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.216 551 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.216 551 G C 1.626 176.580 174.900 0.090 0.000 1.162 551 G CA 0.952 46.088 45.100 0.061 0.000 0.777 551 G HN 0.388 nan 8.290 nan 0.000 0.539 552 M N 0.797 120.409 119.600 0.020 0.000 2.267 552 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 552 M C 2.658 178.976 176.300 0.029 0.000 1.063 552 M CA 1.505 56.812 55.300 0.012 0.000 1.090 552 M CB -0.185 32.374 32.600 -0.068 0.000 1.392 552 M HN 0.336 nan 8.290 nan 0.000 0.422 553 A N -0.506 122.333 122.820 0.031 0.000 1.826 553 A HA -0.234 4.086 4.320 -0.000 0.000 0.214 553 A C 1.841 179.538 177.584 0.187 0.000 1.212 553 A CA 1.377 53.455 52.037 0.067 0.000 0.605 553 A CB -1.536 17.493 19.000 0.048 0.000 0.861 553 A HN 0.600 nan 8.150 nan 0.000 0.447 554 Y N 0.263 120.601 120.300 0.064 0.000 2.228 554 Y HA -0.156 4.394 4.550 -0.000 0.000 0.285 554 Y C 1.618 177.576 175.900 0.096 0.000 1.178 554 Y CA 1.744 59.887 58.100 0.071 0.000 1.202 554 Y CB -0.201 38.282 38.460 0.038 0.000 0.974 554 Y HN 0.209 nan 8.280 nan 0.000 0.527 555 L N -0.471 120.825 121.223 0.122 0.000 2.672 555 L HA 0.004 4.343 4.340 -0.000 0.000 0.236 555 L C 0.781 177.728 176.870 0.128 0.000 1.186 555 L CA 0.290 55.169 54.840 0.066 0.000 0.977 555 L CB -0.337 41.804 42.059 0.136 0.000 1.203 555 L HN 0.392 nan 8.230 nan 0.000 0.448 556 F N -2.021 117.901 119.950 -0.046 0.000 2.244 556 F HA 0.002 4.529 4.527 -0.000 0.000 0.272 556 F C 1.786 177.574 175.800 -0.020 0.000 0.882 556 F CA 0.514 58.517 58.000 0.006 0.000 1.101 556 F CB 0.059 39.083 39.000 0.039 0.000 1.097 556 F HN -0.188 nan 8.300 nan 0.000 0.762 557 V N 0.758 120.802 119.914 0.216 0.000 2.324 557 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 557 V C 2.284 178.319 176.094 -0.097 0.000 1.060 557 V CA 2.204 64.540 62.300 0.059 0.000 1.042 557 V CB -1.121 30.762 31.823 0.098 0.000 0.650 557 V HN 0.237 nan 8.190 nan 0.000 0.450 558 R N -0.114 120.280 120.500 -0.177 0.000 2.119 558 R HA 0.271 4.611 4.340 -0.000 0.000 0.222 558 R C 0.865 177.054 176.300 -0.184 0.000 1.088 558 R CA 0.051 56.017 56.100 -0.223 0.000 0.984 558 R CB -1.043 29.010 30.300 -0.412 0.000 0.884 558 R HN 0.578 nan 8.270 nan 0.000 0.447 559 L N 3.540 124.650 121.223 -0.188 0.000 2.534 559 L HA 0.140 4.480 4.340 -0.000 0.000 0.271 559 L C -2.080 174.675 176.870 -0.192 0.000 1.178 559 L CA -1.210 53.519 54.840 -0.185 0.000 0.907 559 L CB 0.264 42.204 42.059 -0.199 0.000 1.164 559 L HN 0.054 nan 8.230 nan 0.000 0.482 560 P HA 0.102 nan 4.420 nan 0.000 0.274 560 P C -1.248 175.993 177.300 -0.099 0.000 1.256 560 P CA -0.591 62.444 63.100 -0.108 0.000 0.795 560 P CB 1.027 32.681 31.700 -0.076 0.000 1.038 561 S N -0.068 115.598 115.700 -0.057 0.000 2.530 561 S HA 0.490 4.960 4.470 -0.000 0.000 0.322 561 S C -0.274 174.343 174.600 0.027 0.000 1.085 561 S CA -0.311 57.880 58.200 -0.016 0.000 1.096 561 S CB -0.031 63.162 63.200 -0.012 0.000 0.988 561 S HN 0.404 nan 8.310 nan 0.000 0.466 562 S N 2.608 118.344 115.700 0.060 0.000 2.786 562 S HA 0.671 5.141 4.470 -0.000 0.000 0.307 562 S C -0.162 174.553 174.600 0.192 0.000 1.121 562 S CA -0.512 57.746 58.200 0.097 0.000 0.975 562 S CB 0.991 64.232 63.200 0.068 0.000 1.220 562 S HN 0.752 nan 8.310 nan 0.000 0.550 563 F N 0.353 120.302 119.950 -0.001 0.000 2.532 563 F HA 0.630 5.157 4.527 -0.000 0.000 0.278 563 F C -0.475 175.294 175.800 -0.052 0.000 0.975 563 F CA 0.086 58.069 58.000 -0.027 0.000 1.292 563 F CB 0.050 39.021 39.000 -0.048 0.000 1.112 563 F HN 0.372 nan 8.300 nan 0.000 0.703 564 L N 0.806 121.878 121.223 -0.250 0.000 2.545 564 L HA 0.498 4.838 4.340 -0.000 0.000 0.258 564 L C -2.730 174.085 176.870 -0.092 0.000 0.942 564 L CA -1.821 52.810 54.840 -0.348 0.000 0.855 564 L CB 1.412 43.036 42.059 -0.724 0.000 1.374 564 L HN -0.145 nan 8.230 nan 0.000 0.411 565 P HA 0.202 nan 4.420 nan 0.000 0.268 565 P C -1.309 176.022 177.300 0.051 0.000 1.204 565 P CA -0.090 63.057 63.100 0.079 0.000 0.768 565 P CB 0.339 32.133 31.700 0.156 0.000 0.842 566 D N 2.402 122.826 120.400 0.041 0.000 2.402 566 D HA 0.095 4.735 4.640 -0.000 0.000 0.235 566 D C 0.150 176.488 176.300 0.064 0.000 1.226 566 D CA 0.110 54.133 54.000 0.038 0.000 0.918 566 D CB 0.204 41.022 40.800 0.031 0.000 1.043 566 D HN 0.285 nan 8.370 nan 0.000 0.506 567 E N 1.025 121.277 120.200 0.087 0.000 2.280 567 E HA 0.134 4.484 4.350 -0.000 0.000 0.264 567 E C -0.294 176.390 176.600 0.139 0.000 1.064 567 E CA -0.852 55.629 56.400 0.134 0.000 0.900 567 E CB 1.034 30.859 29.700 0.207 0.000 1.123 567 E HN 0.289 nan 8.360 nan 0.000 0.418 568 D N 1.414 121.938 120.400 0.206 0.000 2.358 568 D HA -0.049 4.591 4.640 -0.000 0.000 0.258 568 D C -0.277 176.292 176.300 0.449 0.000 1.223 568 D CA 0.660 54.820 54.000 0.267 0.000 0.886 568 D CB 0.798 41.801 40.800 0.338 0.000 1.120 568 D HN 0.342 nan 8.370 nan 0.000 0.482 569 Q N 1.995 121.921 119.800 0.211 0.000 2.172 569 Q HA 0.252 4.592 4.340 -0.000 0.000 0.217 569 Q C 1.063 177.104 176.000 0.068 0.000 0.832 569 Q CA 0.114 55.944 55.803 0.044 0.000 1.010 569 Q CB 0.428 28.951 28.738 -0.359 0.000 1.133 569 Q HN 0.813 nan 8.270 nan 0.000 0.489 570 G N 0.136 108.803 108.800 -0.222 0.000 2.166 570 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 570 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 570 G C -0.101 174.637 174.900 -0.269 0.000 0.986 570 G CA 0.534 45.266 45.100 -0.614 0.000 0.683 570 G HN 0.297 nan 8.290 nan 0.000 0.527 571 V N 0.159 119.989 119.914 -0.141 0.000 2.781 571 V HA 0.558 4.678 4.120 -0.000 0.000 0.289 571 V C -0.339 175.750 176.094 -0.007 0.000 1.275 571 V CA -0.424 61.781 62.300 -0.159 0.000 0.936 571 V CB 1.192 32.755 31.823 -0.433 0.000 1.074 571 V HN 1.028 nan 8.190 nan 0.000 0.444 572 F N 4.779 124.684 119.950 -0.075 0.000 2.764 572 F HA 0.994 5.521 4.527 -0.000 0.000 0.347 572 F C -0.452 175.456 175.800 0.180 0.000 1.151 572 F CA -1.049 56.978 58.000 0.045 0.000 1.021 572 F CB 2.131 41.139 39.000 0.014 0.000 1.438 572 F HN 0.548 nan 8.300 nan 0.000 0.516 573 M N 0.655 120.224 119.600 -0.051 0.000 2.880 573 M HA 0.669 5.149 4.480 -0.000 0.000 0.269 573 M C -1.894 174.224 176.300 -0.303 0.000 1.248 573 M CA -0.503 54.701 55.300 -0.160 0.000 0.821 573 M CB 2.101 34.901 32.600 0.333 0.000 1.650 573 M HN 0.890 nan 8.290 nan 0.000 0.479 574 T N 1.580 115.992 114.554 -0.237 0.000 3.041 574 T HA 0.651 5.001 4.350 -0.000 0.000 0.321 574 T C -1.210 173.404 174.700 -0.144 0.000 1.184 574 T CA -0.792 61.166 62.100 -0.236 0.000 1.050 574 T CB 1.705 70.637 68.868 0.108 0.000 1.159 574 T HN 0.945 nan 8.240 nan 0.000 0.469 575 M N 3.813 123.389 119.600 -0.040 0.000 2.664 575 M HA 0.887 5.367 4.480 -0.000 0.000 0.314 575 M C -1.651 174.633 176.300 -0.027 0.000 1.200 575 M CA -0.728 54.612 55.300 0.067 0.000 0.916 575 M CB 2.048 34.853 32.600 0.341 0.000 1.717 575 M HN 0.363 nan 8.290 nan 0.000 0.470 576 V N 1.614 121.489 119.914 -0.065 0.000 2.864 576 V HA 0.732 4.852 4.120 -0.000 0.000 0.314 576 V C -1.076 174.978 176.094 -0.067 0.000 1.073 576 V CA -0.508 61.713 62.300 -0.133 0.000 0.956 576 V CB 1.660 33.376 31.823 -0.178 0.000 1.023 576 V HN 0.972 nan 8.190 nan 0.000 0.435 577 Q N 2.445 122.189 119.800 -0.093 0.000 2.364 577 Q HA 0.554 4.894 4.340 -0.000 0.000 0.257 577 Q C -2.453 173.511 176.000 -0.059 0.000 0.956 577 Q CA -0.305 55.473 55.803 -0.042 0.000 0.924 577 Q CB 1.694 30.432 28.738 0.001 0.000 1.413 577 Q HN 0.612 nan 8.270 nan 0.000 0.418 578 L N 4.838 126.041 121.223 -0.032 0.000 2.332 578 L HA 0.732 5.072 4.340 -0.000 0.000 0.269 578 L C -1.965 174.901 176.870 -0.007 0.000 1.016 578 L CA -1.878 52.943 54.840 -0.032 0.000 0.809 578 L CB 1.337 43.377 42.059 -0.031 0.000 1.280 578 L HN 0.722 nan 8.230 nan 0.000 0.447 579 P HA 0.116 nan 4.420 nan 0.000 0.297 579 P C -0.853 176.461 177.300 0.023 0.000 1.303 579 P CA -0.558 62.547 63.100 0.008 0.000 0.753 579 P CB 0.344 32.044 31.700 -0.000 0.000 1.281 580 A N -0.385 122.456 122.820 0.035 0.000 2.540 580 A HA 0.318 4.638 4.320 -0.000 0.000 0.268 580 A C 1.343 178.954 177.584 0.047 0.000 1.061 580 A CA 0.809 52.879 52.037 0.054 0.000 0.821 580 A CB -2.133 16.908 19.000 0.069 0.000 0.970 580 A HN 0.917 nan 8.150 nan 0.000 0.524 581 G N 1.333 110.168 108.800 0.058 0.000 2.272 581 G HA2 0.170 4.130 3.960 -0.000 0.000 0.280 581 G HA3 0.170 4.130 3.960 -0.000 0.000 0.280 581 G C 0.461 175.383 174.900 0.036 0.000 1.067 581 G CA 0.454 45.589 45.100 0.059 0.000 0.902 581 G HN 2.163 nan 8.290 nan 0.000 0.500 582 A N -0.466 122.369 122.820 0.025 0.000 2.272 582 A HA 0.930 5.250 4.320 -0.000 0.000 0.275 582 A C 1.009 178.601 177.584 0.013 0.000 1.096 582 A CA 0.853 52.895 52.037 0.009 0.000 0.822 582 A CB 0.589 19.586 19.000 -0.004 0.000 1.088 582 A HN 1.779 nan 8.150 nan 0.000 0.495 583 T N -2.141 112.413 114.554 0.001 0.000 2.889 583 T HA 0.374 4.724 4.350 -0.000 0.000 0.278 583 T C 0.899 175.596 174.700 -0.005 0.000 0.995 583 T CA 0.076 62.177 62.100 0.002 0.000 0.966 583 T CB 1.034 69.898 68.868 -0.006 0.000 1.237 583 T HN 0.636 nan 8.240 nan 0.000 0.591 584 Q N -0.419 119.379 119.800 -0.004 0.000 2.167 584 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 584 Q C 2.054 178.040 176.000 -0.024 0.000 0.970 584 Q CA 1.180 56.979 55.803 -0.007 0.000 0.855 584 Q CB -0.035 28.704 28.738 0.002 0.000 0.911 584 Q HN 0.777 nan 8.270 nan 0.000 0.438 585 E N -0.020 120.163 120.200 -0.029 0.000 2.150 585 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 585 E C 2.008 178.581 176.600 -0.044 0.000 0.985 585 E CA 0.516 56.893 56.400 -0.039 0.000 0.814 585 E CB 0.219 29.895 29.700 -0.041 0.000 0.752 585 E HN 0.270 nan 8.360 nan 0.000 0.466 586 R N -0.363 120.113 120.500 -0.040 0.000 2.062 586 R HA -0.056 4.283 4.340 -0.000 0.000 0.226 586 R C 2.400 178.664 176.300 -0.060 0.000 1.125 586 R CA 1.405 57.477 56.100 -0.047 0.000 0.966 586 R CB -0.661 29.616 30.300 -0.037 0.000 0.861 586 R HN 0.081 nan 8.270 nan 0.000 0.433 587 T N 0.312 114.833 114.554 -0.055 0.000 2.995 587 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 587 T C 1.689 176.336 174.700 -0.090 0.000 1.091 587 T CA 1.187 63.244 62.100 -0.071 0.000 1.128 587 T CB 0.089 68.926 68.868 -0.051 0.000 0.891 587 T HN 0.088 nan 8.240 nan 0.000 0.492 588 Q N 1.317 121.072 119.800 -0.076 0.000 2.167 588 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 588 Q C 2.130 178.067 176.000 -0.104 0.000 0.970 588 Q CA 1.603 57.355 55.803 -0.085 0.000 0.855 588 Q CB -0.290 28.410 28.738 -0.064 0.000 0.911 588 Q HN 0.564 nan 8.270 nan 0.000 0.438 589 K N -0.908 119.432 120.400 -0.100 0.000 2.097 589 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 589 K C 1.593 178.101 176.600 -0.152 0.000 1.049 589 K CA 1.459 57.677 56.287 -0.114 0.000 0.933 589 K CB 0.070 32.515 32.500 -0.092 0.000 0.717 589 K HN 0.165 nan 8.250 nan 0.000 0.442 590 V N 1.364 121.183 119.914 -0.158 0.000 2.488 590 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 590 V C 2.177 178.113 176.094 -0.264 0.000 1.046 590 V CA 1.215 63.393 62.300 -0.205 0.000 1.053 590 V CB -0.272 31.433 31.823 -0.196 0.000 0.679 590 V HN 0.260 nan 8.190 nan 0.000 0.458 591 L N 0.316 121.401 121.223 -0.229 0.000 2.275 591 L HA -0.082 4.258 4.340 -0.000 0.000 0.215 591 L C 2.282 179.016 176.870 -0.227 0.000 1.119 591 L CA 1.033 55.727 54.840 -0.243 0.000 0.790 591 L CB -0.589 41.356 42.059 -0.190 0.000 0.919 591 L HN 0.336 nan 8.230 nan 0.000 0.443 592 N N 0.034 118.606 118.700 -0.214 0.000 2.135 592 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 592 N C 1.752 176.983 175.510 -0.466 0.000 1.027 592 N CA 1.035 53.946 53.050 -0.233 0.000 0.849 592 N CB -0.053 38.315 38.487 -0.198 0.000 1.002 592 N HN 0.290 nan 8.380 nan 0.000 0.425 593 E N 0.018 119.964 120.200 -0.424 0.000 2.160 593 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 593 E C 1.712 178.189 176.600 -0.205 0.000 0.991 593 E CA 0.647 56.821 56.400 -0.377 0.000 0.810 593 E CB 0.114 29.684 29.700 -0.215 0.000 0.742 593 E HN 0.062 nan 8.360 nan 0.000 0.466 594 V N 0.561 120.294 119.914 -0.302 0.000 2.453 594 V HA -0.203 3.916 4.120 -0.000 0.000 0.247 594 V C 2.139 178.073 176.094 -0.267 0.000 1.048 594 V CA 1.971 64.022 62.300 -0.416 0.000 1.049 594 V CB -0.401 30.984 31.823 -0.730 0.000 0.672 594 V HN 0.328 nan 8.190 nan 0.000 0.457 595 T N -1.097 113.383 114.554 -0.124 0.000 2.962 595 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 595 T C 1.706 176.560 174.700 0.257 0.000 1.088 595 T CA 1.386 63.516 62.100 0.050 0.000 1.127 595 T CB -0.273 68.648 68.868 0.089 0.000 0.883 595 T HN 0.561 nan 8.240 nan 0.000 0.493 596 H N -0.712 118.374 119.070 0.026 0.000 2.415 596 H HA 0.151 4.706 4.556 -0.000 0.000 0.297 596 H C 1.736 177.150 175.328 0.142 0.000 1.048 596 H CA 0.225 56.313 56.048 0.067 0.000 1.365 596 H CB -0.681 29.111 29.762 0.050 0.000 1.421 596 H HN 0.403 nan 8.280 nan 0.000 0.533 597 Y N 0.214 120.655 120.300 0.236 0.000 2.274 597 Y HA -0.282 4.268 4.550 -0.000 0.000 0.290 597 Y C 1.250 177.393 175.900 0.404 0.000 1.145 597 Y CA 1.319 59.574 58.100 0.258 0.000 1.203 597 Y CB -0.097 38.515 38.460 0.254 0.000 0.984 597 Y HN 0.133 nan 8.280 nan 0.000 0.533 598 Y N -1.186 119.286 120.300 0.287 0.000 2.511 598 Y HA 0.082 4.632 4.550 -0.000 0.000 0.279 598 Y C 1.635 177.573 175.900 0.062 0.000 1.157 598 Y CA 0.167 58.381 58.100 0.190 0.000 1.300 598 Y CB -0.230 38.363 38.460 0.221 0.000 1.052 598 Y HN 0.208 nan 8.280 nan 0.000 0.529 599 L N -2.373 118.954 121.223 0.174 0.000 2.614 599 L HA 0.030 4.370 4.340 -0.000 0.000 0.185 599 L C 2.197 179.058 176.870 -0.015 0.000 1.098 599 L CA 0.726 55.590 54.840 0.041 0.000 0.852 599 L CB -0.438 41.608 42.059 -0.021 0.000 1.213 599 L HN -0.141 nan 8.230 nan 0.000 0.491 600 T N 0.040 114.578 114.554 -0.026 0.000 2.857 600 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 600 T C 1.407 176.066 174.700 -0.068 0.000 1.048 600 T CA 1.296 63.367 62.100 -0.048 0.000 1.139 600 T CB 0.111 68.956 68.868 -0.039 0.000 0.874 600 T HN 0.113 nan 8.240 nan 0.000 0.455 601 K N 0.480 120.811 120.400 -0.115 0.000 2.397 601 K HA 0.244 4.564 4.320 -0.000 0.000 0.202 601 K C 0.105 176.541 176.600 -0.273 0.000 1.022 601 K CA 0.105 56.246 56.287 -0.244 0.000 1.141 601 K CB 0.722 32.943 32.500 -0.464 0.000 0.857 601 K HN 0.149 nan 8.250 nan 0.000 0.514 602 E N 0.956 121.072 120.200 -0.141 0.000 3.364 602 E HA 0.064 4.414 4.350 -0.000 0.000 0.305 602 E C 0.020 176.600 176.600 -0.035 0.000 1.141 602 E CA 0.051 56.395 56.400 -0.092 0.000 1.079 602 E CB 0.240 29.898 29.700 -0.070 0.000 1.343 602 E HN 0.011 nan 8.360 nan 0.000 0.391 603 K N -0.388 119.988 120.400 -0.041 0.000 2.186 603 K HA 0.075 4.395 4.320 -0.000 0.000 0.202 603 K C 1.077 177.663 176.600 -0.023 0.000 1.052 603 K CA 0.614 56.885 56.287 -0.027 0.000 0.965 603 K CB 0.128 32.609 32.500 -0.031 0.000 0.746 603 K HN 0.061 nan 8.250 nan 0.000 0.457 604 N N 1.644 120.327 118.700 -0.029 0.000 2.223 604 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 604 N C 0.935 176.431 175.510 -0.024 0.000 1.016 604 N CA 1.349 54.385 53.050 -0.024 0.000 0.863 604 N CB -0.116 38.355 38.487 -0.026 0.000 0.983 604 N HN 0.354 nan 8.380 nan 0.000 0.429 605 N N -1.196 117.486 118.700 -0.030 0.000 2.294 605 N HA 0.135 4.875 4.740 -0.000 0.000 0.186 605 N C -0.869 174.626 175.510 -0.024 0.000 1.107 605 N CA -0.056 52.973 53.050 -0.035 0.000 0.884 605 N CB 1.213 39.672 38.487 -0.047 0.000 1.030 605 N HN -0.113 nan 8.380 nan 0.000 0.482 606 V N 1.558 121.467 119.914 -0.008 0.000 2.357 606 V HA 0.139 4.259 4.120 -0.000 0.000 0.284 606 V C 0.804 176.906 176.094 0.012 0.000 1.018 606 V CA -0.281 62.026 62.300 0.012 0.000 0.841 606 V CB 1.512 33.358 31.823 0.037 0.000 0.991 606 V HN 0.052 nan 8.190 nan 0.000 0.437 607 E N 3.973 124.182 120.200 0.016 0.000 2.072 607 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 607 E C 0.931 177.551 176.600 0.034 0.000 0.982 607 E CA 1.242 57.659 56.400 0.027 0.000 0.803 607 E CB 0.314 30.037 29.700 0.039 0.000 0.755 607 E HN 0.820 nan 8.360 nan 0.000 0.453 608 S N -1.881 113.851 115.700 0.054 0.000 2.643 608 S HA 0.666 5.136 4.470 -0.000 0.000 0.270 608 S C -1.404 173.249 174.600 0.088 0.000 1.166 608 S CA -0.448 57.776 58.200 0.039 0.000 0.815 608 S CB 1.302 64.621 63.200 0.197 0.000 1.139 608 S HN 0.004 nan 8.310 nan 0.000 0.472 609 V N 0.989 120.936 119.914 0.055 0.000 3.049 609 V HA 0.712 4.832 4.120 -0.000 0.000 0.309 609 V C -1.537 174.711 176.094 0.257 0.000 1.148 609 V CA -0.648 61.739 62.300 0.145 0.000 0.990 609 V CB 1.743 33.617 31.823 0.084 0.000 1.039 609 V HN 0.950 nan 8.190 nan 0.000 0.430 610 F N 2.432 122.440 119.950 0.097 0.000 2.794 610 F HA 0.750 5.276 4.527 -0.000 0.000 0.353 610 F C 0.523 176.227 175.800 -0.160 0.000 1.371 610 F CA -0.272 57.770 58.000 0.071 0.000 1.173 610 F CB 0.502 39.596 39.000 0.157 0.000 1.693 610 F HN 0.734 nan 8.300 nan 0.000 0.606 611 A N 1.814 124.501 122.820 -0.221 0.000 2.425 611 A HA 0.636 4.956 4.320 -0.000 0.000 0.242 611 A C -0.749 176.639 177.584 -0.326 0.000 1.077 611 A CA -0.154 51.723 52.037 -0.267 0.000 0.781 611 A CB 0.629 19.503 19.000 -0.209 0.000 1.020 611 A HN 0.440 nan 8.150 nan 0.000 0.494 612 V N 2.737 122.503 119.914 -0.247 0.000 2.509 612 V HA 0.163 4.283 4.120 -0.000 0.000 0.289 612 V C -0.183 175.893 176.094 -0.030 0.000 1.026 612 V CA -0.638 61.603 62.300 -0.099 0.000 0.872 612 V CB 1.329 33.178 31.823 0.042 0.000 1.017 612 V HN 1.004 nan 8.190 nan 0.000 0.436 613 N N 3.393 122.085 118.700 -0.013 0.000 2.420 613 N HA 0.466 5.206 4.740 -0.000 0.000 0.262 613 N C 0.885 176.431 175.510 0.060 0.000 1.144 613 N CA 1.151 54.199 53.050 -0.003 0.000 0.952 613 N CB 0.668 39.144 38.487 -0.019 0.000 1.081 613 N HN 1.137 nan 8.380 nan 0.000 0.480 614 G N 3.680 112.519 108.800 0.065 0.000 2.207 614 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 614 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 614 G C -0.420 174.604 174.900 0.207 0.000 1.053 614 G CA -0.086 45.074 45.100 0.100 0.000 0.764 614 G HN 0.654 nan 8.290 nan 0.000 0.495 615 F N 0.627 120.580 119.950 0.005 0.000 3.361 615 F HA 0.525 5.052 4.527 -0.000 0.000 0.390 615 F C 0.448 176.257 175.800 0.016 0.000 1.251 615 F CA -0.409 57.599 58.000 0.012 0.000 1.260 615 F CB 0.449 39.461 39.000 0.019 0.000 1.847 615 F HN 0.348 nan 8.300 nan 0.000 0.673 616 G N 2.029 110.848 108.800 0.031 0.000 2.528 616 G HA2 0.201 4.161 3.960 -0.000 0.000 0.289 616 G HA3 0.201 4.161 3.960 -0.000 0.000 0.289 616 G C -0.373 174.470 174.900 -0.095 0.000 1.192 616 G CA -0.405 44.662 45.100 -0.056 0.000 0.921 616 G HN 0.603 nan 8.290 nan 0.000 0.512 617 F N 0.855 120.792 119.950 -0.022 0.000 2.797 617 F HA 0.251 4.778 4.527 -0.000 0.000 0.302 617 F C 2.324 178.168 175.800 0.074 0.000 1.130 617 F CA -0.021 58.001 58.000 0.036 0.000 1.387 617 F CB 0.040 39.077 39.000 0.061 0.000 1.107 617 F HN 0.443 nan 8.300 nan 0.000 0.577 618 A N -0.269 122.713 122.820 0.271 0.000 1.832 618 A HA 0.310 4.630 4.320 -0.000 0.000 0.214 618 A C 2.041 179.753 177.584 0.214 0.000 1.200 618 A CA 1.971 54.127 52.037 0.198 0.000 0.610 618 A CB -1.049 18.044 19.000 0.155 0.000 0.842 618 A HN 0.419 nan 8.150 nan 0.000 0.444 619 G N -2.382 106.549 108.800 0.218 0.000 3.504 619 G HA2 0.503 4.462 3.960 -0.000 0.000 0.157 619 G HA3 0.503 4.462 3.960 -0.000 0.000 0.157 619 G C -0.084 174.974 174.900 0.264 0.000 1.245 619 G CA 0.188 45.422 45.100 0.224 0.000 1.410 619 G HN 0.449 nan 8.290 nan 0.000 0.731 620 R N -1.423 119.190 120.500 0.189 0.000 2.762 620 R HA 0.571 4.911 4.340 -0.000 0.000 0.271 620 R C -0.862 175.512 176.300 0.124 0.000 1.038 620 R CA 0.100 56.304 56.100 0.173 0.000 0.906 620 R CB 2.002 32.363 30.300 0.102 0.000 1.259 620 R HN 1.766 nan 8.270 nan 0.000 0.457 621 G N 0.236 109.098 108.800 0.104 0.000 2.459 621 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.685 621 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.685 621 G C -0.247 174.700 174.900 0.077 0.000 1.303 621 G CA -0.570 44.580 45.100 0.082 0.000 0.907 621 G HN 0.537 nan 8.290 nan 0.000 0.632 622 Q N -0.256 119.580 119.800 0.061 0.000 2.488 622 Q HA 0.009 4.348 4.340 -0.000 0.000 0.211 622 Q C 1.713 177.734 176.000 0.035 0.000 0.967 622 Q CA 0.812 56.643 55.803 0.047 0.000 0.926 622 Q CB 0.072 28.833 28.738 0.038 0.000 0.992 622 Q HN 0.406 nan 8.270 nan 0.000 0.506 623 N N 1.043 119.768 118.700 0.043 0.000 2.515 623 N HA -0.038 4.702 4.740 -0.000 0.000 0.185 623 N C 0.151 175.674 175.510 0.022 0.000 1.109 623 N CA 0.744 53.812 53.050 0.031 0.000 0.903 623 N CB 0.333 38.846 38.487 0.043 0.000 0.969 623 N HN 0.374 nan 8.380 nan 0.000 0.450 624 T N -4.131 110.443 114.554 0.033 0.000 2.807 624 T HA 0.883 5.232 4.350 -0.000 0.000 0.277 624 T C 0.299 174.998 174.700 -0.002 0.000 1.006 624 T CA -0.686 61.430 62.100 0.027 0.000 1.006 624 T CB 2.208 71.118 68.868 0.070 0.000 1.274 624 T HN 0.017 nan 8.240 nan 0.000 0.569 625 G N -0.928 107.852 108.800 -0.033 0.000 2.451 625 G HA2 0.565 4.525 3.960 -0.000 0.000 0.292 625 G HA3 0.565 4.525 3.960 -0.000 0.000 0.292 625 G C -2.273 172.537 174.900 -0.150 0.000 1.427 625 G CA -0.575 44.474 45.100 -0.085 0.000 0.792 625 G HN 1.082 nan 8.290 nan 0.000 0.498 626 I N -0.064 120.365 120.570 -0.235 0.000 2.724 626 I HA 0.635 4.805 4.170 -0.000 0.000 0.284 626 I C -0.415 175.423 176.117 -0.465 0.000 1.388 626 I CA -0.229 60.876 61.300 -0.325 0.000 1.081 626 I CB 1.482 39.225 38.000 -0.428 0.000 1.368 626 I HN 1.198 nan 8.210 nan 0.000 0.429 627 A N 6.977 129.607 122.820 -0.316 0.000 2.260 627 A HA 0.726 5.045 4.320 -0.000 0.000 0.308 627 A C -1.200 176.325 177.584 -0.099 0.000 1.254 627 A CA -0.181 51.715 52.037 -0.235 0.000 0.874 627 A CB 0.020 18.939 19.000 -0.136 0.000 1.153 627 A HN 0.449 nan 8.150 nan 0.000 0.527 628 F N 2.933 122.939 119.950 0.094 0.000 2.390 628 F HA 0.379 4.906 4.527 -0.000 0.000 0.361 628 F C 0.348 176.214 175.800 0.109 0.000 1.124 628 F CA -0.867 57.209 58.000 0.125 0.000 1.149 628 F CB 0.971 40.026 39.000 0.092 0.000 1.160 628 F HN 0.271 nan 8.300 nan 0.000 0.501 629 V N 2.193 122.176 119.914 0.116 0.000 2.567 629 V HA 0.474 4.594 4.120 -0.000 0.000 0.289 629 V C 0.163 176.245 176.094 -0.020 0.000 1.049 629 V CA -0.636 61.610 62.300 -0.090 0.000 0.969 629 V CB 1.661 33.059 31.823 -0.709 0.000 0.995 629 V HN 0.728 nan 8.190 nan 0.000 0.471 630 S N 4.964 120.684 115.700 0.034 0.000 2.718 630 S HA 0.567 5.037 4.470 -0.000 0.000 0.294 630 S C -0.728 173.875 174.600 0.006 0.000 1.157 630 S CA -0.653 57.562 58.200 0.024 0.000 1.121 630 S CB 0.114 63.372 63.200 0.096 0.000 1.015 630 S HN 0.553 nan 8.310 nan 0.000 0.479 631 L N 4.065 125.270 121.223 -0.029 0.000 2.426 631 L HA 0.350 4.689 4.340 -0.000 0.000 0.271 631 L C 1.124 177.925 176.870 -0.114 0.000 1.169 631 L CA -0.544 54.263 54.840 -0.055 0.000 0.836 631 L CB 0.372 42.374 42.059 -0.095 0.000 1.112 631 L HN 0.489 nan 8.230 nan 0.000 0.465 632 K N 1.965 122.315 120.400 -0.083 0.000 2.542 632 K HA -0.058 4.262 4.320 -0.000 0.000 0.276 632 K C -0.330 176.168 176.600 -0.170 0.000 0.963 632 K CA -0.080 56.157 56.287 -0.083 0.000 0.975 632 K CB 0.275 32.748 32.500 -0.045 0.000 0.901 632 K HN 0.647 nan 8.250 nan 0.000 0.506 633 D N 0.398 120.724 120.400 -0.124 0.000 2.364 633 D HA -0.134 4.506 4.640 -0.000 0.000 0.236 633 D C 0.897 177.136 176.300 -0.101 0.000 1.221 633 D CA 0.201 54.109 54.000 -0.154 0.000 0.891 633 D CB 0.107 40.920 40.800 0.021 0.000 1.190 633 D HN 0.462 nan 8.370 nan 0.000 0.449 634 W N 0.336 121.657 121.300 0.034 0.000 2.402 634 W HA 0.122 4.782 4.660 -0.000 0.000 0.286 634 W C 2.463 178.988 176.519 0.011 0.000 1.221 634 W CA 0.799 58.158 57.345 0.025 0.000 1.257 634 W CB -0.912 28.561 29.460 0.021 0.000 1.120 634 W HN 0.576 nan 8.180 nan 0.000 0.551 635 A N 0.884 123.843 122.820 0.232 0.000 1.902 635 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 635 A C 1.430 179.064 177.584 0.084 0.000 1.181 635 A CA 2.135 54.250 52.037 0.130 0.000 0.623 635 A CB -0.931 18.130 19.000 0.102 0.000 0.818 635 A HN 0.248 nan 8.150 nan 0.000 0.443 636 D N -1.191 119.247 120.400 0.064 0.000 2.347 636 D HA 0.051 4.691 4.640 -0.000 0.000 0.215 636 D C 0.619 176.935 176.300 0.027 0.000 0.976 636 D CA 0.483 54.504 54.000 0.035 0.000 0.884 636 D CB 0.050 40.862 40.800 0.019 0.000 0.915 636 D HN 0.251 nan 8.370 nan 0.000 0.526 637 R N 0.791 121.315 120.500 0.040 0.000 2.233 637 R HA 0.198 4.538 4.340 -0.000 0.000 0.334 637 R C -1.536 174.797 176.300 0.056 0.000 1.037 637 R CA -1.056 55.064 56.100 0.033 0.000 0.920 637 R CB 1.263 31.574 30.300 0.019 0.000 1.137 637 R HN 0.087 nan 8.270 nan 0.000 0.492 638 P HA 0.042 nan 4.420 nan 0.000 0.214 638 P C 0.499 177.819 177.300 0.033 0.000 1.163 638 P CA 0.596 63.718 63.100 0.036 0.000 0.881 638 P CB 0.291 32.004 31.700 0.022 0.000 0.775 639 G N -0.490 108.323 108.800 0.021 0.000 2.535 639 G HA2 0.095 4.055 3.960 -0.000 0.000 0.303 639 G HA3 0.095 4.055 3.960 -0.000 0.000 0.303 639 G C 0.704 175.614 174.900 0.017 0.000 1.237 639 G CA -0.289 44.821 45.100 0.015 0.000 0.986 639 G HN 0.059 nan 8.290 nan 0.000 0.494 640 E N -0.552 119.654 120.200 0.010 0.000 2.150 640 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 640 E C 2.176 178.772 176.600 -0.006 0.000 0.985 640 E CA 0.791 57.195 56.400 0.006 0.000 0.814 640 E CB 0.112 29.813 29.700 0.002 0.000 0.752 640 E HN 0.475 nan 8.360 nan 0.000 0.466 641 E N 0.957 121.152 120.200 -0.009 0.000 2.108 641 E HA -0.199 4.151 4.350 -0.000 0.000 0.203 641 E C 0.977 177.561 176.600 -0.026 0.000 1.022 641 E CA 1.041 57.431 56.400 -0.016 0.000 0.823 641 E CB -0.467 29.225 29.700 -0.013 0.000 0.744 641 E HN 0.194 nan 8.360 nan 0.000 0.456 642 N N 1.121 119.809 118.700 -0.020 0.000 2.575 642 N HA 0.026 4.766 4.740 -0.000 0.000 0.275 642 N C -0.121 175.370 175.510 -0.032 0.000 1.202 642 N CA 0.112 53.144 53.050 -0.031 0.000 0.945 642 N CB 0.515 38.991 38.487 -0.019 0.000 1.247 642 N HN 0.052 nan 8.380 nan 0.000 0.510 643 K N 0.146 120.522 120.400 -0.039 0.000 2.426 643 K HA 0.258 4.578 4.320 -0.000 0.000 0.251 643 K C 0.854 177.398 176.600 -0.093 0.000 0.941 643 K CA -0.438 55.831 56.287 -0.031 0.000 0.808 643 K CB 1.902 34.419 32.500 0.029 0.000 1.265 643 K HN -0.242 nan 8.250 nan 0.000 0.432 644 V N 2.462 122.300 119.914 -0.127 0.000 2.277 644 V HA -0.298 3.822 4.120 -0.000 0.000 0.255 644 V C 2.349 178.315 176.094 -0.213 0.000 1.074 644 V CA 2.268 64.412 62.300 -0.261 0.000 1.058 644 V CB -0.502 31.204 31.823 -0.195 0.000 0.656 644 V HN 0.826 nan 8.190 nan 0.000 0.449 645 E N -0.049 120.091 120.200 -0.100 0.000 2.070 645 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 645 E C 2.319 178.872 176.600 -0.078 0.000 1.004 645 E CA 1.959 58.319 56.400 -0.068 0.000 0.805 645 E CB -0.309 29.375 29.700 -0.028 0.000 0.744 645 E HN 0.606 nan 8.360 nan 0.000 0.451 646 A N 0.552 123.327 122.820 -0.075 0.000 1.929 646 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 646 A C 2.306 179.839 177.584 -0.085 0.000 1.176 646 A CA 0.942 52.941 52.037 -0.063 0.000 0.628 646 A CB -0.454 18.519 19.000 -0.045 0.000 0.816 646 A HN 0.222 nan 8.150 nan 0.000 0.444 647 I N 0.283 120.762 120.570 -0.151 0.000 2.202 647 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 647 I C 2.695 178.699 176.117 -0.187 0.000 1.091 647 I CA 1.800 62.989 61.300 -0.184 0.000 1.368 647 I CB -0.531 37.269 38.000 -0.334 0.000 1.058 647 I HN 0.491 nan 8.210 nan 0.000 0.410 648 T N -1.658 112.731 114.554 -0.276 0.000 3.072 648 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 648 T C 1.830 176.497 174.700 -0.055 0.000 1.127 648 T CA 0.517 62.525 62.100 -0.153 0.000 1.107 648 T CB -0.034 68.741 68.868 -0.155 0.000 0.910 648 T HN 0.100 nan 8.240 nan 0.000 0.513 649 M N 2.241 121.804 119.600 -0.062 0.000 2.098 649 M HA 0.046 4.526 4.480 -0.000 0.000 0.262 649 M C 2.564 178.836 176.300 -0.047 0.000 1.072 649 M CA 1.627 56.906 55.300 -0.036 0.000 1.133 649 M CB -0.495 32.086 32.600 -0.031 0.000 1.344 649 M HN 0.471 nan 8.290 nan 0.000 0.414 650 R N -0.570 119.905 120.500 -0.042 0.000 2.297 650 R HA 0.270 4.609 4.340 -0.000 0.000 0.197 650 R C 1.783 177.957 176.300 -0.211 0.000 0.943 650 R CA 0.822 56.897 56.100 -0.042 0.000 1.038 650 R CB -0.465 29.873 30.300 0.064 0.000 0.957 650 R HN 0.196 nan 8.270 nan 0.000 0.484 651 A N 1.733 124.391 122.820 -0.269 0.000 1.874 651 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 651 A C 2.277 179.384 177.584 -0.796 0.000 1.189 651 A CA 1.523 53.146 52.037 -0.689 0.000 0.615 651 A CB -0.888 18.061 19.000 -0.086 0.000 0.830 651 A HN 0.494 nan 8.150 nan 0.000 0.443 652 T N -1.693 112.718 114.554 -0.238 0.000 2.788 652 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 652 T C 1.985 176.626 174.700 -0.099 0.000 1.044 652 T CA 1.393 63.474 62.100 -0.031 0.000 1.139 652 T CB -0.329 68.606 68.868 0.113 0.000 0.867 652 T HN 0.472 nan 8.240 nan 0.000 0.454 653 R N 1.297 121.704 120.500 -0.155 0.000 2.075 653 R HA 0.104 4.444 4.340 -0.000 0.000 0.232 653 R C 2.722 178.920 176.300 -0.170 0.000 1.126 653 R CA 1.224 57.257 56.100 -0.112 0.000 0.963 653 R CB -0.654 29.599 30.300 -0.078 0.000 0.858 653 R HN 0.484 nan 8.270 nan 0.000 0.435 654 A N 0.080 122.672 122.820 -0.381 0.000 1.930 654 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 654 A C 1.635 179.069 177.584 -0.250 0.000 1.175 654 A CA 0.991 52.787 52.037 -0.402 0.000 0.627 654 A CB -0.421 18.086 19.000 -0.822 0.000 0.815 654 A HN 0.344 nan 8.150 nan 0.000 0.443 655 F N 0.335 120.172 119.950 -0.187 0.000 2.615 655 F HA 0.078 4.605 4.527 -0.000 0.000 0.297 655 F C 2.226 177.956 175.800 -0.117 0.000 1.124 655 F CA 0.655 58.560 58.000 -0.158 0.000 1.451 655 F CB -0.526 38.368 39.000 -0.175 0.000 1.103 655 F HN 0.103 nan 8.300 nan 0.000 0.569 656 S N -1.077 114.659 115.700 0.060 0.000 2.548 656 S HA 0.013 4.483 4.470 -0.000 0.000 0.215 656 S C 1.858 176.466 174.600 0.013 0.000 0.976 656 S CA 0.122 58.340 58.200 0.030 0.000 0.908 656 S CB 0.169 63.393 63.200 0.040 0.000 0.781 656 S HN 0.331 nan 8.310 nan 0.000 0.519 657 Q N 0.959 120.762 119.800 0.005 0.000 2.274 657 Q HA 0.249 4.589 4.340 -0.000 0.000 0.198 657 Q C 1.445 177.451 176.000 0.010 0.000 0.955 657 Q CA 0.756 56.561 55.803 0.003 0.000 0.859 657 Q CB 0.062 28.797 28.738 -0.005 0.000 0.956 657 Q HN 0.670 nan 8.270 nan 0.000 0.516 658 I N -1.683 118.900 120.570 0.020 0.000 3.731 658 I HA 0.428 4.598 4.170 -0.000 0.000 0.341 658 I C -0.330 175.797 176.117 0.017 0.000 1.532 658 I CA -0.263 61.050 61.300 0.022 0.000 1.163 658 I CB 0.262 38.284 38.000 0.036 0.000 1.339 658 I HN -0.191 nan 8.210 nan 0.000 0.449 659 K N 1.079 121.483 120.400 0.007 0.000 2.522 659 K HA 0.431 4.751 4.320 -0.000 0.000 0.275 659 K C -1.070 175.512 176.600 -0.030 0.000 1.006 659 K CA -0.473 55.803 56.287 -0.019 0.000 0.890 659 K CB 1.809 34.292 32.500 -0.028 0.000 1.475 659 K HN 0.323 nan 8.250 nan 0.000 0.441 660 D N -0.773 119.598 120.400 -0.047 0.000 2.636 660 D HA 0.326 4.966 4.640 -0.000 0.000 0.270 660 D C -0.154 176.112 176.300 -0.056 0.000 1.430 660 D CA -0.505 53.469 54.000 -0.043 0.000 0.796 660 D CB 1.115 41.895 40.800 -0.034 0.000 1.117 660 D HN 0.402 nan 8.370 nan 0.000 0.480 661 A N 0.180 122.951 122.820 -0.081 0.000 3.533 661 A HA 0.858 5.178 4.320 -0.000 0.000 0.189 661 A C -0.753 176.752 177.584 -0.131 0.000 1.339 661 A CA -0.538 51.441 52.037 -0.096 0.000 1.552 661 A CB 0.682 19.615 19.000 -0.112 0.000 1.591 661 A HN 0.124 nan 8.150 nan 0.000 0.603 662 M N 0.385 119.868 119.600 -0.194 0.000 2.134 662 M HA 0.468 4.948 4.480 -0.000 0.000 0.249 662 M C -1.714 174.297 176.300 -0.482 0.000 0.955 662 M CA 0.246 55.350 55.300 -0.326 0.000 1.037 662 M CB 1.897 34.358 32.600 -0.231 0.000 2.110 662 M HN 0.280 nan 8.290 nan 0.000 0.449 663 V N 4.005 123.577 119.914 -0.571 0.000 2.735 663 V HA 0.671 4.791 4.120 -0.000 0.000 0.310 663 V C -0.680 175.117 176.094 -0.495 0.000 1.061 663 V CA -0.489 61.507 62.300 -0.506 0.000 0.913 663 V CB 1.949 33.501 31.823 -0.451 0.000 1.005 663 V HN 0.703 nan 8.190 nan 0.000 0.428 664 F N 1.129 121.141 119.950 0.104 0.000 2.355 664 F HA 0.902 5.429 4.527 -0.000 0.000 0.181 664 F C 0.620 176.551 175.800 0.218 0.000 1.400 664 F CA -0.170 57.935 58.000 0.175 0.000 1.204 664 F CB 0.037 39.151 39.000 0.189 0.000 1.887 664 F HN 0.626 nan 8.300 nan 0.000 0.200 665 A N 0.694 123.730 122.820 0.360 0.000 1.674 665 A HA 0.287 4.607 4.320 -0.000 0.000 0.231 665 A C -0.996 176.692 177.584 0.174 0.000 2.725 665 A CA -0.779 51.392 52.037 0.224 0.000 2.103 665 A CB -2.150 17.103 19.000 0.423 0.000 0.287 665 A HN 0.571 nan 8.150 nan 0.000 0.956 666 F N 0.755 120.893 119.950 0.314 0.000 2.380 666 F HA 0.695 5.222 4.527 -0.000 0.000 0.325 666 F C 0.664 176.595 175.800 0.220 0.000 1.136 666 F CA -0.674 57.443 58.000 0.195 0.000 1.171 666 F CB 0.247 39.323 39.000 0.127 0.000 1.230 666 F HN 0.491 nan 8.300 nan 0.000 0.554 667 N N 0.799 119.720 118.700 0.368 0.000 2.294 667 N HA 0.238 4.978 4.740 -0.000 0.000 0.248 667 N C -1.132 174.573 175.510 0.325 0.000 1.300 667 N CA -0.828 52.375 53.050 0.255 0.000 0.925 667 N CB 0.440 39.004 38.487 0.128 0.000 1.188 667 N HN 0.559 nan 8.380 nan 0.000 0.512 668 L N 1.589 122.939 121.223 0.211 0.000 2.371 668 L HA 0.319 4.659 4.340 -0.000 0.000 0.262 668 L C -1.770 175.135 176.870 0.058 0.000 1.054 668 L CA -1.907 53.035 54.840 0.169 0.000 0.924 668 L CB 0.635 42.774 42.059 0.134 0.000 1.295 668 L HN 0.438 nan 8.230 nan 0.000 0.441 669 P HA -0.266 nan 4.420 nan 0.000 0.218 669 P C 0.875 178.122 177.300 -0.088 0.000 1.165 669 P CA 2.594 65.675 63.100 -0.032 0.000 0.922 669 P CB 0.463 32.127 31.700 -0.061 0.000 0.794 670 A N -2.827 119.919 122.820 -0.123 0.000 4.892 670 A HA -0.253 4.067 4.320 -0.000 0.000 0.246 670 A C 0.980 178.371 177.584 -0.322 0.000 2.370 670 A CA 0.383 52.271 52.037 -0.249 0.000 0.714 670 A CB -2.000 16.803 19.000 -0.329 0.000 0.953 670 A HN 0.164 nan 8.150 nan 0.000 0.308 671 I N -2.861 117.405 120.570 -0.507 0.000 4.909 671 I HA -0.287 3.882 4.170 -0.000 0.000 0.038 671 I C 1.217 177.227 176.117 -0.179 0.000 0.635 671 I CA 2.358 63.471 61.300 -0.313 0.000 0.207 671 I CB -1.738 36.159 38.000 -0.172 0.000 0.321 671 I HN 1.715 nan 8.210 nan 0.000 0.152 672 V N -2.039 117.821 119.914 -0.091 0.000 4.306 672 V HA 0.319 4.439 4.120 -0.000 0.000 0.303 672 V C 0.866 176.910 176.094 -0.084 0.000 1.454 672 V CA -0.429 61.824 62.300 -0.078 0.000 0.910 672 V CB 0.841 32.639 31.823 -0.041 0.000 1.241 672 V HN 0.644 nan 8.190 nan 0.000 0.466 673 E N 0.511 120.656 120.200 -0.091 0.000 2.208 673 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 673 E C 0.839 177.401 176.600 -0.062 0.000 0.988 673 E CA 0.726 57.062 56.400 -0.108 0.000 0.828 673 E CB 0.049 29.672 29.700 -0.128 0.000 0.763 673 E HN 0.577 nan 8.360 nan 0.000 0.478 674 L N -2.339 118.871 121.223 -0.021 0.000 2.490 674 L HA 0.540 4.880 4.340 -0.000 0.000 0.245 674 L C 0.960 177.852 176.870 0.036 0.000 1.185 674 L CA 0.151 54.995 54.840 0.005 0.000 0.813 674 L CB 0.395 42.470 42.059 0.028 0.000 1.233 674 L HN 0.137 nan 8.230 nan 0.000 0.489 675 G N -0.258 108.562 108.800 0.032 0.000 2.314 675 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.292 675 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.292 675 G C 0.473 175.434 174.900 0.101 0.000 1.059 675 G CA 0.498 45.639 45.100 0.067 0.000 0.982 675 G HN 0.960 nan 8.290 nan 0.000 0.505 676 T N -0.214 114.358 114.554 0.030 0.000 2.951 676 T HA 0.398 4.748 4.350 -0.000 0.000 0.268 676 T C 1.483 176.197 174.700 0.025 0.000 1.073 676 T CA 1.649 63.756 62.100 0.011 0.000 1.134 676 T CB -0.185 68.661 68.868 -0.037 0.000 0.884 676 T HN 2.371 nan 8.240 nan 0.000 0.479 677 A N 1.521 124.355 122.820 0.024 0.000 2.434 677 A HA 0.177 4.497 4.320 -0.000 0.000 0.686 677 A C 0.915 178.503 177.584 0.007 0.000 0.139 677 A CA 0.828 52.882 52.037 0.027 0.000 0.029 677 A CB -2.165 16.873 19.000 0.063 0.000 3.971 677 A HN 1.780 nan 8.150 nan 0.000 0.548 678 T N -1.303 113.254 114.554 0.006 0.000 3.882 678 T HA 0.313 4.663 4.350 -0.000 0.000 0.366 678 T C 1.310 176.011 174.700 0.001 0.000 0.760 678 T CA 2.083 64.187 62.100 0.007 0.000 1.931 678 T CB -2.235 66.633 68.868 0.000 0.000 1.807 678 T HN 3.088 nan 8.240 nan 0.000 0.790 679 G N 0.459 109.262 108.800 0.005 0.000 2.742 679 G HA2 0.734 4.694 3.960 -0.000 0.000 0.296 679 G HA3 0.734 4.694 3.960 -0.000 0.000 0.296 679 G C -0.957 173.961 174.900 0.030 0.000 1.436 679 G CA -0.568 44.505 45.100 -0.044 0.000 0.928 679 G HN 1.230 nan 8.290 nan 0.000 0.520 680 F N -0.394 119.546 119.950 -0.017 0.000 2.675 680 F HA 0.887 5.414 4.527 -0.000 0.000 0.324 680 F C -1.597 174.269 175.800 0.111 0.000 1.106 680 F CA -1.649 56.369 58.000 0.030 0.000 0.970 680 F CB 2.466 41.524 39.000 0.096 0.000 1.385 680 F HN 0.392 nan 8.300 nan 0.000 0.489 681 D N 1.218 121.955 120.400 0.561 0.000 2.330 681 D HA 0.241 4.881 4.640 -0.000 0.000 0.249 681 D C -1.637 174.985 176.300 0.538 0.000 1.306 681 D CA -0.172 54.054 54.000 0.377 0.000 0.956 681 D CB 0.582 41.465 40.800 0.138 0.000 1.261 681 D HN 0.466 nan 8.370 nan 0.000 0.544 682 F N 2.055 122.207 119.950 0.336 0.000 2.403 682 F HA 0.561 5.088 4.527 -0.000 0.000 0.320 682 F C 0.206 175.851 175.800 -0.258 0.000 1.176 682 F CA -0.253 57.587 58.000 -0.267 0.000 1.206 682 F CB 1.124 39.927 39.000 -0.329 0.000 1.235 682 F HN 0.272 nan 8.300 nan 0.000 0.565 683 E N 2.495 122.029 120.200 -1.109 0.000 2.321 683 E HA 0.444 4.794 4.350 -0.000 0.000 0.278 683 E C -2.314 173.751 176.600 -0.893 0.000 0.902 683 E CA -0.793 55.142 56.400 -0.776 0.000 0.758 683 E CB 1.496 30.761 29.700 -0.726 0.000 1.213 683 E HN 0.485 nan 8.360 nan 0.000 0.426 684 L N 5.756 126.708 121.223 -0.451 0.000 2.298 684 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 684 L C -1.518 175.251 176.870 -0.169 0.000 1.013 684 L CA -0.424 54.258 54.840 -0.264 0.000 0.824 684 L CB 0.750 42.763 42.059 -0.077 0.000 1.221 684 L HN 0.683 nan 8.230 nan 0.000 0.418 685 I N 3.716 124.201 120.570 -0.142 0.000 2.437 685 I HA 0.247 4.416 4.170 -0.000 0.000 0.298 685 I C -0.505 175.592 176.117 -0.033 0.000 0.984 685 I CA -0.530 60.723 61.300 -0.079 0.000 1.214 685 I CB 1.833 39.785 38.000 -0.080 0.000 1.365 685 I HN 0.634 nan 8.210 nan 0.000 0.469 686 D N 4.965 125.356 120.400 -0.016 0.000 2.456 686 D HA 0.120 4.760 4.640 -0.000 0.000 0.219 686 D C 0.512 176.811 176.300 -0.001 0.000 1.126 686 D CA -0.087 53.912 54.000 -0.002 0.000 0.890 686 D CB 1.152 41.955 40.800 0.004 0.000 1.025 686 D HN 0.387 nan 8.370 nan 0.000 0.511 687 Q N 2.773 122.571 119.800 -0.003 0.000 2.096 687 Q HA 0.201 4.541 4.340 -0.000 0.000 0.197 687 Q C 0.806 176.806 176.000 -0.000 0.000 0.964 687 Q CA 0.785 56.585 55.803 -0.005 0.000 0.838 687 Q CB 0.178 28.909 28.738 -0.012 0.000 0.906 687 Q HN 0.619 nan 8.270 nan 0.000 0.444 688 A N -0.862 121.960 122.820 0.004 0.000 2.336 688 A HA 0.527 4.847 4.320 -0.000 0.000 0.278 688 A C 0.897 178.486 177.584 0.008 0.000 1.371 688 A CA 0.033 52.073 52.037 0.006 0.000 0.842 688 A CB -0.385 18.620 19.000 0.008 0.000 1.363 688 A HN 0.387 nan 8.150 nan 0.000 0.517 689 G N -0.342 108.464 108.800 0.010 0.000 3.639 689 G HA2 0.458 4.418 3.960 -0.000 0.000 0.279 689 G HA3 0.458 4.418 3.960 -0.000 0.000 0.279 689 G C 0.226 175.136 174.900 0.016 0.000 1.312 689 G CA -0.294 44.813 45.100 0.012 0.000 1.355 689 G HN 0.463 nan 8.290 nan 0.000 0.595 690 L N -0.690 120.544 121.223 0.019 0.000 2.543 690 L HA 0.786 5.125 4.340 -0.000 0.000 0.231 690 L C 1.149 178.039 176.870 0.034 0.000 1.194 690 L CA -0.787 54.068 54.840 0.026 0.000 0.823 690 L CB 0.227 42.302 42.059 0.027 0.000 1.374 690 L HN 0.140 nan 8.230 nan 0.000 0.507 691 G N -2.680 106.149 108.800 0.048 0.000 3.209 691 G HA2 0.231 4.191 3.960 -0.000 0.000 0.236 691 G HA3 0.231 4.191 3.960 -0.000 0.000 0.236 691 G C 0.107 175.079 174.900 0.120 0.000 1.329 691 G CA -0.200 44.943 45.100 0.072 0.000 1.015 691 G HN 0.644 nan 8.290 nan 0.000 0.571 692 H N 0.388 119.468 119.070 0.017 0.000 2.357 692 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 692 H C 2.490 177.828 175.328 0.016 0.000 1.082 692 H CA 2.160 58.219 56.048 0.019 0.000 1.342 692 H CB 0.077 29.855 29.762 0.026 0.000 1.389 692 H HN 0.640 nan 8.280 nan 0.000 0.511 693 E N 0.742 120.992 120.200 0.084 0.000 2.150 693 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 693 E C 1.681 178.298 176.600 0.029 0.000 0.985 693 E CA 0.988 57.382 56.400 -0.011 0.000 0.814 693 E CB -0.179 29.506 29.700 -0.025 0.000 0.752 693 E HN 0.451 nan 8.360 nan 0.000 0.466 694 K N 0.365 120.797 120.400 0.053 0.000 2.305 694 K HA 0.133 4.453 4.320 -0.000 0.000 0.199 694 K C 2.301 178.931 176.600 0.051 0.000 1.047 694 K CA 0.202 56.514 56.287 0.041 0.000 0.976 694 K CB 0.161 32.682 32.500 0.035 0.000 0.765 694 K HN 0.126 nan 8.250 nan 0.000 0.474 695 L N 0.975 122.245 121.223 0.080 0.000 2.068 695 L HA -0.116 4.224 4.340 -0.000 0.000 0.204 695 L C 2.039 178.955 176.870 0.077 0.000 1.076 695 L CA 1.166 56.049 54.840 0.070 0.000 0.753 695 L CB -0.300 41.798 42.059 0.066 0.000 0.910 695 L HN 0.125 nan 8.230 nan 0.000 0.439 696 T N -0.754 113.874 114.554 0.124 0.000 2.665 696 T HA -0.326 4.024 4.350 -0.000 0.000 0.268 696 T C 1.685 176.409 174.700 0.039 0.000 1.035 696 T CA 1.919 64.076 62.100 0.095 0.000 1.151 696 T CB -0.203 68.713 68.868 0.080 0.000 0.862 696 T HN 0.251 nan 8.240 nan 0.000 0.438 697 Q N 0.919 120.734 119.800 0.025 0.000 2.119 697 Q HA 0.102 4.442 4.340 -0.000 0.000 0.201 697 Q C 2.269 178.277 176.000 0.013 0.000 0.972 697 Q CA 1.587 57.396 55.803 0.009 0.000 0.847 697 Q CB -0.622 28.119 28.738 0.004 0.000 0.903 697 Q HN 0.532 nan 8.270 nan 0.000 0.433 698 A N 0.876 123.709 122.820 0.022 0.000 1.969 698 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 698 A C 2.070 179.666 177.584 0.021 0.000 1.169 698 A CA 1.528 53.578 52.037 0.021 0.000 0.635 698 A CB -0.650 18.366 19.000 0.027 0.000 0.810 698 A HN 0.454 nan 8.150 nan 0.000 0.445 699 R N -0.021 120.495 120.500 0.026 0.000 2.119 699 R HA -0.061 4.278 4.340 -0.000 0.000 0.222 699 R C 1.452 177.761 176.300 0.015 0.000 1.088 699 R CA 1.702 57.819 56.100 0.028 0.000 0.984 699 R CB -0.688 29.633 30.300 0.035 0.000 0.884 699 R HN 0.536 nan 8.270 nan 0.000 0.447 700 N N 0.655 119.361 118.700 0.010 0.000 2.166 700 N HA -0.183 4.556 4.740 -0.000 0.000 0.186 700 N C 1.855 177.361 175.510 -0.007 0.000 1.019 700 N CA 1.446 54.496 53.050 -0.000 0.000 0.856 700 N CB 0.003 38.487 38.487 -0.005 0.000 0.993 700 N HN 0.367 nan 8.380 nan 0.000 0.426 701 Q N 0.067 119.865 119.800 -0.004 0.000 2.172 701 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 701 Q C 1.976 177.963 176.000 -0.022 0.000 0.964 701 Q CA 0.609 56.406 55.803 -0.009 0.000 0.855 701 Q CB 0.132 28.868 28.738 -0.002 0.000 0.918 701 Q HN 0.411 nan 8.270 nan 0.000 0.444 702 L N -0.307 120.902 121.223 -0.024 0.000 2.131 702 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 702 L C 1.645 178.474 176.870 -0.069 0.000 1.087 702 L CA 0.938 55.745 54.840 -0.054 0.000 0.767 702 L CB 0.073 42.111 42.059 -0.036 0.000 0.917 702 L HN 0.210 nan 8.230 nan 0.000 0.441 703 L N -0.405 120.796 121.223 -0.037 0.000 2.313 703 L HA -0.004 4.336 4.340 -0.000 0.000 0.214 703 L C 2.557 179.399 176.870 -0.046 0.000 1.119 703 L CA 0.822 55.641 54.840 -0.035 0.000 0.809 703 L CB -0.656 41.396 42.059 -0.011 0.000 0.933 703 L HN 0.310 nan 8.230 nan 0.000 0.449 704 A N -0.721 122.074 122.820 -0.042 0.000 1.911 704 A HA -0.039 4.281 4.320 -0.000 0.000 0.212 704 A C 2.185 179.735 177.584 -0.057 0.000 1.189 704 A CA 0.533 52.546 52.037 -0.039 0.000 0.639 704 A CB -0.099 18.888 19.000 -0.022 0.000 0.839 704 A HN 0.223 nan 8.150 nan 0.000 0.449 705 E N 0.354 120.514 120.200 -0.066 0.000 2.204 705 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 705 E C 2.194 178.634 176.600 -0.266 0.000 0.989 705 E CA 1.017 57.363 56.400 -0.089 0.000 0.824 705 E CB -0.337 29.342 29.700 -0.036 0.000 0.756 705 E HN 0.568 nan 8.360 nan 0.000 0.477 706 A N 1.313 124.000 122.820 -0.221 0.000 1.898 706 A HA 0.006 4.325 4.320 -0.000 0.000 0.216 706 A C 2.215 179.673 177.584 -0.210 0.000 1.181 706 A CA 1.623 53.509 52.037 -0.251 0.000 0.620 706 A CB -0.215 18.697 19.000 -0.147 0.000 0.819 706 A HN 0.215 nan 8.150 nan 0.000 0.442 707 A N -0.599 122.143 122.820 -0.129 0.000 2.307 707 A HA 0.280 4.599 4.320 -0.000 0.000 0.218 707 A C 1.507 179.052 177.584 -0.064 0.000 1.228 707 A CA 1.047 53.035 52.037 -0.081 0.000 0.857 707 A CB -0.280 18.692 19.000 -0.047 0.000 0.897 707 A HN 0.610 nan 8.150 nan 0.000 0.495 708 K N -0.436 119.915 120.400 -0.082 0.000 2.402 708 K HA 0.093 4.413 4.320 -0.000 0.000 0.203 708 K C 0.492 177.123 176.600 0.051 0.000 1.077 708 K CA 0.546 56.825 56.287 -0.013 0.000 1.051 708 K CB -0.005 32.502 32.500 0.012 0.000 0.907 708 K HN 0.483 nan 8.250 nan 0.000 0.554 709 H N 0.032 119.090 119.070 -0.020 0.000 2.712 709 H HA 0.457 5.013 4.556 -0.000 0.000 0.226 709 H C -2.775 172.541 175.328 -0.020 0.000 1.422 709 H CA -1.476 54.560 56.048 -0.020 0.000 1.270 709 H CB 0.458 30.206 29.762 -0.023 0.000 1.891 709 H HN 0.103 nan 8.280 nan 0.000 0.518 713 L N -0.685 120.541 121.223 0.006 0.000 2.142 713 L HA 0.552 4.892 4.340 -0.000 0.000 0.198 713 L C 0.592 177.463 176.870 0.002 0.000 0.950 713 L CA 0.757 55.597 54.840 -0.000 0.000 2.041 713 L CB -1.473 40.583 42.059 -0.005 0.000 1.839 713 L HN 0.553 nan 8.230 nan 0.000 0.732 714 T N -3.324 111.231 114.554 0.002 0.000 3.142 714 T HA 0.455 4.805 4.350 -0.000 0.000 0.379 714 T C -0.779 173.922 174.700 0.001 0.000 1.820 714 T CA -0.423 61.689 62.100 0.019 0.000 1.086 714 T CB -0.024 68.859 68.868 0.026 0.000 1.723 714 T HN 1.022 nan 8.240 nan 0.000 0.496 715 S N 0.399 116.098 115.700 -0.003 0.000 2.500 715 S HA 0.898 5.368 4.470 -0.000 0.000 0.301 715 S C -0.378 174.193 174.600 -0.048 0.000 1.092 715 S CA -0.613 57.569 58.200 -0.031 0.000 1.030 715 S CB 1.492 64.663 63.200 -0.048 0.000 1.031 715 S HN 1.831 nan 8.310 nan 0.000 0.483 716 V N 0.741 120.632 119.914 -0.038 0.000 2.841 716 V HA 0.946 5.066 4.120 -0.000 0.000 0.310 716 V C -0.994 175.080 176.094 -0.034 0.000 1.090 716 V CA -1.260 61.019 62.300 -0.035 0.000 0.930 716 V CB 1.374 33.206 31.823 0.015 0.000 1.014 716 V HN 1.228 nan 8.190 nan 0.000 0.425 717 R N 3.116 123.592 120.500 -0.040 0.000 2.518 717 R HA 0.626 4.966 4.340 -0.000 0.000 0.287 717 R C -2.872 173.424 176.300 -0.007 0.000 1.135 717 R CA -1.218 54.869 56.100 -0.021 0.000 0.967 717 R CB 1.928 32.206 30.300 -0.037 0.000 1.212 717 R HN 0.433 nan 8.270 nan 0.000 0.422 718 P HA -0.128 nan 4.420 nan 0.000 0.207 718 P C -0.593 176.726 177.300 0.033 0.000 1.212 718 P CA 1.235 64.349 63.100 0.024 0.000 0.914 718 P CB -0.197 31.522 31.700 0.030 0.000 0.750 719 N N -1.454 117.274 118.700 0.048 0.000 2.721 719 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 719 N C 0.534 176.086 175.510 0.070 0.000 1.072 719 N CA 1.213 54.304 53.050 0.068 0.000 0.710 719 N CB -2.280 36.262 38.487 0.092 0.000 0.993 719 N HN 0.442 nan 8.380 nan 0.000 0.547 720 G N -1.827 107.010 108.800 0.061 0.000 2.649 720 G HA2 0.343 4.303 3.960 -0.000 0.000 0.199 720 G HA3 0.343 4.303 3.960 -0.000 0.000 0.199 720 G C 0.883 175.825 174.900 0.069 0.000 1.085 720 G CA 0.169 45.308 45.100 0.065 0.000 0.804 720 G HN 0.215 nan 8.290 nan 0.000 0.671 721 L N 0.216 121.480 121.223 0.068 0.000 2.477 721 L HA 0.309 4.648 4.340 -0.000 0.000 0.220 721 L C 1.977 178.900 176.870 0.088 0.000 1.106 721 L CA 0.329 55.218 54.840 0.083 0.000 0.851 721 L CB 0.120 42.233 42.059 0.090 0.000 0.994 721 L HN 0.044 nan 8.230 nan 0.000 0.462 722 E N 0.660 120.904 120.200 0.073 0.000 2.982 722 E HA -0.388 3.962 4.350 -0.000 0.000 0.237 722 E C 0.277 176.914 176.600 0.061 0.000 1.022 722 E CA 2.358 58.797 56.400 0.065 0.000 1.753 722 E CB -0.404 29.331 29.700 0.059 0.000 1.633 722 E HN 0.540 nan 8.360 nan 0.000 0.393 723 D N -1.918 118.533 120.400 0.085 0.000 4.147 723 D HA -0.089 4.551 4.640 -0.000 0.000 0.239 723 D C -1.091 175.294 176.300 0.143 0.000 1.075 723 D CA 1.034 55.086 54.000 0.087 0.000 1.089 723 D CB -0.781 40.023 40.800 0.007 0.000 0.799 723 D HN 0.334 nan 8.370 nan 0.000 0.371 724 T N 0.722 115.397 114.554 0.202 0.000 2.930 724 T HA 0.910 5.260 4.350 -0.000 0.000 0.290 724 T C -2.742 172.130 174.700 0.286 0.000 1.052 724 T CA -1.782 60.466 62.100 0.246 0.000 1.017 724 T CB 2.457 71.422 68.868 0.162 0.000 1.137 724 T HN -0.015 nan 8.240 nan 0.000 0.511 725 P HA 0.392 nan 4.420 nan 0.000 0.274 725 P C -1.041 176.408 177.300 0.247 0.000 1.256 725 P CA -0.545 62.627 63.100 0.121 0.000 0.795 725 P CB 0.310 32.017 31.700 0.010 0.000 1.038 726 Q N -0.434 119.509 119.800 0.238 0.000 2.340 726 Q HA 0.433 4.772 4.340 -0.000 0.000 0.276 726 Q C -1.554 174.413 176.000 -0.055 0.000 1.048 726 Q CA -0.564 55.307 55.803 0.113 0.000 0.832 726 Q CB 1.795 30.565 28.738 0.054 0.000 1.373 726 Q HN 0.284 nan 8.270 nan 0.000 0.409 727 F N 2.579 122.267 119.950 -0.436 0.000 2.425 727 F HA 0.298 4.825 4.527 -0.000 0.000 0.354 727 F C 0.127 175.654 175.800 -0.455 0.000 1.162 727 F CA -0.543 57.010 58.000 -0.745 0.000 1.250 727 F CB 0.329 38.774 39.000 -0.925 0.000 1.579 727 F HN 0.374 nan 8.300 nan 0.000 0.589 728 K N 4.950 124.998 120.400 -0.587 0.000 2.326 728 K HA 0.389 4.709 4.320 -0.000 0.000 0.275 728 K C -0.748 175.495 176.600 -0.595 0.000 1.018 728 K CA -0.140 55.881 56.287 -0.443 0.000 0.962 728 K CB 0.556 32.889 32.500 -0.279 0.000 0.953 728 K HN 0.624 nan 8.250 nan 0.000 0.475 729 I N 3.871 124.220 120.570 -0.369 0.000 2.495 729 I HA 0.099 4.269 4.170 -0.000 0.000 0.277 729 I C -1.014 175.018 176.117 -0.141 0.000 1.045 729 I CA -0.794 60.337 61.300 -0.281 0.000 1.135 729 I CB 1.587 39.477 38.000 -0.183 0.000 1.241 729 I HN 0.678 nan 8.210 nan 0.000 0.469 730 D N 6.857 127.177 120.400 -0.132 0.000 2.346 730 D HA 0.252 4.892 4.640 -0.000 0.000 0.260 730 D C 0.033 176.320 176.300 -0.021 0.000 1.252 730 D CA 0.307 54.263 54.000 -0.073 0.000 0.895 730 D CB 0.865 41.621 40.800 -0.072 0.000 1.097 730 D HN 0.339 nan 8.370 nan 0.000 0.489 731 I N 2.728 123.292 120.570 -0.010 0.000 2.287 731 I HA 0.095 4.264 4.170 -0.000 0.000 0.290 731 I C 0.188 176.296 176.117 -0.015 0.000 1.069 731 I CA -0.580 60.728 61.300 0.014 0.000 1.237 731 I CB 0.727 38.704 38.000 -0.038 0.000 1.418 731 I HN 0.275 nan 8.210 nan 0.000 0.481 732 D N 5.598 126.007 120.400 0.016 0.000 2.363 732 D HA 0.002 4.642 4.640 -0.000 0.000 0.263 732 D C 1.196 177.481 176.300 -0.026 0.000 1.258 732 D CA 0.307 54.307 54.000 -0.000 0.000 0.907 732 D CB 0.935 41.747 40.800 0.019 0.000 1.107 732 D HN 0.424 nan 8.370 nan 0.000 0.495 733 Q N 2.711 122.483 119.800 -0.047 0.000 2.172 733 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 733 Q C 1.556 177.521 176.000 -0.059 0.000 0.964 733 Q CA 0.892 56.650 55.803 -0.074 0.000 0.855 733 Q CB 0.147 28.845 28.738 -0.065 0.000 0.918 733 Q HN 0.740 nan 8.270 nan 0.000 0.444 734 E N 0.755 120.936 120.200 -0.032 0.000 2.150 734 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 734 E C 1.681 178.275 176.600 -0.011 0.000 0.985 734 E CA 0.692 57.080 56.400 -0.021 0.000 0.814 734 E CB -0.105 29.588 29.700 -0.011 0.000 0.752 734 E HN 0.118 nan 8.360 nan 0.000 0.466 735 K N 0.766 121.169 120.400 0.004 0.000 2.097 735 K HA -0.034 4.285 4.320 -0.000 0.000 0.205 735 K C 2.276 178.897 176.600 0.035 0.000 1.050 735 K CA 1.028 57.337 56.287 0.037 0.000 0.938 735 K CB -0.121 32.425 32.500 0.077 0.000 0.718 735 K HN 0.213 nan 8.250 nan 0.000 0.442 736 A N 2.478 125.274 122.820 -0.039 0.000 1.832 736 A HA -0.215 4.105 4.320 -0.000 0.000 0.214 736 A C 2.158 179.685 177.584 -0.095 0.000 1.200 736 A CA 1.526 53.472 52.037 -0.151 0.000 0.610 736 A CB -0.675 18.109 19.000 -0.360 0.000 0.842 736 A HN 0.452 nan 8.150 nan 0.000 0.444 737 Q N -0.531 119.218 119.800 -0.084 0.000 2.437 737 Q HA 0.069 4.409 4.340 -0.000 0.000 0.210 737 Q C 1.852 177.837 176.000 -0.025 0.000 0.972 737 Q CA 1.175 56.945 55.803 -0.056 0.000 0.903 737 Q CB -0.431 28.276 28.738 -0.052 0.000 0.967 737 Q HN 0.517 nan 8.270 nan 0.000 0.486 738 A N 2.404 125.217 122.820 -0.012 0.000 1.855 738 A HA -0.098 4.221 4.320 -0.000 0.000 0.215 738 A C 2.190 179.782 177.584 0.013 0.000 1.191 738 A CA 1.389 53.428 52.037 0.004 0.000 0.613 738 A CB -0.645 18.363 19.000 0.012 0.000 0.829 738 A HN 0.423 nan 8.150 nan 0.000 0.442 739 L N -2.316 118.923 121.223 0.027 0.000 2.492 739 L HA 0.326 4.666 4.340 -0.000 0.000 0.223 739 L C 1.479 178.368 176.870 0.032 0.000 1.132 739 L CA 0.542 55.407 54.840 0.041 0.000 0.850 739 L CB -0.601 41.504 42.059 0.076 0.000 0.966 739 L HN 0.564 nan 8.230 nan 0.000 0.454 740 G N 0.850 109.656 108.800 0.010 0.000 2.141 740 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.164 740 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.164 740 G C 0.067 174.961 174.900 -0.010 0.000 1.009 740 G CA -0.182 44.918 45.100 0.001 0.000 0.677 740 G HN 0.180 nan 8.290 nan 0.000 0.508 741 V N -1.134 118.757 119.914 -0.039 0.000 2.481 741 V HA 0.841 4.960 4.120 -0.000 0.000 0.286 741 V C 0.921 176.946 176.094 -0.115 0.000 1.042 741 V CA -0.321 61.935 62.300 -0.074 0.000 0.928 741 V CB 1.530 33.274 31.823 -0.132 0.000 0.986 741 V HN 0.550 nan 8.190 nan 0.000 0.462 742 S N 2.081 117.730 115.700 -0.085 0.000 2.580 742 S HA 0.439 4.909 4.470 -0.000 0.000 0.274 742 S C 0.920 175.444 174.600 -0.128 0.000 1.329 742 S CA -0.493 57.656 58.200 -0.084 0.000 1.036 742 S CB 0.508 63.681 63.200 -0.045 0.000 0.919 742 S HN 0.630 nan 8.310 nan 0.000 0.515 743 I N 3.842 124.339 120.570 -0.122 0.000 2.928 743 I HA -0.038 4.132 4.170 -0.000 0.000 0.266 743 I C 2.002 178.069 176.117 -0.084 0.000 1.234 743 I CA 0.365 61.582 61.300 -0.138 0.000 1.483 743 I CB -0.331 37.598 38.000 -0.118 0.000 1.097 743 I HN 0.509 nan 8.210 nan 0.000 0.455 744 N N 1.165 119.834 118.700 -0.052 0.000 2.028 744 N HA -0.189 4.551 4.740 -0.000 0.000 0.194 744 N C 1.521 177.025 175.510 -0.009 0.000 1.050 744 N CA 1.601 54.638 53.050 -0.021 0.000 0.848 744 N CB -0.549 37.931 38.487 -0.011 0.000 1.038 744 N HN 0.334 nan 8.380 nan 0.000 0.423 745 D N 0.940 121.334 120.400 -0.010 0.000 2.170 745 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 745 D C 2.049 178.372 176.300 0.038 0.000 1.004 745 D CA 0.958 54.969 54.000 0.019 0.000 0.860 745 D CB -0.154 40.657 40.800 0.018 0.000 0.931 745 D HN 0.293 nan 8.370 nan 0.000 0.448 746 I N 1.201 121.755 120.570 -0.027 0.000 2.252 746 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 746 I C 2.056 178.229 176.117 0.094 0.000 1.102 746 I CA 0.706 61.993 61.300 -0.022 0.000 1.385 746 I CB -0.186 37.630 38.000 -0.307 0.000 1.064 746 I HN -0.063 nan 8.210 nan 0.000 0.414 747 N N 0.021 118.741 118.700 0.034 0.000 2.309 747 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 747 N C 1.901 177.451 175.510 0.067 0.000 1.018 747 N CA 1.808 54.889 53.050 0.053 0.000 0.876 747 N CB -0.386 38.114 38.487 0.021 0.000 0.972 747 N HN 0.365 nan 8.380 nan 0.000 0.434 748 T N -1.589 113.003 114.554 0.064 0.000 3.107 748 T HA 0.093 4.443 4.350 -0.000 0.000 0.249 748 T C 1.471 176.204 174.700 0.056 0.000 1.096 748 T CA 0.628 62.763 62.100 0.058 0.000 1.012 748 T CB -0.041 68.856 68.868 0.049 0.000 0.977 748 T HN 0.016 nan 8.240 nan 0.000 0.527 749 T N 1.815 116.426 114.554 0.096 0.000 2.852 749 T HA 0.157 4.507 4.350 -0.000 0.000 0.256 749 T C 1.633 176.294 174.700 -0.066 0.000 1.038 749 T CA 0.888 63.035 62.100 0.077 0.000 1.141 749 T CB -0.341 68.696 68.868 0.282 0.000 0.869 749 T HN 0.255 nan 8.240 nan 0.000 0.439 750 L N 1.312 122.570 121.223 0.058 0.000 2.217 750 L HA 0.241 4.581 4.340 -0.000 0.000 0.211 750 L C 2.304 179.180 176.870 0.011 0.000 1.107 750 L CA 1.495 56.314 54.840 -0.035 0.000 0.783 750 L CB -0.789 41.300 42.059 0.052 0.000 0.919 750 L HN 0.299 nan 8.230 nan 0.000 0.442 751 G N -1.447 107.366 108.800 0.023 0.000 2.411 751 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.213 751 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.213 751 G C 1.406 176.333 174.900 0.045 0.000 1.166 751 G CA 0.409 45.531 45.100 0.036 0.000 0.802 751 G HN 0.495 nan 8.290 nan 0.000 0.533 752 A N 0.238 123.067 122.820 0.016 0.000 2.251 752 A HA 0.674 4.994 4.320 -0.000 0.000 0.209 752 A C 2.263 179.818 177.584 -0.050 0.000 1.187 752 A CA 1.425 53.470 52.037 0.014 0.000 0.823 752 A CB -0.131 18.880 19.000 0.018 0.000 0.846 752 A HN 0.525 nan 8.150 nan 0.000 0.486 753 A N -1.255 121.463 122.820 -0.171 0.000 1.909 753 A HA 0.232 4.551 4.320 -0.000 0.000 0.209 753 A C 1.754 179.178 177.584 -0.266 0.000 1.247 753 A CA 0.711 52.502 52.037 -0.410 0.000 0.660 753 A CB -0.557 17.686 19.000 -1.263 0.000 0.910 753 A HN 0.589 nan 8.150 nan 0.000 0.465 754 W N -0.262 120.901 121.300 -0.229 0.000 2.526 754 W HA 0.235 4.895 4.660 -0.000 0.000 0.294 754 W C 2.397 178.895 176.519 -0.034 0.000 1.181 754 W CA 1.056 58.336 57.345 -0.109 0.000 1.373 754 W CB -0.469 28.903 29.460 -0.146 0.000 1.112 754 W HN 0.338 nan 8.180 nan 0.000 0.545 755 G N -0.671 108.244 108.800 0.191 0.000 2.662 755 G HA2 0.400 4.360 3.960 -0.000 0.000 0.212 755 G HA3 0.400 4.360 3.960 -0.000 0.000 0.212 755 G C 0.655 175.632 174.900 0.128 0.000 1.141 755 G CA 0.467 45.644 45.100 0.129 0.000 0.797 755 G HN 0.471 nan 8.290 nan 0.000 0.531 756 G N -1.107 107.771 108.800 0.131 0.000 2.712 756 G HA2 0.318 4.278 3.960 -0.000 0.000 0.686 756 G HA3 0.318 4.278 3.960 -0.000 0.000 0.686 756 G C -0.294 174.739 174.900 0.221 0.000 1.321 756 G CA 0.187 45.394 45.100 0.179 0.000 0.813 756 G HN 1.577 nan 8.290 nan 0.000 0.599 757 S N -0.176 115.678 115.700 0.256 0.000 2.668 757 S HA 0.547 5.017 4.470 -0.000 0.000 0.277 757 S C -0.719 173.916 174.600 0.058 0.000 1.170 757 S CA -0.337 57.974 58.200 0.186 0.000 0.994 757 S CB 1.354 64.611 63.200 0.095 0.000 1.051 757 S HN 1.885 nan 8.310 nan 0.000 0.484 758 Y N 5.933 126.138 120.300 -0.158 0.000 2.637 758 Y HA 0.365 4.915 4.550 -0.000 0.000 0.350 758 Y C 0.751 176.491 175.900 -0.268 0.000 1.069 758 Y CA 0.298 58.078 58.100 -0.534 0.000 1.397 758 Y CB 0.249 38.474 38.460 -0.392 0.000 1.163 758 Y HN 0.551 nan 8.280 nan 0.000 0.527 759 V N 4.597 124.118 119.914 -0.656 0.000 2.391 759 V HA 0.053 4.173 4.120 -0.000 0.000 0.237 759 V C 0.299 176.073 176.094 -0.533 0.000 1.046 759 V CA 1.012 63.055 62.300 -0.429 0.000 1.053 759 V CB -0.562 31.106 31.823 -0.259 0.000 0.704 759 V HN 0.771 nan 8.190 nan 0.000 0.475 760 N N -1.447 116.879 118.700 -0.623 0.000 3.043 760 N HA 0.202 4.942 4.740 -0.000 0.000 0.243 760 N C -2.145 173.218 175.510 -0.246 0.000 1.347 760 N CA -0.547 52.277 53.050 -0.378 0.000 0.896 760 N CB 1.695 40.090 38.487 -0.153 0.000 1.501 760 N HN 0.077 nan 8.380 nan 0.000 0.504 761 D N 1.123 121.488 120.400 -0.058 0.000 2.225 761 D HA 0.394 5.034 4.640 -0.000 0.000 0.249 761 D C -0.498 175.948 176.300 0.243 0.000 1.052 761 D CA 0.152 54.219 54.000 0.113 0.000 0.909 761 D CB 0.980 41.843 40.800 0.106 0.000 1.186 761 D HN 0.433 nan 8.370 nan 0.000 0.431 762 F N -0.753 119.233 119.950 0.059 0.000 2.876 762 F HA 0.728 5.254 4.527 -0.000 0.000 0.358 762 F C -1.358 174.491 175.800 0.082 0.000 1.209 762 F CA -1.111 56.956 58.000 0.112 0.000 1.051 762 F CB 1.011 40.158 39.000 0.245 0.000 1.474 762 F HN 0.080 nan 8.300 nan 0.000 0.521 763 I N 1.281 121.576 120.570 -0.459 0.000 2.468 763 I HA 0.247 4.416 4.170 -0.000 0.000 0.285 763 I C -1.731 174.070 176.117 -0.526 0.000 1.039 763 I CA -0.140 60.857 61.300 -0.505 0.000 1.074 763 I CB 1.673 39.584 38.000 -0.149 0.000 1.228 763 I HN 0.595 nan 8.210 nan 0.000 0.436 764 D N 6.329 126.363 120.400 -0.609 0.000 2.441 764 D HA 0.408 5.048 4.640 -0.000 0.000 0.231 764 D C 0.403 176.661 176.300 -0.070 0.000 1.073 764 D CA -0.304 53.581 54.000 -0.192 0.000 0.850 764 D CB 0.664 41.420 40.800 -0.073 0.000 1.062 764 D HN 0.433 nan 8.370 nan 0.000 0.524 765 R N 3.146 123.643 120.500 -0.006 0.000 3.531 765 R HA -0.220 4.120 4.340 -0.000 0.000 0.280 765 R C 0.967 177.263 176.300 -0.007 0.000 1.130 765 R CA 0.922 57.032 56.100 0.018 0.000 0.757 765 R CB -1.500 28.834 30.300 0.056 0.000 1.218 765 R HN 0.947 nan 8.270 nan 0.000 0.454 766 G N -0.576 108.203 108.800 -0.034 0.000 2.399 766 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.216 766 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.216 766 G C 0.130 174.992 174.900 -0.064 0.000 1.096 766 G CA 0.239 45.316 45.100 -0.039 0.000 0.650 766 G HN 0.387 nan 8.290 nan 0.000 0.512 767 R N 0.831 121.285 120.500 -0.077 0.000 2.308 767 R HA 0.538 4.878 4.340 -0.000 0.000 0.305 767 R C 0.286 176.495 176.300 -0.151 0.000 1.053 767 R CA -0.116 55.932 56.100 -0.087 0.000 0.957 767 R CB 1.435 31.698 30.300 -0.062 0.000 1.022 767 R HN 0.383 nan 8.270 nan 0.000 0.461 768 V N 6.034 125.874 119.914 -0.124 0.000 2.479 768 V HA 0.115 4.235 4.120 -0.000 0.000 0.281 768 V C -0.410 175.613 176.094 -0.119 0.000 1.031 768 V CA 0.610 62.821 62.300 -0.148 0.000 1.038 768 V CB 0.185 31.969 31.823 -0.065 0.000 0.981 768 V HN 0.775 nan 8.190 nan 0.000 0.478 769 K N 5.432 125.709 120.400 -0.205 0.000 2.296 769 K HA 0.646 4.966 4.320 -0.000 0.000 0.243 769 K C -1.011 175.712 176.600 0.205 0.000 1.082 769 K CA -1.151 55.137 56.287 0.002 0.000 0.929 769 K CB 1.508 34.028 32.500 0.033 0.000 1.353 769 K HN 0.517 nan 8.250 nan 0.000 0.536 770 K N 0.725 121.347 120.400 0.369 0.000 2.221 770 K HA 0.498 4.818 4.320 -0.000 0.000 0.243 770 K C -0.927 175.839 176.600 0.276 0.000 0.968 770 K CA -0.892 55.612 56.287 0.362 0.000 0.846 770 K CB 1.962 34.729 32.500 0.444 0.000 1.141 770 K HN 0.141 nan 8.250 nan 0.000 0.434 771 V N 2.388 122.284 119.914 -0.030 0.000 2.417 771 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 771 V C -1.221 174.689 176.094 -0.306 0.000 1.024 771 V CA -0.801 61.353 62.300 -0.243 0.000 0.861 771 V CB 0.484 32.137 31.823 -0.284 0.000 0.985 771 V HN 0.592 nan 8.190 nan 0.000 0.436 772 Y N 2.639 122.821 120.300 -0.196 0.000 2.485 772 Y HA 0.740 5.290 4.550 -0.000 0.000 0.345 772 Y C -0.116 175.649 175.900 -0.224 0.000 0.998 772 Y CA -0.750 57.267 58.100 -0.139 0.000 1.059 772 Y CB 2.423 40.840 38.460 -0.072 0.000 1.234 772 Y HN 0.362 nan 8.280 nan 0.000 0.461 773 V N 4.661 124.590 119.914 0.024 0.000 2.577 773 V HA 0.424 4.544 4.120 -0.000 0.000 0.303 773 V C -0.411 175.696 176.094 0.020 0.000 1.042 773 V CA -0.281 61.992 62.300 -0.046 0.000 0.872 773 V CB 1.676 33.475 31.823 -0.041 0.000 0.998 773 V HN 1.035 nan 8.190 nan 0.000 0.423 774 M N 2.944 122.548 119.600 0.007 0.000 2.183 774 M HA 0.538 5.017 4.480 -0.000 0.000 0.239 774 M C -1.058 175.345 176.300 0.172 0.000 2.194 774 M CA 0.165 55.520 55.300 0.092 0.000 1.129 774 M CB 1.924 34.617 32.600 0.155 0.000 1.897 774 M HN 0.657 nan 8.290 nan 0.000 0.656 775 S N 0.088 115.991 115.700 0.338 0.000 2.614 775 S HA 0.231 4.701 4.470 -0.000 0.000 0.280 775 S C -1.761 173.090 174.600 0.419 0.000 1.111 775 S CA -1.035 57.395 58.200 0.382 0.000 0.847 775 S CB 1.205 64.623 63.200 0.364 0.000 1.079 775 S HN 0.471 nan 8.310 nan 0.000 0.452 776 E N 0.761 121.165 120.200 0.341 0.000 2.452 776 E HA 0.159 4.509 4.350 -0.000 0.000 0.261 776 E C 1.372 177.958 176.600 -0.024 0.000 0.987 776 E CA 0.371 56.841 56.400 0.117 0.000 0.926 776 E CB 0.620 30.444 29.700 0.208 0.000 0.934 776 E HN 0.732 nan 8.360 nan 0.000 0.452 777 A N 4.914 127.583 122.820 -0.251 0.000 1.940 777 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 777 A C 1.915 179.355 177.584 -0.239 0.000 1.176 777 A CA 2.018 53.902 52.037 -0.255 0.000 0.631 777 A CB -0.391 18.412 19.000 -0.328 0.000 0.814 777 A HN 0.706 nan 8.150 nan 0.000 0.446 778 K N -1.533 118.670 120.400 -0.328 0.000 2.362 778 K HA -0.109 4.211 4.320 -0.000 0.000 0.200 778 K C 0.589 176.901 176.600 -0.479 0.000 1.046 778 K CA 1.291 57.323 56.287 -0.425 0.000 0.952 778 K CB -0.399 31.779 32.500 -0.538 0.000 0.753 778 K HN 0.559 nan 8.250 nan 0.000 0.466 779 Y N 2.091 122.282 120.300 -0.181 0.000 2.537 779 Y HA 0.197 4.747 4.550 -0.000 0.000 0.303 779 Y C 0.013 175.725 175.900 -0.313 0.000 1.176 779 Y CA -0.611 57.360 58.100 -0.214 0.000 1.273 779 Y CB 0.267 38.558 38.460 -0.282 0.000 1.110 779 Y HN 0.143 nan 8.280 nan 0.000 0.518 780 R N -1.885 118.429 120.500 -0.310 0.000 2.584 780 R HA 0.253 4.593 4.340 -0.000 0.000 0.218 780 R C -0.583 175.604 176.300 -0.188 0.000 1.396 780 R CA -0.049 55.593 56.100 -0.764 0.000 1.436 780 R CB -0.595 28.987 30.300 -1.196 0.000 1.468 780 R HN 0.083 nan 8.270 nan 0.000 0.776 781 M N 0.272 119.864 119.600 -0.013 0.000 2.669 781 M HA 0.336 4.816 4.480 -0.000 0.000 0.248 781 M C 0.248 176.603 176.300 0.091 0.000 1.382 781 M CA 0.653 55.974 55.300 0.035 0.000 1.158 781 M CB -0.105 32.470 32.600 -0.040 0.000 1.371 781 M HN 0.300 nan 8.290 nan 0.000 0.540 782 L N -2.002 119.282 121.223 0.101 0.000 2.230 782 L HA 0.476 4.816 4.340 -0.000 0.000 0.255 782 L C -1.784 175.059 176.870 -0.044 0.000 1.039 782 L CA -1.845 53.011 54.840 0.026 0.000 0.846 782 L CB -0.227 41.844 42.059 0.020 0.000 1.419 782 L HN -0.234 nan 8.230 nan 0.000 0.435 783 P HA -0.099 nan 4.420 nan 0.000 0.218 783 P C 0.237 177.515 177.300 -0.037 0.000 1.148 783 P CA 1.192 64.032 63.100 -0.433 0.000 0.822 783 P CB 0.099 31.638 31.700 -0.269 0.000 0.784 784 D N -1.196 119.233 120.400 0.048 0.000 2.348 784 D HA -0.086 4.553 4.640 -0.000 0.000 0.216 784 D C 0.955 177.332 176.300 0.128 0.000 0.970 784 D CA 0.699 54.753 54.000 0.090 0.000 0.889 784 D CB -0.437 40.404 40.800 0.068 0.000 0.912 784 D HN 0.191 nan 8.370 nan 0.000 0.524 785 D N 0.152 120.672 120.400 0.200 0.000 2.349 785 D HA -0.010 4.630 4.640 -0.000 0.000 0.224 785 D C 1.798 178.382 176.300 0.474 0.000 1.029 785 D CA 0.068 54.233 54.000 0.276 0.000 0.879 785 D CB 0.345 41.303 40.800 0.263 0.000 0.906 785 D HN 0.242 nan 8.370 nan 0.000 0.528 786 I N 0.869 121.673 120.570 0.390 0.000 2.252 786 I HA -0.114 4.055 4.170 -0.000 0.000 0.245 786 I C 2.437 178.677 176.117 0.206 0.000 1.102 786 I CA 1.069 62.547 61.300 0.296 0.000 1.385 786 I CB -1.228 36.832 38.000 0.101 0.000 1.064 786 I HN 0.005 nan 8.210 nan 0.000 0.414 787 G N 0.328 109.205 108.800 0.129 0.000 2.598 787 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 787 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 787 G C 1.065 175.864 174.900 -0.168 0.000 1.131 787 G CA 0.266 45.373 45.100 0.010 0.000 0.785 787 G HN 0.306 nan 8.290 nan 0.000 0.539 788 D N -0.189 120.150 120.400 -0.101 0.000 2.269 788 D HA -0.010 4.630 4.640 -0.000 0.000 0.208 788 D C 0.317 176.334 176.300 -0.472 0.000 0.963 788 D CA 0.201 54.041 54.000 -0.267 0.000 0.864 788 D CB -0.003 40.661 40.800 -0.228 0.000 0.936 788 D HN 0.454 nan 8.370 nan 0.000 0.505 789 W N 0.446 121.604 121.300 -0.237 0.000 2.322 789 W HA 0.336 4.996 4.660 -0.000 0.000 0.307 789 W C -0.467 175.991 176.519 -0.102 0.000 1.220 789 W CA -0.622 56.661 57.345 -0.103 0.000 1.210 789 W CB 0.222 29.630 29.460 -0.087 0.000 1.223 789 W HN -0.164 nan 8.180 nan 0.000 0.511 790 Y N 2.822 123.348 120.300 0.376 0.000 2.328 790 Y HA 0.429 4.979 4.550 -0.000 0.000 0.333 790 Y C 0.380 176.478 175.900 0.330 0.000 0.958 790 Y CA -1.287 56.998 58.100 0.307 0.000 1.167 790 Y CB 0.609 39.164 38.460 0.159 0.000 1.151 790 Y HN 0.046 nan 8.280 nan 0.000 0.470 791 V N 2.902 123.101 119.914 0.476 0.000 2.953 791 V HA 0.371 4.491 4.120 -0.000 0.000 0.304 791 V C 0.114 176.366 176.094 0.264 0.000 1.073 791 V CA -1.094 61.419 62.300 0.356 0.000 1.064 791 V CB 1.296 33.304 31.823 0.308 0.000 1.047 791 V HN 0.697 nan 8.190 nan 0.000 0.478 792 R N 1.688 122.300 120.500 0.187 0.000 2.265 792 R HA 0.654 4.994 4.340 -0.000 0.000 0.319 792 R C -0.356 176.002 176.300 0.096 0.000 1.006 792 R CA -0.068 56.113 56.100 0.134 0.000 0.880 792 R CB 1.023 31.387 30.300 0.108 0.000 1.077 792 R HN 0.969 nan 8.270 nan 0.000 0.454 793 A N 3.568 126.440 122.820 0.086 0.000 2.305 793 A HA 0.564 4.884 4.320 -0.000 0.000 0.322 793 A C 1.214 178.823 177.584 0.041 0.000 1.187 793 A CA -0.060 52.011 52.037 0.056 0.000 0.825 793 A CB 1.082 20.119 19.000 0.063 0.000 1.164 793 A HN 1.077 nan 8.150 nan 0.000 0.498 794 A N 1.929 124.764 122.820 0.026 0.000 1.836 794 A HA -0.352 3.968 4.320 -0.000 0.000 0.269 794 A C 1.543 179.140 177.584 0.022 0.000 2.597 794 A CA 2.693 54.741 52.037 0.019 0.000 0.810 794 A CB -1.218 17.789 19.000 0.011 0.000 0.833 794 A HN 1.054 nan 8.150 nan 0.000 0.542 795 D N -1.434 118.980 120.400 0.024 0.000 2.338 795 D HA 0.271 4.911 4.640 -0.000 0.000 0.239 795 D C 1.178 177.492 176.300 0.024 0.000 1.095 795 D CA 1.256 55.269 54.000 0.021 0.000 0.888 795 D CB -0.510 40.303 40.800 0.020 0.000 0.899 795 D HN 1.343 nan 8.370 nan 0.000 0.525 796 G N 1.163 109.980 108.800 0.029 0.000 2.225 796 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 796 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 796 G C 0.252 175.171 174.900 0.032 0.000 0.988 796 G CA 0.469 45.587 45.100 0.029 0.000 0.625 796 G HN 0.691 nan 8.290 nan 0.000 0.527 797 Q N -0.133 119.688 119.800 0.035 0.000 2.205 797 Q HA 0.824 5.163 4.340 -0.000 0.000 0.249 797 Q C 0.261 176.297 176.000 0.059 0.000 0.948 797 Q CA -0.951 54.873 55.803 0.034 0.000 0.895 797 Q CB 1.062 29.817 28.738 0.029 0.000 1.249 797 Q HN 0.228 nan 8.270 nan 0.000 0.458 798 M N 1.422 121.053 119.600 0.052 0.000 2.247 798 M HA 0.413 4.893 4.480 -0.000 0.000 0.326 798 M C -1.341 175.057 176.300 0.164 0.000 1.134 798 M CA -0.241 55.121 55.300 0.103 0.000 1.136 798 M CB 1.820 34.432 32.600 0.020 0.000 1.454 798 M HN 0.584 nan 8.290 nan 0.000 0.467 799 V N 3.825 123.903 119.914 0.273 0.000 2.655 799 V HA 0.495 4.615 4.120 -0.000 0.000 0.301 799 V C -2.419 173.861 176.094 0.310 0.000 1.082 799 V CA -1.342 61.118 62.300 0.267 0.000 0.899 799 V CB 1.752 33.724 31.823 0.248 0.000 1.014 799 V HN 0.746 nan 8.190 nan 0.000 0.429 800 P HA 0.309 nan 4.420 nan 0.000 0.274 800 P C 0.590 177.714 177.300 -0.294 0.000 1.256 800 P CA -0.224 62.833 63.100 -0.072 0.000 0.795 800 P CB 1.285 32.938 31.700 -0.079 0.000 1.038 801 F N 0.451 120.150 119.950 -0.418 0.000 2.206 801 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 801 F C 2.667 178.074 175.800 -0.654 0.000 1.090 801 F CA 1.970 59.613 58.000 -0.595 0.000 1.323 801 F CB -0.383 38.534 39.000 -0.138 0.000 1.028 801 F HN 0.275 nan 8.300 nan 0.000 0.492 802 S N 0.191 115.773 115.700 -0.197 0.000 2.440 802 S HA -0.236 4.234 4.470 -0.000 0.000 0.238 802 S C 2.139 176.601 174.600 -0.229 0.000 1.010 802 S CA 0.758 58.867 58.200 -0.153 0.000 0.972 802 S CB -0.906 62.256 63.200 -0.063 0.000 0.774 802 S HN 0.322 nan 8.310 nan 0.000 0.501 803 A N 2.198 124.797 122.820 -0.368 0.000 1.851 803 A HA 0.067 4.386 4.320 -0.000 0.000 0.216 803 A C 2.022 179.487 177.584 -0.199 0.000 1.195 803 A CA 1.650 53.532 52.037 -0.260 0.000 0.622 803 A CB -0.952 17.920 19.000 -0.214 0.000 0.831 803 A HN 0.821 nan 8.150 nan 0.000 0.444 804 F N -0.083 119.826 119.950 -0.070 0.000 2.559 804 F HA 0.264 4.791 4.527 -0.000 0.000 0.286 804 F C 1.424 177.171 175.800 -0.088 0.000 1.108 804 F CA 0.053 57.998 58.000 -0.092 0.000 1.436 804 F CB -0.790 38.126 39.000 -0.140 0.000 1.130 804 F HN 0.157 nan 8.300 nan 0.000 0.584 805 S N 0.974 116.657 115.700 -0.028 0.000 2.617 805 S HA 0.481 4.951 4.470 -0.000 0.000 0.259 805 S C 0.086 174.684 174.600 -0.003 0.000 1.301 805 S CA 0.032 58.269 58.200 0.061 0.000 0.984 805 S CB 1.256 64.525 63.200 0.114 0.000 0.954 805 S HN 0.534 nan 8.310 nan 0.000 0.572 806 S N 0.401 116.086 115.700 -0.026 0.000 2.652 806 S HA 0.463 4.933 4.470 -0.000 0.000 0.273 806 S C -0.726 173.784 174.600 -0.150 0.000 1.172 806 S CA -0.411 57.751 58.200 -0.062 0.000 1.009 806 S CB 0.628 63.798 63.200 -0.050 0.000 1.094 806 S HN 1.466 nan 8.310 nan 0.000 0.471 807 S N 4.312 119.921 115.700 -0.151 0.000 2.537 807 S HA 0.859 5.329 4.470 -0.000 0.000 0.275 807 S C -0.198 174.226 174.600 -0.293 0.000 1.272 807 S CA -0.758 57.246 58.200 -0.326 0.000 1.050 807 S CB 0.513 63.673 63.200 -0.066 0.000 0.961 807 S HN 1.163 nan 8.310 nan 0.000 0.496 808 R N 1.333 121.520 120.500 -0.522 0.000 2.644 808 R HA 0.352 4.691 4.340 -0.000 0.000 0.257 808 R C -2.009 174.074 176.300 -0.363 0.000 1.082 808 R CA -0.940 55.003 56.100 -0.261 0.000 0.927 808 R CB 0.092 30.313 30.300 -0.132 0.000 1.258 808 R HN 0.603 nan 8.270 nan 0.000 0.459 809 W N 1.326 122.546 121.300 -0.132 0.000 2.253 809 W HA 0.538 5.198 4.660 -0.000 0.000 0.348 809 W C 0.267 176.700 176.519 -0.144 0.000 1.229 809 W CA 0.227 57.507 57.345 -0.108 0.000 1.335 809 W CB 0.886 30.303 29.460 -0.071 0.000 1.165 809 W HN 0.633 nan 8.180 nan 0.000 0.631 810 E N 0.566 120.824 120.200 0.095 0.000 2.422 810 E HA 0.120 4.470 4.350 -0.000 0.000 0.289 810 E C -2.011 174.590 176.600 0.002 0.000 0.985 810 E CA -0.794 55.613 56.400 0.010 0.000 0.812 810 E CB 1.024 30.717 29.700 -0.011 0.000 1.226 810 E HN 0.317 nan 8.360 nan 0.000 0.419 811 Y N 1.341 121.682 120.300 0.068 0.000 2.359 811 Y HA 0.546 5.096 4.550 -0.000 0.000 0.334 811 Y C 0.825 176.729 175.900 0.007 0.000 1.058 811 Y CA 0.842 58.968 58.100 0.044 0.000 1.244 811 Y CB 1.694 40.160 38.460 0.011 0.000 1.187 811 Y HN 0.603 nan 8.280 nan 0.000 0.510 812 G N 0.673 109.605 108.800 0.221 0.000 3.135 812 G HA2 0.523 4.483 3.960 -0.000 0.000 0.278 812 G HA3 0.523 4.483 3.960 -0.000 0.000 0.278 812 G C -1.384 173.605 174.900 0.148 0.000 1.302 812 G CA -0.861 44.316 45.100 0.127 0.000 0.880 812 G HN 0.463 nan 8.290 nan 0.000 0.574 813 S N -0.054 115.758 115.700 0.186 0.000 2.571 813 S HA 0.633 5.103 4.470 -0.000 0.000 0.284 813 S C -2.326 172.372 174.600 0.164 0.000 1.128 813 S CA -1.316 57.016 58.200 0.221 0.000 0.970 813 S CB 2.442 65.907 63.200 0.441 0.000 1.039 813 S HN 0.331 nan 8.310 nan 0.000 0.485 814 P HA 0.236 nan 4.420 nan 0.000 0.256 814 P C -0.197 177.158 177.300 0.091 0.000 1.384 814 P CA 0.040 63.203 63.100 0.105 0.000 0.879 814 P CB -0.269 31.491 31.700 0.100 0.000 1.403 815 R N 0.567 121.122 120.500 0.091 0.000 3.101 815 R HA 0.298 4.638 4.340 -0.000 0.000 0.242 815 R C -1.169 175.153 176.300 0.036 0.000 1.831 815 R CA -0.262 55.878 56.100 0.067 0.000 1.321 815 R CB -0.516 29.827 30.300 0.071 0.000 1.512 815 R HN -0.079 nan 8.270 nan 0.000 0.568 816 L N 3.621 124.853 121.223 0.016 0.000 2.325 816 L HA 0.326 4.666 4.340 -0.000 0.000 0.284 816 L C 0.039 176.892 176.870 -0.028 0.000 1.089 816 L CA 0.013 54.823 54.840 -0.050 0.000 0.836 816 L CB 0.912 42.946 42.059 -0.043 0.000 1.184 816 L HN 0.496 nan 8.230 nan 0.000 0.444 817 E N 4.281 124.457 120.200 -0.041 0.000 2.222 817 E HA 0.633 4.982 4.350 -0.000 0.000 0.272 817 E C -0.818 175.774 176.600 -0.013 0.000 0.982 817 E CA -0.864 55.531 56.400 -0.008 0.000 0.842 817 E CB 1.432 31.135 29.700 0.005 0.000 1.144 817 E HN 0.409 nan 8.360 nan 0.000 0.397 818 R N 1.847 122.358 120.500 0.017 0.000 2.533 818 R HA 0.294 4.634 4.340 -0.000 0.000 0.288 818 R C -1.565 174.775 176.300 0.068 0.000 1.039 818 R CA -0.869 55.246 56.100 0.025 0.000 0.909 818 R CB 1.170 31.471 30.300 0.002 0.000 1.195 818 R HN 0.579 nan 8.270 nan 0.000 0.438 819 Y N 3.432 123.700 120.300 -0.053 0.000 2.342 819 Y HA 0.191 4.741 4.550 -0.000 0.000 0.338 819 Y C -0.025 175.851 175.900 -0.041 0.000 0.965 819 Y CA -0.387 57.681 58.100 -0.054 0.000 1.159 819 Y CB 0.883 39.285 38.460 -0.096 0.000 1.157 819 Y HN 0.726 nan 8.280 nan 0.000 0.486 820 N N 4.710 123.170 118.700 -0.400 0.000 2.726 820 N HA -0.181 4.559 4.740 -0.000 0.000 0.253 820 N C 0.787 176.228 175.510 -0.114 0.000 1.059 820 N CA 1.343 54.214 53.050 -0.298 0.000 0.701 820 N CB -1.076 37.216 38.487 -0.325 0.000 0.899 820 N HN 1.301 nan 8.380 nan 0.000 0.548 821 G N -1.320 107.428 108.800 -0.087 0.000 2.189 821 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.267 821 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.267 821 G C 0.050 174.936 174.900 -0.023 0.000 0.975 821 G CA 0.900 45.972 45.100 -0.047 0.000 0.644 821 G HN 0.486 nan 8.290 nan 0.000 0.537 822 L N 0.712 121.928 121.223 -0.011 0.000 2.371 822 L HA 0.543 4.883 4.340 -0.000 0.000 0.262 822 L C -2.160 174.716 176.870 0.009 0.000 1.006 822 L CA -2.719 52.123 54.840 0.003 0.000 0.818 822 L CB 2.416 44.482 42.059 0.012 0.000 1.354 822 L HN -0.180 nan 8.230 nan 0.000 0.415 823 P HA 0.077 nan 4.420 nan 0.000 0.269 823 P C -0.727 176.563 177.300 -0.016 0.000 1.209 823 P CA 0.117 63.205 63.100 -0.020 0.000 0.776 823 P CB 1.535 33.215 31.700 -0.033 0.000 0.876 824 S N 1.591 117.273 115.700 -0.029 0.000 2.567 824 S HA 0.696 5.166 4.470 -0.000 0.000 0.270 824 S C -1.528 173.040 174.600 -0.053 0.000 1.152 824 S CA -0.730 57.447 58.200 -0.037 0.000 0.835 824 S CB 0.687 63.884 63.200 -0.004 0.000 1.115 824 S HN 0.320 nan 8.310 nan 0.000 0.459 825 M N 2.490 122.051 119.600 -0.065 0.000 2.327 825 M HA 0.444 4.924 4.480 -0.000 0.000 0.298 825 M C -0.676 175.589 176.300 -0.058 0.000 1.065 825 M CA -0.587 54.686 55.300 -0.046 0.000 0.916 825 M CB 2.048 34.636 32.600 -0.019 0.000 1.630 825 M HN 0.712 nan 8.290 nan 0.000 0.442 826 E N 3.087 123.264 120.200 -0.038 0.000 2.354 826 E HA 0.403 4.753 4.350 -0.000 0.000 0.269 826 E C -1.302 175.298 176.600 -0.000 0.000 1.036 826 E CA -0.334 56.041 56.400 -0.042 0.000 0.876 826 E CB 0.913 30.599 29.700 -0.023 0.000 1.009 826 E HN 0.482 nan 8.360 nan 0.000 0.416 827 I N 5.639 126.227 120.570 0.030 0.000 2.466 827 I HA 0.184 4.353 4.170 -0.000 0.000 0.289 827 I C -0.259 175.917 176.117 0.099 0.000 1.026 827 I CA -0.500 60.862 61.300 0.104 0.000 1.078 827 I CB 1.435 39.580 38.000 0.242 0.000 1.249 827 I HN 0.703 nan 8.210 nan 0.000 0.429 828 L N 5.450 126.669 121.223 -0.006 0.000 3.096 828 L HA 0.342 4.681 4.340 -0.000 0.000 0.272 828 L C 0.734 177.408 176.870 -0.327 0.000 1.311 828 L CA -0.062 54.698 54.840 -0.134 0.000 0.943 828 L CB 0.997 42.997 42.059 -0.098 0.000 1.348 828 L HN 0.707 nan 8.230 nan 0.000 0.562 829 G N 0.403 108.882 108.800 -0.535 0.000 2.432 829 G HA2 0.327 4.287 3.960 -0.000 0.000 0.257 829 G HA3 0.327 4.287 3.960 -0.000 0.000 0.257 829 G C -0.204 173.928 174.900 -1.281 0.000 1.238 829 G CA -0.146 44.520 45.100 -0.724 0.000 0.838 829 G HN 0.388 nan 8.290 nan 0.000 0.547 830 Q N 0.331 119.787 119.800 -0.574 0.000 2.230 830 Q HA 0.542 4.881 4.340 -0.000 0.000 0.248 830 Q C 0.512 176.442 176.000 -0.117 0.000 0.915 830 Q CA -0.638 54.942 55.803 -0.372 0.000 0.900 830 Q CB 1.865 30.483 28.738 -0.201 0.000 1.229 830 Q HN 0.721 nan 8.270 nan 0.000 0.439 831 A N 1.466 124.312 122.820 0.042 0.000 2.429 831 A HA 0.470 4.789 4.320 -0.000 0.000 0.242 831 A C 0.100 177.712 177.584 0.046 0.000 1.088 831 A CA 0.126 52.243 52.037 0.135 0.000 0.784 831 A CB -0.026 19.048 19.000 0.123 0.000 1.038 831 A HN 0.814 nan 8.150 nan 0.000 0.501 832 A N 1.268 124.115 122.820 0.044 0.000 2.386 832 A HA 0.486 4.806 4.320 -0.000 0.000 0.246 832 A C -0.995 176.591 177.584 0.004 0.000 1.089 832 A CA -0.494 51.553 52.037 0.016 0.000 0.790 832 A CB -0.369 18.640 19.000 0.014 0.000 1.042 832 A HN 0.658 nan 8.150 nan 0.000 0.497 833 P HA -0.023 nan 4.420 nan 0.000 0.229 833 P C 1.265 178.560 177.300 -0.009 0.000 1.160 833 P CA 1.591 64.686 63.100 -0.009 0.000 0.777 833 P CB 0.080 31.773 31.700 -0.011 0.000 0.814 834 G N 0.230 109.027 108.800 -0.005 0.000 2.508 834 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.212 834 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.212 834 G C 0.850 175.747 174.900 -0.004 0.000 1.206 834 G CA 0.117 45.214 45.100 -0.005 0.000 0.822 834 G HN 0.194 nan 8.290 nan 0.000 0.550 835 K N -0.127 120.273 120.400 0.001 0.000 2.143 835 K HA 0.425 4.745 4.320 -0.000 0.000 0.239 835 K C -0.578 176.023 176.600 0.001 0.000 1.048 835 K CA 0.221 56.509 56.287 0.001 0.000 0.867 835 K CB 0.763 33.266 32.500 0.004 0.000 1.088 835 K HN 0.154 nan 8.250 nan 0.000 0.510 836 S N 0.125 115.825 115.700 -0.001 0.000 2.423 836 S HA 0.172 4.642 4.470 -0.000 0.000 0.213 836 S C -0.243 174.352 174.600 -0.008 0.000 1.131 836 S CA -0.003 58.197 58.200 -0.001 0.000 1.155 836 S CB 0.036 63.232 63.200 -0.007 0.000 1.202 836 S HN 0.781 nan 8.310 nan 0.000 0.441 837 T N 3.062 117.616 114.554 0.000 0.000 13.450 837 T HA -0.298 4.052 4.350 -0.000 0.000 0.419 837 T C 1.657 176.297 174.700 -0.100 0.000 1.441 837 T CA 2.183 64.262 62.100 -0.034 0.000 2.355 837 T CB -1.794 67.046 68.868 -0.047 0.000 2.797 837 T HN 1.099 nan 8.240 nan 0.000 0.561 838 G N 1.274 110.023 108.800 -0.084 0.000 2.469 838 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 838 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 838 G C 1.237 176.086 174.900 -0.085 0.000 1.136 838 G CA 1.724 46.769 45.100 -0.092 0.000 0.759 838 G HN 0.784 nan 8.290 nan 0.000 0.562 839 E N 0.343 120.509 120.200 -0.056 0.000 2.076 839 E HA 0.062 4.412 4.350 -0.000 0.000 0.190 839 E C 2.985 179.546 176.600 -0.066 0.000 0.979 839 E CA 0.592 56.965 56.400 -0.046 0.000 0.807 839 E CB -0.142 29.545 29.700 -0.023 0.000 0.761 839 E HN 0.409 nan 8.360 nan 0.000 0.454 840 A N 1.304 124.082 122.820 -0.069 0.000 1.877 840 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 840 A C 2.187 179.635 177.584 -0.227 0.000 1.186 840 A CA 1.377 53.362 52.037 -0.088 0.000 0.620 840 A CB -0.478 18.539 19.000 0.028 0.000 0.822 840 A HN 0.114 nan 8.150 nan 0.000 0.443 841 M N -0.373 119.056 119.600 -0.285 0.000 2.159 841 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 841 M C 2.054 178.286 176.300 -0.113 0.000 1.063 841 M CA 2.021 57.122 55.300 -0.332 0.000 1.110 841 M CB -0.422 31.769 32.600 -0.681 0.000 1.374 841 M HN 0.725 nan 8.290 nan 0.000 0.411 842 E N 0.177 120.310 120.200 -0.112 0.000 2.358 842 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 842 E C 1.261 177.826 176.600 -0.059 0.000 1.010 842 E CA 0.860 57.233 56.400 -0.044 0.000 0.856 842 E CB -0.131 29.549 29.700 -0.033 0.000 0.795 842 E HN 0.343 nan 8.360 nan 0.000 0.504 843 L N 0.327 121.495 121.223 -0.092 0.000 2.653 843 L HA 0.290 4.630 4.340 -0.000 0.000 0.231 843 L C 1.389 178.163 176.870 -0.160 0.000 1.153 843 L CA 0.426 55.216 54.840 -0.083 0.000 0.933 843 L CB 0.225 42.258 42.059 -0.043 0.000 1.175 843 L HN 0.283 nan 8.230 nan 0.000 0.473 844 M N -2.177 117.265 119.600 -0.262 0.000 2.379 844 M HA 0.110 4.590 4.480 -0.000 0.000 0.265 844 M C 1.453 177.425 176.300 -0.546 0.000 1.095 844 M CA 0.414 55.431 55.300 -0.472 0.000 1.075 844 M CB 0.475 32.631 32.600 -0.740 0.000 1.443 844 M HN 0.225 nan 8.290 nan 0.000 0.519 845 E N 0.987 120.995 120.200 -0.320 0.000 2.107 845 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 845 E C 1.686 178.159 176.600 -0.211 0.000 0.982 845 E CA 1.160 57.370 56.400 -0.318 0.000 0.809 845 E CB 0.102 29.815 29.700 0.021 0.000 0.756 845 E HN 0.518 nan 8.360 nan 0.000 0.459 846 Q N 0.456 120.188 119.800 -0.114 0.000 2.436 846 Q HA -0.034 4.306 4.340 -0.000 0.000 0.209 846 Q C 1.764 177.722 176.000 -0.070 0.000 0.965 846 Q CA 0.846 56.616 55.803 -0.055 0.000 0.910 846 Q CB -0.411 28.315 28.738 -0.021 0.000 0.980 846 Q HN 0.277 nan 8.270 nan 0.000 0.491 847 L N -0.341 120.799 121.223 -0.138 0.000 2.209 847 L HA 0.190 4.530 4.340 -0.000 0.000 0.207 847 L C 2.211 178.999 176.870 -0.137 0.000 1.094 847 L CA 0.803 55.568 54.840 -0.125 0.000 0.790 847 L CB -0.583 41.366 42.059 -0.185 0.000 0.932 847 L HN 0.358 nan 8.230 nan 0.000 0.447 848 A N 0.422 123.109 122.820 -0.222 0.000 1.968 848 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 848 A C 2.445 180.038 177.584 0.015 0.000 1.169 848 A CA 1.538 53.494 52.037 -0.135 0.000 0.638 848 A CB -0.362 18.427 19.000 -0.352 0.000 0.812 848 A HN 0.478 nan 8.150 nan 0.000 0.446 849 S N -0.605 115.108 115.700 0.022 0.000 2.496 849 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 849 S C 1.464 176.088 174.600 0.039 0.000 0.996 849 S CA 0.889 59.135 58.200 0.076 0.000 0.927 849 S CB -0.141 63.113 63.200 0.090 0.000 0.774 849 S HN 0.550 nan 8.310 nan 0.000 0.524 850 K N 0.460 120.868 120.400 0.014 0.000 2.459 850 K HA 0.317 4.636 4.320 -0.000 0.000 0.193 850 K C 0.220 176.828 176.600 0.013 0.000 1.030 850 K CA -0.063 56.231 56.287 0.011 0.000 1.026 850 K CB -0.116 32.386 32.500 0.004 0.000 0.809 850 K HN 0.396 nan 8.250 nan 0.000 0.504 851 L N 1.307 122.541 121.223 0.018 0.000 2.475 851 L HA 0.166 4.506 4.340 -0.000 0.000 0.253 851 L C -1.800 175.086 176.870 0.026 0.000 1.198 851 L CA -2.049 52.803 54.840 0.021 0.000 0.814 851 L CB -0.118 41.958 42.059 0.028 0.000 1.134 851 L HN -0.073 nan 8.230 nan 0.000 0.478 852 P HA 0.081 nan 4.420 nan 0.000 0.280 852 P C -0.754 176.561 177.300 0.025 0.000 1.278 852 P CA -0.402 62.711 63.100 0.021 0.000 0.787 852 P CB 0.190 31.901 31.700 0.018 0.000 1.163 853 T N -0.390 114.177 114.554 0.021 0.000 2.913 853 T HA 0.407 4.757 4.350 -0.000 0.000 0.297 853 T C 1.033 175.745 174.700 0.020 0.000 1.029 853 T CA 0.771 62.883 62.100 0.020 0.000 1.104 853 T CB -0.003 68.875 68.868 0.016 0.000 0.964 853 T HN 0.829 nan 8.240 nan 0.000 0.532 854 G N 0.974 109.785 108.800 0.018 0.000 2.176 854 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.252 854 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.252 854 G C -0.047 174.864 174.900 0.018 0.000 1.024 854 G CA -0.081 45.028 45.100 0.015 0.000 0.755 854 G HN 0.805 nan 8.290 nan 0.000 0.507 855 V N 0.256 120.186 119.914 0.026 0.000 2.439 855 V HA 0.715 4.835 4.120 -0.000 0.000 0.277 855 V C 0.902 177.031 176.094 0.058 0.000 1.008 855 V CA -0.046 62.275 62.300 0.034 0.000 0.846 855 V CB 0.984 32.830 31.823 0.038 0.000 1.031 855 V HN 0.734 nan 8.190 nan 0.000 0.441 856 G N 3.188 112.011 108.800 0.038 0.000 2.736 856 G HA2 0.795 4.755 3.960 -0.000 0.000 0.229 856 G HA3 0.795 4.755 3.960 -0.000 0.000 0.229 856 G C -0.973 173.984 174.900 0.094 0.000 1.380 856 G CA -0.440 44.690 45.100 0.050 0.000 1.040 856 G HN 0.821 nan 8.290 nan 0.000 0.568 857 Y N -2.819 117.382 120.300 -0.164 0.000 2.689 857 Y HA 0.733 5.283 4.550 -0.000 0.000 0.333 857 Y C -1.747 173.914 175.900 -0.399 0.000 1.208 857 Y CA -1.383 56.484 58.100 -0.387 0.000 1.055 857 Y CB 1.875 40.067 38.460 -0.447 0.000 1.304 857 Y HN 0.559 nan 8.280 nan 0.000 0.455 858 D N 0.598 120.674 120.400 -0.540 0.000 2.886 858 D HA 0.130 4.770 4.640 -0.000 0.000 0.216 858 D C -2.201 173.751 176.300 -0.580 0.000 1.256 858 D CA -0.334 53.393 54.000 -0.455 0.000 0.844 858 D CB 1.507 42.108 40.800 -0.331 0.000 1.669 858 D HN 0.743 nan 8.370 nan 0.000 0.513 859 W N 3.022 124.194 121.300 -0.213 0.000 2.430 859 W HA 0.221 4.881 4.660 -0.000 0.000 0.380 859 W C 0.540 176.905 176.519 -0.258 0.000 1.045 859 W CA -0.295 56.942 57.345 -0.180 0.000 1.547 859 W CB 0.570 30.013 29.460 -0.027 0.000 1.554 859 W HN 0.037 nan 8.180 nan 0.000 0.378 860 T N 2.860 117.242 114.554 -0.287 0.000 2.870 860 T HA 0.562 4.912 4.350 -0.000 0.000 0.300 860 T C 0.663 175.329 174.700 -0.057 0.000 0.989 860 T CA 0.456 62.367 62.100 -0.314 0.000 1.139 860 T CB 0.909 69.518 68.868 -0.433 0.000 0.920 860 T HN 0.744 nan 8.240 nan 0.000 0.537 864 Y N 0.988 121.310 120.300 0.036 0.000 1.895 864 Y HA 0.593 5.143 4.550 -0.000 0.000 0.097 864 Y C 0.312 176.228 175.900 0.027 0.000 1.670 864 Y CA -0.597 57.507 58.100 0.007 0.000 1.493 864 Y CB -0.170 38.257 38.460 -0.056 0.000 2.320 864 Y HN 0.402 nan 8.280 nan 0.000 0.202 865 Q N 0.317 119.997 119.800 -0.201 0.000 1.374 865 Q HA 0.159 4.498 4.340 -0.000 0.000 0.145 865 Q C -1.699 173.851 176.000 -0.750 0.000 0.627 865 Q CA 0.739 56.340 55.803 -0.336 0.000 0.641 865 Q CB 1.032 29.738 28.738 -0.055 0.000 1.126 865 Q HN 0.711 nan 8.270 nan 0.000 0.343 866 E N -0.478 119.216 120.200 -0.843 0.000 2.597 866 E HA 0.383 4.733 4.350 -0.000 0.000 0.310 866 E C -0.868 175.471 176.600 -0.435 0.000 0.970 866 E CA -0.653 55.316 56.400 -0.717 0.000 0.819 866 E CB 1.400 30.890 29.700 -0.349 0.000 1.267 866 E HN -0.091 nan 8.360 nan 0.000 0.411 867 R N 1.062 121.375 120.500 -0.311 0.000 2.562 867 R HA 0.523 4.863 4.340 -0.000 0.000 0.217 867 R C 1.195 177.459 176.300 -0.060 0.000 1.234 867 R CA -0.213 55.805 56.100 -0.136 0.000 1.027 867 R CB 0.193 30.494 30.300 0.003 0.000 1.525 867 R HN 0.610 nan 8.270 nan 0.000 0.527 868 L N -2.092 119.132 121.223 0.001 0.000 2.738 868 L HA 0.247 4.587 4.340 -0.000 0.000 0.175 868 L C 2.148 179.151 176.870 0.222 0.000 1.125 868 L CA 0.048 54.970 54.840 0.137 0.000 0.857 868 L CB -0.765 41.325 42.059 0.052 0.000 1.300 868 L HN 0.410 nan 8.230 nan 0.000 0.499 869 S N 0.264 116.075 115.700 0.184 0.000 2.446 869 S HA 0.151 4.621 4.470 -0.000 0.000 0.225 869 S C 1.126 175.798 174.600 0.121 0.000 1.016 869 S CA 0.463 58.763 58.200 0.165 0.000 0.943 869 S CB -0.398 62.893 63.200 0.151 0.000 0.786 869 S HN 0.389 nan 8.310 nan 0.000 0.508 870 G N 0.909 109.759 108.800 0.084 0.000 2.594 870 G HA2 0.270 4.230 3.960 -0.000 0.000 0.243 870 G HA3 0.270 4.230 3.960 -0.000 0.000 0.243 870 G C 0.449 175.379 174.900 0.049 0.000 1.229 870 G CA 0.075 45.213 45.100 0.063 0.000 0.843 870 G HN 0.613 nan 8.290 nan 0.000 0.578 871 N N 0.055 118.777 118.700 0.037 0.000 1.978 871 N HA -0.500 4.240 4.740 -0.000 0.000 0.128 871 N C 1.842 177.363 175.510 0.018 0.000 0.186 871 N CA 2.460 55.520 53.050 0.018 0.000 1.506 871 N CB -0.827 37.650 38.487 -0.016 0.000 0.919 871 N HN 0.693 nan 8.380 nan 0.000 0.935 872 Q N 0.819 120.623 119.800 0.006 0.000 2.028 872 Q HA -0.288 4.052 4.340 -0.000 0.000 0.213 872 Q C 2.229 178.223 176.000 -0.010 0.000 1.017 872 Q CA 2.973 58.780 55.803 0.007 0.000 0.875 872 Q CB -0.589 28.173 28.738 0.040 0.000 0.962 872 Q HN 0.608 nan 8.270 nan 0.000 0.413 873 A N 0.615 123.436 122.820 0.001 0.000 1.896 873 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 873 A C -0.528 177.067 177.584 0.018 0.000 1.206 873 A CA 1.902 53.890 52.037 -0.081 0.000 0.647 873 A CB -2.057 16.997 19.000 0.089 0.000 0.828 873 A HN 0.475 nan 8.150 nan 0.000 0.455 874 P HA -0.215 nan 4.420 nan 0.000 0.212 874 P C 1.707 179.054 177.300 0.078 0.000 0.886 874 P CA 2.025 65.207 63.100 0.137 0.000 1.017 874 P CB -0.498 31.256 31.700 0.090 0.000 0.686 875 S N -0.968 114.752 115.700 0.034 0.000 2.465 875 S HA -0.258 4.212 4.470 -0.000 0.000 0.263 875 S C 1.782 176.390 174.600 0.013 0.000 1.135 875 S CA 1.927 60.136 58.200 0.016 0.000 1.118 875 S CB -1.413 61.785 63.200 -0.004 0.000 0.994 875 S HN 0.084 nan 8.310 nan 0.000 0.455 876 L N -1.064 120.137 121.223 -0.035 0.000 2.007 876 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 876 L C 2.159 179.002 176.870 -0.045 0.000 1.073 876 L CA 1.506 56.300 54.840 -0.076 0.000 0.744 876 L CB -0.999 40.928 42.059 -0.221 0.000 0.898 876 L HN 0.259 nan 8.230 nan 0.000 0.435 877 Y N 0.654 120.939 120.300 -0.025 0.000 2.151 877 Y HA -0.358 4.191 4.550 -0.000 0.000 0.284 877 Y C 2.758 178.649 175.900 -0.016 0.000 1.166 877 Y CA 0.769 58.852 58.100 -0.029 0.000 1.163 877 Y CB -0.492 37.944 38.460 -0.040 0.000 0.974 877 Y HN 0.225 nan 8.280 nan 0.000 0.511 878 A N 0.586 123.497 122.820 0.151 0.000 1.859 878 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 878 A C 2.042 179.662 177.584 0.059 0.000 1.209 878 A CA 2.436 54.518 52.037 0.075 0.000 0.639 878 A CB -1.144 17.885 19.000 0.048 0.000 0.835 878 A HN 0.396 nan 8.150 nan 0.000 0.450 879 I N 0.077 120.683 120.570 0.060 0.000 2.264 879 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 879 I C 2.677 178.838 176.117 0.073 0.000 1.111 879 I CA 1.705 63.044 61.300 0.064 0.000 1.382 879 I CB -0.410 37.642 38.000 0.087 0.000 1.060 879 I HN 0.235 nan 8.210 nan 0.000 0.418 880 S N -0.005 115.746 115.700 0.083 0.000 2.400 880 S HA -0.115 4.355 4.470 -0.000 0.000 0.232 880 S C 1.958 176.608 174.600 0.083 0.000 1.025 880 S CA 1.081 59.335 58.200 0.091 0.000 0.993 880 S CB -0.273 63.004 63.200 0.128 0.000 0.808 880 S HN 0.359 nan 8.310 nan 0.000 0.478 881 L N 0.835 122.101 121.223 0.071 0.000 2.007 881 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 881 L C 2.158 179.058 176.870 0.050 0.000 1.073 881 L CA 1.139 56.006 54.840 0.045 0.000 0.744 881 L CB -0.774 41.294 42.059 0.013 0.000 0.898 881 L HN 0.285 nan 8.230 nan 0.000 0.435 882 I N -0.306 120.284 120.570 0.033 0.000 2.182 882 I HA -0.364 3.806 4.170 -0.000 0.000 0.248 882 I C 2.419 178.591 176.117 0.093 0.000 1.073 882 I CA 1.470 62.791 61.300 0.035 0.000 1.335 882 I CB -0.560 37.455 38.000 0.025 0.000 1.031 882 I HN 0.098 nan 8.210 nan 0.000 0.420 883 V N -0.214 119.752 119.914 0.087 0.000 2.331 883 V HA -0.166 3.953 4.120 -0.000 0.000 0.242 883 V C 2.359 178.504 176.094 0.085 0.000 1.034 883 V CA 1.198 63.550 62.300 0.088 0.000 1.027 883 V CB -0.173 31.693 31.823 0.071 0.000 0.667 883 V HN 0.207 nan 8.190 nan 0.000 0.457 884 V N -0.121 119.835 119.914 0.070 0.000 2.311 884 V HA -0.371 3.748 4.120 -0.000 0.000 0.256 884 V C 2.172 178.286 176.094 0.033 0.000 1.077 884 V CA 3.005 65.329 62.300 0.041 0.000 1.067 884 V CB -0.548 31.297 31.823 0.036 0.000 0.659 884 V HN 0.640 nan 8.190 nan 0.000 0.451 885 F N -0.853 119.050 119.950 -0.079 0.000 2.098 885 F HA -0.122 4.405 4.527 -0.000 0.000 0.294 885 F C 2.128 177.898 175.800 -0.050 0.000 1.107 885 F CA 1.612 59.542 58.000 -0.116 0.000 1.234 885 F CB -0.255 38.645 39.000 -0.167 0.000 1.002 885 F HN -0.004 nan 8.300 nan 0.000 0.472 886 L N 0.247 121.551 121.223 0.135 0.000 1.978 886 L HA -0.336 4.004 4.340 -0.000 0.000 0.218 886 L C 2.600 179.448 176.870 -0.036 0.000 1.075 886 L CA 2.229 57.109 54.840 0.066 0.000 0.767 886 L CB -1.693 40.443 42.059 0.130 0.000 0.890 886 L HN 0.353 nan 8.230 nan 0.000 0.434 887 C N -0.635 118.657 119.300 -0.013 0.000 2.432 887 C HA -0.047 4.413 4.460 -0.000 0.000 0.282 887 C C 1.856 176.831 174.990 -0.024 0.000 1.388 887 C CA -0.347 58.667 59.018 -0.007 0.000 1.777 887 C CB -0.900 26.847 27.740 0.011 0.000 1.882 887 C HN 0.263 nan 8.230 nan 0.000 0.520 888 L N 1.052 122.197 121.223 -0.130 0.000 2.466 888 L HA 0.380 4.719 4.340 -0.000 0.000 0.248 888 L C 0.911 177.613 176.870 -0.280 0.000 1.240 888 L CA 0.390 55.077 54.840 -0.254 0.000 1.180 888 L CB -0.231 41.586 42.059 -0.403 0.000 1.413 888 L HN 0.371 nan 8.230 nan 0.000 0.406 889 A N 0.656 123.449 122.820 -0.046 0.000 2.317 889 A HA 0.070 4.390 4.320 -0.000 0.000 0.198 889 A C 1.581 179.158 177.584 -0.011 0.000 2.567 889 A CA 0.423 52.418 52.037 -0.069 0.000 1.525 889 A CB -0.781 18.106 19.000 -0.189 0.000 1.020 889 A HN 0.390 nan 8.150 nan 0.000 0.433 890 A N -0.604 122.221 122.820 0.008 0.000 2.216 890 A HA 0.392 4.712 4.320 -0.000 0.000 0.214 890 A C 1.192 178.777 177.584 0.003 0.000 1.160 890 A CA 1.728 53.770 52.037 0.008 0.000 0.725 890 A CB -0.241 18.768 19.000 0.014 0.000 0.784 890 A HN 0.691 nan 8.150 nan 0.000 0.472 891 L N -2.939 118.313 121.223 0.049 0.000 3.410 891 L HA 0.320 4.660 4.340 -0.000 0.000 0.309 891 L C 0.337 177.006 176.870 -0.334 0.000 1.254 891 L CA 0.571 55.344 54.840 -0.111 0.000 1.048 891 L CB -0.894 41.084 42.059 -0.135 0.000 1.442 891 L HN 0.482 nan 8.230 nan 0.000 0.615 892 Y N 0.319 120.553 120.300 -0.111 0.000 2.844 892 Y HA 0.199 4.749 4.550 -0.000 0.000 0.256 892 Y C 0.203 176.024 175.900 -0.133 0.000 1.134 892 Y CA -0.650 57.381 58.100 -0.115 0.000 1.209 892 Y CB 0.645 39.033 38.460 -0.120 0.000 1.418 892 Y HN 0.087 nan 8.280 nan 0.000 0.459 893 E N 1.633 121.821 120.200 -0.020 0.000 6.165 893 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 893 E C -0.508 175.991 176.600 -0.167 0.000 1.399 893 E CA 0.606 56.919 56.400 -0.146 0.000 1.382 893 E CB -1.522 28.098 29.700 -0.133 0.000 0.979 893 E HN 0.405 nan 8.360 nan 0.000 0.311 894 S N 0.959 116.485 115.700 -0.290 0.000 2.647 894 S HA 0.542 5.012 4.470 -0.000 0.000 0.276 894 S C -1.484 172.955 174.600 -0.269 0.000 1.184 894 S CA -1.006 57.063 58.200 -0.219 0.000 1.025 894 S CB 0.918 64.105 63.200 -0.023 0.000 1.238 894 S HN 0.479 nan 8.310 nan 0.000 0.472 895 W N 1.570 122.933 121.300 0.105 0.000 1.290 895 W HA 0.494 5.154 4.660 -0.000 0.000 0.304 895 W C 0.763 177.518 176.519 0.394 0.000 0.858 895 W CA -0.084 57.411 57.345 0.251 0.000 1.894 895 W CB 1.173 30.808 29.460 0.291 0.000 1.934 895 W HN 1.000 nan 8.180 nan 0.000 0.472 896 S N -2.337 113.672 115.700 0.516 0.000 3.369 896 S HA 0.018 4.488 4.470 -0.000 0.000 0.251 896 S C 1.151 175.929 174.600 0.296 0.000 1.093 896 S CA -0.033 58.427 58.200 0.434 0.000 0.952 896 S CB 0.117 63.437 63.200 0.200 0.000 0.965 896 S HN 0.113 nan 8.310 nan 0.000 0.436 897 I N 3.543 124.193 120.570 0.134 0.000 2.113 897 I HA -0.110 4.060 4.170 -0.000 0.000 0.242 897 I C -1.001 175.066 176.117 -0.082 0.000 1.064 897 I CA 1.920 63.223 61.300 0.005 0.000 1.320 897 I CB -0.985 36.986 38.000 -0.049 0.000 1.028 897 I HN 0.317 nan 8.210 nan 0.000 0.406 898 P HA -0.143 nan 4.420 nan 0.000 0.215 898 P C 1.694 178.935 177.300 -0.098 0.000 1.157 898 P CA 1.537 64.486 63.100 -0.252 0.000 0.863 898 P CB -0.144 31.273 31.700 -0.471 0.000 0.787 899 F N 0.943 120.966 119.950 0.121 0.000 2.115 899 F HA -0.280 4.247 4.527 -0.000 0.000 0.300 899 F C 2.614 178.431 175.800 0.029 0.000 1.092 899 F CA 1.939 59.992 58.000 0.088 0.000 1.245 899 F CB -1.487 37.564 39.000 0.084 0.000 0.995 899 F HN -0.017 nan 8.300 nan 0.000 0.481 900 S N 0.025 115.838 115.700 0.189 0.000 2.359 900 S HA -0.199 4.270 4.470 -0.000 0.000 0.223 900 S C 1.981 176.602 174.600 0.035 0.000 1.039 900 S CA 1.600 59.854 58.200 0.091 0.000 1.042 900 S CB -1.279 61.963 63.200 0.070 0.000 0.915 900 S HN 0.174 nan 8.310 nan 0.000 0.439 901 V N 1.551 121.458 119.914 -0.013 0.000 2.626 901 V HA 0.054 4.174 4.120 -0.000 0.000 0.252 901 V C 2.372 178.464 176.094 -0.005 0.000 1.067 901 V CA 1.669 63.946 62.300 -0.039 0.000 1.081 901 V CB -0.666 31.092 31.823 -0.109 0.000 0.686 901 V HN 0.540 nan 8.190 nan 0.000 0.468 902 M N 0.240 119.855 119.600 0.026 0.000 2.628 902 M HA 0.134 4.614 4.480 -0.000 0.000 0.232 902 M C 0.742 177.095 176.300 0.088 0.000 1.128 902 M CA 1.010 56.340 55.300 0.051 0.000 1.040 902 M CB -0.005 32.630 32.600 0.058 0.000 1.608 902 M HN 0.443 nan 8.290 nan 0.000 0.507 903 L N -3.547 117.732 121.223 0.093 0.000 3.358 903 L HA 0.281 4.621 4.340 -0.000 0.000 0.301 903 L C 0.940 177.895 176.870 0.142 0.000 1.276 903 L CA -0.456 54.465 54.840 0.135 0.000 1.028 903 L CB -0.481 41.651 42.059 0.122 0.000 1.421 903 L HN -0.226 nan 8.230 nan 0.000 0.604 904 V N -1.171 118.790 119.914 0.078 0.000 2.535 904 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 904 V C 2.555 178.681 176.094 0.052 0.000 1.045 904 V CA 1.305 63.644 62.300 0.065 0.000 1.058 904 V CB -0.227 31.605 31.823 0.015 0.000 0.689 904 V HN 0.394 nan 8.190 nan 0.000 0.461 905 V N 0.106 120.037 119.914 0.029 0.000 2.277 905 V HA -0.338 3.782 4.120 -0.000 0.000 0.256 905 V C 0.237 176.322 176.094 -0.015 0.000 1.069 905 V CA 2.931 65.228 62.300 -0.004 0.000 1.096 905 V CB -2.910 28.902 31.823 -0.019 0.000 0.741 905 V HN 0.515 nan 8.190 nan 0.000 0.470 906 P HA 0.041 nan 4.420 nan 0.000 0.225 906 P C 1.845 179.134 177.300 -0.018 0.000 1.156 906 P CA 0.723 63.799 63.100 -0.040 0.000 0.787 906 P CB -0.118 31.530 31.700 -0.086 0.000 0.802 907 L N -0.046 121.197 121.223 0.034 0.000 1.978 907 L HA -0.164 4.176 4.340 -0.000 0.000 0.218 907 L C 2.624 179.507 176.870 0.022 0.000 1.075 907 L CA 2.617 57.483 54.840 0.044 0.000 0.767 907 L CB -1.877 40.226 42.059 0.072 0.000 0.890 907 L HN 0.039 nan 8.230 nan 0.000 0.434 908 G N -1.921 106.884 108.800 0.007 0.000 2.534 908 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.217 908 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.217 908 G C 1.503 176.406 174.900 0.005 0.000 1.128 908 G CA 0.740 45.839 45.100 -0.003 0.000 0.784 908 G HN 0.252 nan 8.290 nan 0.000 0.542 909 V N 0.678 120.589 119.914 -0.005 0.000 2.346 909 V HA -0.028 4.092 4.120 -0.000 0.000 0.244 909 V C 2.479 178.612 176.094 0.065 0.000 1.037 909 V CA 1.189 63.492 62.300 0.005 0.000 1.029 909 V CB -0.210 31.583 31.823 -0.049 0.000 0.663 909 V HN 0.381 nan 8.190 nan 0.000 0.454 910 I N 1.080 121.674 120.570 0.041 0.000 2.454 910 I HA -0.138 4.032 4.170 -0.000 0.000 0.254 910 I C 2.183 178.347 176.117 0.079 0.000 1.156 910 I CA 1.682 63.018 61.300 0.060 0.000 1.433 910 I CB -0.448 37.564 38.000 0.019 0.000 1.082 910 I HN 0.259 nan 8.210 nan 0.000 0.432 911 G N -0.231 108.611 108.800 0.070 0.000 2.394 911 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 911 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 911 G C 1.745 176.720 174.900 0.126 0.000 1.165 911 G CA 0.580 45.725 45.100 0.074 0.000 0.784 911 G HN 0.538 nan 8.290 nan 0.000 0.535 912 A N 0.666 123.586 122.820 0.166 0.000 1.902 912 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 912 A C 2.416 180.275 177.584 0.459 0.000 1.181 912 A CA 1.236 53.456 52.037 0.305 0.000 0.623 912 A CB -0.431 18.700 19.000 0.218 0.000 0.818 912 A HN 0.342 nan 8.150 nan 0.000 0.443 913 L N -1.223 120.237 121.223 0.396 0.000 2.141 913 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 913 L C 2.514 179.471 176.870 0.146 0.000 1.094 913 L CA 0.664 55.686 54.840 0.303 0.000 0.763 913 L CB -0.476 41.751 42.059 0.281 0.000 0.908 913 L HN 0.354 nan 8.230 nan 0.000 0.437 914 L N -0.135 121.169 121.223 0.134 0.000 1.961 914 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 914 L C 2.777 179.715 176.870 0.113 0.000 1.072 914 L CA 1.958 56.853 54.840 0.091 0.000 0.749 914 L CB -0.610 41.472 42.059 0.039 0.000 0.889 914 L HN 0.183 nan 8.230 nan 0.000 0.432 915 A N -0.765 122.122 122.820 0.113 0.000 1.892 915 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 915 A C 2.403 180.061 177.584 0.123 0.000 1.188 915 A CA 2.240 54.361 52.037 0.139 0.000 0.631 915 A CB -1.226 17.852 19.000 0.131 0.000 0.822 915 A HN 0.533 nan 8.150 nan 0.000 0.447 916 A N -1.041 121.799 122.820 0.032 0.000 1.845 916 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 916 A C 2.308 179.820 177.584 -0.120 0.000 1.195 916 A CA 2.393 54.333 52.037 -0.162 0.000 0.616 916 A CB -1.463 17.143 19.000 -0.656 0.000 0.832 916 A HN 0.458 nan 8.150 nan 0.000 0.443 917 T N -0.882 113.627 114.554 -0.075 0.000 2.881 917 T HA -0.097 4.253 4.350 -0.000 0.000 0.270 917 T C 1.520 176.250 174.700 0.052 0.000 1.068 917 T CA 1.483 63.565 62.100 -0.030 0.000 1.131 917 T CB -0.328 68.541 68.868 0.002 0.000 0.871 917 T HN 0.435 nan 8.240 nan 0.000 0.479 918 F N 1.821 121.747 119.950 -0.039 0.000 2.059 918 F HA 0.237 4.763 4.527 -0.000 0.000 0.289 918 F C 1.368 177.155 175.800 -0.021 0.000 1.128 918 F CA 0.512 58.501 58.000 -0.017 0.000 1.181 918 F CB -0.177 38.823 39.000 0.000 0.000 1.012 918 F HN -0.156 nan 8.300 nan 0.000 0.473 919 R N 0.483 120.972 120.500 -0.018 0.000 2.863 919 R HA 0.094 4.433 4.340 -0.000 0.000 0.273 919 R C 0.535 176.773 176.300 -0.104 0.000 1.057 919 R CA 0.561 56.595 56.100 -0.110 0.000 1.191 919 R CB 0.101 30.415 30.300 0.023 0.000 1.104 919 R HN 0.437 nan 8.270 nan 0.000 0.519 920 G N 3.057 111.798 108.800 -0.097 0.000 3.452 920 G HA2 0.194 4.154 3.960 -0.000 0.000 0.258 920 G HA3 0.194 4.154 3.960 -0.000 0.000 0.258 920 G C 0.431 175.297 174.900 -0.057 0.000 1.305 920 G CA -0.181 44.870 45.100 -0.082 0.000 1.514 920 G HN 0.272 nan 8.290 nan 0.000 0.593 921 L N -0.920 120.266 121.223 -0.062 0.000 2.578 921 L HA 0.844 5.184 4.340 -0.000 0.000 0.259 921 L C 0.437 177.241 176.870 -0.111 0.000 1.082 921 L CA -0.841 53.964 54.840 -0.059 0.000 0.843 921 L CB 1.832 43.866 42.059 -0.042 0.000 1.535 921 L HN 0.120 nan 8.230 nan 0.000 0.510 922 T N -1.739 112.737 114.554 -0.130 0.000 2.749 922 T HA 0.137 4.487 4.350 -0.000 0.000 0.310 922 T C -1.163 173.432 174.700 -0.175 0.000 1.496 922 T CA -0.694 61.308 62.100 -0.164 0.000 1.006 922 T CB 1.375 70.199 68.868 -0.073 0.000 1.457 922 T HN 0.634 nan 8.240 nan 0.000 0.497 923 N N 2.104 120.715 118.700 -0.149 0.000 2.454 923 N HA 0.196 4.936 4.740 -0.000 0.000 0.285 923 N C -0.219 175.395 175.510 0.173 0.000 1.233 923 N CA -0.114 52.992 53.050 0.093 0.000 1.036 923 N CB 0.066 38.592 38.487 0.065 0.000 1.423 923 N HN 0.567 nan 8.380 nan 0.000 0.495 924 D N 0.287 120.830 120.400 0.238 0.000 2.577 924 D HA 0.100 4.740 4.640 -0.000 0.000 0.248 924 D C 1.072 177.523 176.300 0.253 0.000 1.181 924 D CA -0.644 53.480 54.000 0.207 0.000 1.083 924 D CB 0.064 40.944 40.800 0.133 0.000 1.198 924 D HN 0.005 nan 8.370 nan 0.000 0.626 925 V N -1.194 118.772 119.914 0.087 0.000 2.323 925 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 925 V C 2.078 178.231 176.094 0.098 0.000 1.041 925 V CA 1.392 63.734 62.300 0.071 0.000 1.025 925 V CB -0.874 30.756 31.823 -0.320 0.000 0.656 925 V HN 0.465 nan 8.190 nan 0.000 0.451 926 Y N -1.552 118.882 120.300 0.224 0.000 2.274 926 Y HA -0.248 4.302 4.550 -0.000 0.000 0.290 926 Y C 2.235 178.293 175.900 0.263 0.000 1.145 926 Y CA 1.859 60.099 58.100 0.232 0.000 1.203 926 Y CB -0.352 38.248 38.460 0.233 0.000 0.984 926 Y HN 0.290 nan 8.280 nan 0.000 0.533 927 F N 0.992 121.098 119.950 0.261 0.000 2.206 927 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 927 F C 2.191 178.097 175.800 0.177 0.000 1.090 927 F CA 1.280 59.397 58.000 0.195 0.000 1.323 927 F CB -0.390 38.704 39.000 0.157 0.000 1.028 927 F HN -0.053 nan 8.300 nan 0.000 0.492 928 Q N -0.437 119.464 119.800 0.168 0.000 2.515 928 Q HA 0.024 4.364 4.340 -0.000 0.000 0.212 928 Q C 0.947 176.917 176.000 -0.050 0.000 0.970 928 Q CA 0.758 56.581 55.803 0.035 0.000 0.941 928 Q CB 0.066 28.863 28.738 0.098 0.000 0.998 928 Q HN 0.351 nan 8.270 nan 0.000 0.518 929 V N -2.950 116.972 119.914 0.014 0.000 3.539 929 V HA 0.201 4.320 4.120 -0.000 0.000 0.262 929 V C 1.717 177.831 176.094 0.032 0.000 1.381 929 V CA 0.783 63.068 62.300 -0.024 0.000 1.060 929 V CB 0.588 32.426 31.823 0.025 0.000 0.842 929 V HN 0.335 nan 8.190 nan 0.000 0.445 930 G N 0.271 109.109 108.800 0.062 0.000 2.471 930 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.219 930 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.219 930 G C 1.447 176.337 174.900 -0.017 0.000 1.125 930 G CA 0.559 45.703 45.100 0.073 0.000 0.775 930 G HN 0.377 nan 8.290 nan 0.000 0.548 931 L N -0.510 120.629 121.223 -0.140 0.000 2.027 931 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 931 L C 2.767 179.631 176.870 -0.011 0.000 1.074 931 L CA 0.982 55.728 54.840 -0.157 0.000 0.745 931 L CB -0.384 41.539 42.059 -0.227 0.000 0.898 931 L HN 0.223 nan 8.230 nan 0.000 0.433 932 L N -1.238 120.020 121.223 0.059 0.000 2.240 932 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 932 L C 2.467 179.540 176.870 0.338 0.000 1.106 932 L CA 1.017 55.963 54.840 0.175 0.000 0.793 932 L CB -0.769 41.347 42.059 0.094 0.000 0.927 932 L HN 0.107 nan 8.230 nan 0.000 0.446 933 T N -1.652 113.096 114.554 0.323 0.000 2.929 933 T HA -0.168 4.181 4.350 -0.000 0.000 0.271 933 T C 1.913 176.668 174.700 0.092 0.000 1.085 933 T CA 1.772 64.050 62.100 0.297 0.000 1.125 933 T CB -0.044 69.000 68.868 0.293 0.000 0.874 933 T HN 0.306 nan 8.240 nan 0.000 0.494 934 T N 0.569 115.150 114.554 0.045 0.000 3.031 934 T HA 0.221 4.570 4.350 -0.000 0.000 0.254 934 T C 1.701 176.376 174.700 -0.041 0.000 1.060 934 T CA 0.206 62.281 62.100 -0.042 0.000 1.135 934 T CB -0.033 68.809 68.868 -0.043 0.000 0.896 934 T HN 0.285 nan 8.240 nan 0.000 0.472 935 I N 1.107 121.675 120.570 -0.003 0.000 2.614 935 I HA 0.035 4.205 4.170 -0.000 0.000 0.258 935 I C 2.557 178.666 176.117 -0.014 0.000 1.189 935 I CA 0.911 62.208 61.300 -0.005 0.000 1.462 935 I CB -0.264 37.747 38.000 0.017 0.000 1.092 935 I HN 0.249 nan 8.210 nan 0.000 0.442 936 G N 0.616 109.411 108.800 -0.009 0.000 2.403 936 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 936 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 936 G C 1.602 176.449 174.900 -0.088 0.000 1.154 936 G CA 0.282 45.344 45.100 -0.063 0.000 0.784 936 G HN 0.305 nan 8.290 nan 0.000 0.538 937 L N 0.768 121.929 121.223 -0.105 0.000 2.492 937 L HA 0.128 4.468 4.340 -0.000 0.000 0.223 937 L C 2.761 179.556 176.870 -0.124 0.000 1.132 937 L CA 0.211 54.960 54.840 -0.152 0.000 0.850 937 L CB 0.232 42.124 42.059 -0.278 0.000 0.966 937 L HN 0.140 nan 8.230 nan 0.000 0.454 938 S N -0.152 115.495 115.700 -0.089 0.000 2.387 938 S HA 0.048 4.518 4.470 -0.000 0.000 0.221 938 S C 2.228 176.793 174.600 -0.058 0.000 1.041 938 S CA 0.807 58.966 58.200 -0.068 0.000 0.959 938 S CB 0.006 63.178 63.200 -0.046 0.000 0.843 938 S HN 0.422 nan 8.310 nan 0.000 0.488 939 A N 2.259 125.045 122.820 -0.056 0.000 1.940 939 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 939 A C 1.911 179.459 177.584 -0.059 0.000 1.176 939 A CA 2.081 54.083 52.037 -0.060 0.000 0.631 939 A CB -0.554 18.410 19.000 -0.060 0.000 0.814 939 A HN 0.359 nan 8.150 nan 0.000 0.446 940 K N 0.823 121.185 120.400 -0.063 0.000 1.971 940 K HA -0.200 4.120 4.320 -0.000 0.000 0.221 940 K C 1.623 178.197 176.600 -0.044 0.000 1.050 940 K CA 2.274 58.528 56.287 -0.056 0.000 0.967 940 K CB -0.803 31.655 32.500 -0.070 0.000 0.733 940 K HN 0.377 nan 8.250 nan 0.000 0.445 941 N N 0.543 119.212 118.700 -0.052 0.000 2.049 941 N HA -0.240 4.500 4.740 -0.000 0.000 0.198 941 N C 1.649 177.139 175.510 -0.033 0.000 1.030 941 N CA 2.059 55.086 53.050 -0.038 0.000 0.870 941 N CB -0.928 37.524 38.487 -0.058 0.000 1.045 941 N HN 0.449 nan 8.380 nan 0.000 0.434 942 A N 1.221 124.011 122.820 -0.050 0.000 1.828 942 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 942 A C 2.368 179.934 177.584 -0.030 0.000 1.203 942 A CA 1.421 53.424 52.037 -0.056 0.000 0.614 942 A CB -1.056 17.909 19.000 -0.058 0.000 0.844 942 A HN 0.252 nan 8.150 nan 0.000 0.445 943 I N 0.190 120.740 120.570 -0.033 0.000 2.227 943 I HA -0.377 3.792 4.170 -0.000 0.000 0.250 943 I C 2.323 178.441 176.117 0.002 0.000 1.087 943 I CA 1.557 62.856 61.300 -0.002 0.000 1.352 943 I CB -0.377 37.625 38.000 0.004 0.000 1.043 943 I HN 0.383 nan 8.210 nan 0.000 0.425 944 L N -0.275 120.946 121.223 -0.003 0.000 2.005 944 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 944 L C 2.541 179.514 176.870 0.171 0.000 1.072 944 L CA 1.109 55.968 54.840 0.030 0.000 0.744 944 L CB -0.771 41.374 42.059 0.143 0.000 0.895 944 L HN 0.199 nan 8.230 nan 0.000 0.433 945 I N -0.031 120.613 120.570 0.123 0.000 2.194 945 I HA -0.271 3.899 4.170 -0.000 0.000 0.246 945 I C 2.500 178.705 176.117 0.147 0.000 1.093 945 I CA 1.525 62.894 61.300 0.115 0.000 1.355 945 I CB -0.829 37.119 38.000 -0.086 0.000 1.046 945 I HN 0.113 nan 8.210 nan 0.000 0.413 946 V N 0.554 120.529 119.914 0.102 0.000 2.249 946 V HA -0.211 3.909 4.120 -0.000 0.000 0.239 946 V C 2.518 178.697 176.094 0.143 0.000 1.038 946 V CA 1.775 64.152 62.300 0.129 0.000 1.005 946 V CB -0.685 31.202 31.823 0.106 0.000 0.646 946 V HN 0.273 nan 8.190 nan 0.000 0.455 947 E N 0.468 120.729 120.200 0.101 0.000 2.095 947 E HA -0.299 4.051 4.350 -0.000 0.000 0.212 947 E C 1.889 178.474 176.600 -0.026 0.000 1.044 947 E CA 2.467 58.846 56.400 -0.035 0.000 0.857 947 E CB -0.609 28.955 29.700 -0.227 0.000 0.764 947 E HN 0.541 nan 8.360 nan 0.000 0.462 948 F N -0.174 119.814 119.950 0.063 0.000 2.095 948 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 948 F C 2.428 178.268 175.800 0.067 0.000 1.104 948 F CA 0.779 58.813 58.000 0.057 0.000 1.232 948 F CB -0.383 38.656 39.000 0.065 0.000 0.987 948 F HN 0.187 nan 8.300 nan 0.000 0.475 949 A N -0.965 122.028 122.820 0.289 0.000 2.067 949 A HA -0.131 4.188 4.320 -0.000 0.000 0.219 949 A C 1.809 179.493 177.584 0.167 0.000 1.158 949 A CA 1.294 53.460 52.037 0.215 0.000 0.661 949 A CB -0.301 18.836 19.000 0.228 0.000 0.801 949 A HN 0.124 nan 8.150 nan 0.000 0.452 950 K N -0.128 120.355 120.400 0.137 0.000 2.367 950 K HA 0.117 4.437 4.320 -0.000 0.000 0.194 950 K C 0.729 177.361 176.600 0.053 0.000 1.027 950 K CA 0.415 56.755 56.287 0.088 0.000 1.075 950 K CB 0.142 32.690 32.500 0.080 0.000 0.845 950 K HN 0.360 nan 8.250 nan 0.000 0.529 951 D N 0.058 120.500 120.400 0.070 0.000 2.183 951 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 951 D C 1.667 178.010 176.300 0.071 0.000 0.962 951 D CA 0.740 54.774 54.000 0.057 0.000 0.849 951 D CB 0.256 41.106 40.800 0.084 0.000 0.978 951 D HN 0.103 nan 8.370 nan 0.000 0.488 952 L N 0.334 121.616 121.223 0.099 0.000 2.023 952 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 952 L C 2.645 179.561 176.870 0.076 0.000 1.073 952 L CA 0.739 55.631 54.840 0.085 0.000 0.745 952 L CB -0.356 41.761 42.059 0.096 0.000 0.900 952 L HN -0.022 nan 8.230 nan 0.000 0.435 953 M N -0.287 119.369 119.600 0.093 0.000 2.089 953 M HA -0.252 4.228 4.480 -0.000 0.000 0.257 953 M C 1.422 177.755 176.300 0.055 0.000 1.071 953 M CA 1.833 57.189 55.300 0.093 0.000 1.096 953 M CB -0.121 32.545 32.600 0.110 0.000 1.330 953 M HN 0.263 nan 8.290 nan 0.000 0.403 954 D N 0.296 120.718 120.400 0.037 0.000 1.821 954 D HA -0.110 4.530 4.640 -0.000 0.000 0.307 954 D C 1.582 177.893 176.300 0.017 0.000 1.054 954 D CA 1.264 55.274 54.000 0.017 0.000 0.832 954 D CB -0.651 40.146 40.800 -0.005 0.000 1.150 954 D HN 0.337 nan 8.370 nan 0.000 0.407 955 K N 1.010 121.417 120.400 0.011 0.000 2.137 955 K HA -0.258 4.062 4.320 -0.000 0.000 0.216 955 K C 1.554 178.164 176.600 0.018 0.000 1.052 955 K CA 1.506 57.800 56.287 0.011 0.000 0.939 955 K CB -0.505 32.002 32.500 0.011 0.000 0.724 955 K HN 0.372 nan 8.250 nan 0.000 0.465 956 E N 0.730 120.947 120.200 0.027 0.000 3.262 956 E HA 0.167 4.517 4.350 -0.000 0.000 0.485 956 E C 0.978 177.595 176.600 0.028 0.000 0.288 956 E CA 0.376 56.793 56.400 0.028 0.000 2.824 956 E CB -0.007 29.715 29.700 0.035 0.000 2.232 956 E HN 0.368 nan 8.360 nan 0.000 0.424 957 G N -0.212 108.609 108.800 0.034 0.000 2.600 957 G HA2 0.274 4.234 3.960 -0.000 0.000 0.303 957 G HA3 0.274 4.234 3.960 -0.000 0.000 0.303 957 G C 0.191 175.122 174.900 0.051 0.000 1.253 957 G CA -0.239 44.882 45.100 0.035 0.000 0.974 957 G HN 0.173 nan 8.290 nan 0.000 0.483 958 K N 0.185 120.619 120.400 0.055 0.000 1.971 958 K HA 0.091 4.411 4.320 -0.000 0.000 0.221 958 K C 1.544 178.209 176.600 0.108 0.000 1.050 958 K CA 2.022 58.361 56.287 0.087 0.000 0.967 958 K CB -0.871 31.678 32.500 0.083 0.000 0.733 958 K HN 1.728 nan 8.250 nan 0.000 0.445 959 G N 0.910 109.750 108.800 0.066 0.000 2.351 959 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.297 959 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.297 959 G C 0.448 175.363 174.900 0.024 0.000 1.054 959 G CA 0.508 45.630 45.100 0.036 0.000 1.123 959 G HN 0.399 nan 8.290 nan 0.000 0.512 960 L N -0.277 120.942 121.223 -0.007 0.000 2.011 960 L HA -0.217 4.123 4.340 -0.000 0.000 0.225 960 L C 2.618 179.173 176.870 -0.526 0.000 1.084 960 L CA 3.121 57.860 54.840 -0.168 0.000 0.791 960 L CB -0.020 41.963 42.059 -0.127 0.000 0.898 960 L HN 0.915 nan 8.230 nan 0.000 0.440 961 I N -5.334 115.046 120.570 -0.317 0.000 4.240 961 I HA 0.173 4.343 4.170 -0.000 0.000 0.331 961 I C 0.651 176.661 176.117 -0.178 0.000 1.381 961 I CA -0.094 61.025 61.300 -0.301 0.000 1.136 961 I CB 0.411 38.239 38.000 -0.287 0.000 1.137 961 I HN -0.031 nan 8.210 nan 0.000 0.411 962 E N 1.531 121.662 120.200 -0.116 0.000 2.423 962 E HA 0.442 4.792 4.350 -0.000 0.000 0.198 962 E C 1.194 177.778 176.600 -0.027 0.000 1.038 962 E CA 0.442 56.796 56.400 -0.077 0.000 1.011 962 E CB 0.969 30.632 29.700 -0.063 0.000 1.118 962 E HN 0.611 nan 8.360 nan 0.000 0.451 963 A N -0.292 122.530 122.820 0.003 0.000 1.988 963 A HA -0.011 4.309 4.320 -0.000 0.000 0.198 963 A C 2.158 179.795 177.584 0.089 0.000 1.507 963 A CA 0.714 52.789 52.037 0.063 0.000 0.901 963 A CB -0.537 18.536 19.000 0.120 0.000 1.007 963 A HN 0.319 nan 8.150 nan 0.000 0.502 964 T N -0.546 114.068 114.554 0.100 0.000 2.759 964 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 964 T C 1.852 176.586 174.700 0.057 0.000 1.042 964 T CA 1.657 63.847 62.100 0.151 0.000 1.140 964 T CB -0.547 68.415 68.868 0.156 0.000 0.864 964 T HN 0.229 nan 8.240 nan 0.000 0.455 965 L N 1.027 122.199 121.223 -0.085 0.000 2.044 965 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 965 L C 2.489 179.295 176.870 -0.106 0.000 1.075 965 L CA 1.929 56.654 54.840 -0.192 0.000 0.747 965 L CB -0.460 41.471 42.059 -0.214 0.000 0.903 965 L HN 0.156 nan 8.230 nan 0.000 0.435 966 D N -0.416 119.956 120.400 -0.047 0.000 2.263 966 D HA -0.160 4.480 4.640 -0.000 0.000 0.208 966 D C 1.944 178.248 176.300 0.007 0.000 0.971 966 D CA 1.118 55.106 54.000 -0.021 0.000 0.867 966 D CB 0.259 41.057 40.800 -0.003 0.000 0.929 966 D HN 0.470 nan 8.370 nan 0.000 0.492 967 A N -0.349 122.505 122.820 0.056 0.000 1.855 967 A HA -0.035 4.285 4.320 -0.000 0.000 0.213 967 A C 2.331 179.970 177.584 0.091 0.000 1.195 967 A CA 1.152 53.247 52.037 0.098 0.000 0.610 967 A CB -0.810 18.312 19.000 0.204 0.000 0.837 967 A HN 0.189 nan 8.150 nan 0.000 0.444 968 V N 0.228 120.245 119.914 0.171 0.000 3.041 968 V HA -0.089 4.031 4.120 -0.000 0.000 0.260 968 V C 2.388 178.538 176.094 0.093 0.000 1.105 968 V CA 1.542 63.971 62.300 0.215 0.000 1.125 968 V CB -0.803 31.305 31.823 0.475 0.000 0.730 968 V HN 0.567 nan 8.190 nan 0.000 0.479 969 R N 1.024 121.522 120.500 -0.004 0.000 2.159 969 R HA -0.099 4.241 4.340 -0.000 0.000 0.237 969 R C 1.066 177.359 176.300 -0.012 0.000 1.131 969 R CA 1.707 57.789 56.100 -0.029 0.000 0.982 969 R CB -0.152 30.117 30.300 -0.052 0.000 0.868 969 R HN 0.708 nan 8.270 nan 0.000 0.453 970 M N -0.803 118.780 119.600 -0.029 0.000 2.952 970 M HA 0.379 4.859 4.480 -0.000 0.000 0.259 970 M C -0.645 175.572 176.300 -0.138 0.000 1.306 970 M CA -0.612 54.644 55.300 -0.072 0.000 0.626 970 M CB 1.259 33.806 32.600 -0.088 0.000 1.423 970 M HN -0.078 nan 8.290 nan 0.000 0.459 971 R N -0.658 119.809 120.500 -0.054 0.000 2.558 971 R HA 0.078 4.417 4.340 -0.000 0.000 0.069 971 R C -0.047 176.291 176.300 0.063 0.000 0.505 971 R CA -0.298 55.775 56.100 -0.044 0.000 0.737 971 R CB -1.910 28.297 30.300 -0.154 0.000 0.912 971 R HN 0.536 nan 8.270 nan 0.000 0.583 972 L N 0.586 121.868 121.223 0.099 0.000 2.131 972 L HA 0.109 4.449 4.340 -0.000 0.000 0.210 972 L C 1.869 178.771 176.870 0.053 0.000 1.092 972 L CA 1.924 56.828 54.840 0.108 0.000 0.759 972 L CB -0.458 41.692 42.059 0.152 0.000 0.903 972 L HN 0.577 nan 8.230 nan 0.000 0.435 973 R N 0.677 121.204 120.500 0.045 0.000 2.154 973 R HA -0.177 4.162 4.340 -0.000 0.000 0.236 973 R C -0.365 175.987 176.300 0.087 0.000 1.121 973 R CA 2.811 58.969 56.100 0.095 0.000 0.915 973 R CB -1.407 28.935 30.300 0.071 0.000 0.856 973 R HN 0.383 nan 8.270 nan 0.000 0.431 974 P HA -0.113 nan 4.420 nan 0.000 0.223 974 P C 1.417 178.718 177.300 0.002 0.000 1.151 974 P CA 1.217 64.331 63.100 0.024 0.000 0.787 974 P CB -0.153 31.583 31.700 0.060 0.000 0.788 975 I N -0.863 119.717 120.570 0.017 0.000 2.315 975 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 975 I C 2.226 178.316 176.117 -0.045 0.000 1.117 975 I CA 1.312 62.606 61.300 -0.009 0.000 1.404 975 I CB -0.464 37.540 38.000 0.007 0.000 1.071 975 I HN -0.024 nan 8.210 nan 0.000 0.419 976 L N -0.719 120.481 121.223 -0.038 0.000 2.607 976 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 976 L C 2.071 178.845 176.870 -0.160 0.000 1.123 976 L CA 0.284 55.092 54.840 -0.055 0.000 0.890 976 L CB 0.210 42.271 42.059 0.003 0.000 1.103 976 L HN 0.115 nan 8.230 nan 0.000 0.468 977 M N -1.922 117.541 119.600 -0.228 0.000 2.299 977 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 977 M C 2.021 178.157 176.300 -0.272 0.000 1.095 977 M CA 1.397 56.411 55.300 -0.476 0.000 1.165 977 M CB 0.123 32.500 32.600 -0.371 0.000 1.349 977 M HN 0.082 nan 8.290 nan 0.000 0.446 978 T N -0.400 114.071 114.554 -0.138 0.000 2.595 978 T HA -0.179 4.171 4.350 -0.000 0.000 0.264 978 T C 1.823 176.508 174.700 -0.025 0.000 1.058 978 T CA 2.036 64.099 62.100 -0.062 0.000 1.166 978 T CB -0.498 68.347 68.868 -0.038 0.000 0.863 978 T HN 0.435 nan 8.240 nan 0.000 0.415 979 S N 0.608 116.277 115.700 -0.053 0.000 2.374 979 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 979 S C 2.057 176.666 174.600 0.015 0.000 1.037 979 S CA 1.411 59.589 58.200 -0.037 0.000 1.024 979 S CB -0.544 62.609 63.200 -0.077 0.000 0.861 979 S HN 0.372 nan 8.310 nan 0.000 0.456 980 L N 1.255 122.449 121.223 -0.048 0.000 2.056 980 L HA 0.097 4.436 4.340 -0.000 0.000 0.207 980 L C 2.492 179.343 176.870 -0.031 0.000 1.078 980 L CA 1.823 56.634 54.840 -0.048 0.000 0.749 980 L CB -0.743 41.253 42.059 -0.104 0.000 0.901 980 L HN 0.347 nan 8.230 nan 0.000 0.433 981 A N -1.179 121.605 122.820 -0.060 0.000 2.015 981 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 981 A C 2.145 179.738 177.584 0.016 0.000 1.163 981 A CA 1.606 53.617 52.037 -0.043 0.000 0.646 981 A CB -0.951 18.004 19.000 -0.076 0.000 0.806 981 A HN 0.590 nan 8.150 nan 0.000 0.448 982 F N 0.513 120.418 119.950 -0.076 0.000 2.118 982 F HA -0.043 4.483 4.527 -0.000 0.000 0.293 982 F C 2.033 177.803 175.800 -0.050 0.000 1.102 982 F CA 1.350 59.315 58.000 -0.058 0.000 1.247 982 F CB -0.077 38.891 39.000 -0.052 0.000 1.017 982 F HN 0.105 nan 8.300 nan 0.000 0.475 983 I N 0.594 121.339 120.570 0.293 0.000 2.185 983 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 983 I C 2.349 178.471 176.117 0.009 0.000 1.088 983 I CA 1.726 63.123 61.300 0.162 0.000 1.347 983 I CB -0.961 37.104 38.000 0.108 0.000 1.041 983 I HN 0.299 nan 8.210 nan 0.000 0.415 984 L N 0.160 121.371 121.223 -0.019 0.000 2.179 984 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 984 L C 2.630 179.444 176.870 -0.093 0.000 1.096 984 L CA 1.155 55.967 54.840 -0.047 0.000 0.779 984 L CB -0.699 41.340 42.059 -0.032 0.000 0.922 984 L HN 0.242 nan 8.230 nan 0.000 0.443 985 G N -0.837 107.874 108.800 -0.148 0.000 2.422 985 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.218 985 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.218 985 G C 1.506 176.256 174.900 -0.249 0.000 1.140 985 G CA 0.674 45.652 45.100 -0.203 0.000 0.775 985 G HN 0.197 nan 8.290 nan 0.000 0.545 986 V N 0.605 120.342 119.914 -0.295 0.000 2.809 986 V HA -0.095 4.025 4.120 -0.000 0.000 0.256 986 V C 2.608 178.615 176.094 -0.145 0.000 1.080 986 V CA 1.676 63.828 62.300 -0.248 0.000 1.102 986 V CB -0.219 31.476 31.823 -0.214 0.000 0.705 986 V HN 0.403 nan 8.190 nan 0.000 0.475 987 M N 1.038 120.574 119.600 -0.107 0.000 2.082 987 M HA -0.136 4.344 4.480 -0.000 0.000 0.258 987 M C -0.256 175.996 176.300 -0.080 0.000 1.069 987 M CA 2.505 57.762 55.300 -0.070 0.000 1.102 987 M CB -1.081 31.488 32.600 -0.052 0.000 1.336 987 M HN 0.225 nan 8.290 nan 0.000 0.404 988 P HA -0.152 nan 4.420 nan 0.000 0.223 988 P C 1.084 178.313 177.300 -0.119 0.000 1.144 988 P CA 1.414 64.453 63.100 -0.101 0.000 0.783 988 P CB -0.355 31.278 31.700 -0.112 0.000 0.771 989 L N -1.886 119.253 121.223 -0.140 0.000 2.298 989 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 989 L C 2.546 179.350 176.870 -0.110 0.000 1.084 989 L CA 0.577 55.319 54.840 -0.163 0.000 0.816 989 L CB -1.072 40.842 42.059 -0.242 0.000 0.967 989 L HN -0.207 nan 8.230 nan 0.000 0.460 990 V N 1.050 120.917 119.914 -0.077 0.000 2.379 990 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 990 V C 1.469 177.547 176.094 -0.027 0.000 1.044 990 V CA 1.512 63.790 62.300 -0.037 0.000 1.036 990 V CB -0.403 31.413 31.823 -0.012 0.000 0.664 990 V HN 0.401 nan 8.190 nan 0.000 0.453 991 I N -4.700 115.850 120.570 -0.034 0.000 4.020 991 I HA 0.598 4.768 4.170 -0.000 0.000 0.256 991 I C 1.235 177.325 176.117 -0.045 0.000 1.058 991 I CA -0.000 61.282 61.300 -0.030 0.000 1.397 991 I CB 1.097 39.090 38.000 -0.013 0.000 1.298 991 I HN 0.117 nan 8.210 nan 0.000 0.416 992 S N -0.250 115.428 115.700 -0.038 0.000 3.686 992 S HA -0.223 4.247 4.470 -0.000 0.000 0.247 992 S C 0.716 175.282 174.600 -0.056 0.000 1.674 992 S CA 1.622 59.795 58.200 -0.045 0.000 3.746 992 S CB -2.524 60.643 63.200 -0.054 0.000 0.692 992 S HN 1.100 nan 8.310 nan 0.000 0.466 993 T N 0.540 115.049 114.554 -0.075 0.000 2.904 993 T HA 0.598 4.947 4.350 -0.000 0.000 0.290 993 T C 0.511 175.168 174.700 -0.070 0.000 1.018 993 T CA 0.143 62.189 62.100 -0.090 0.000 1.075 993 T CB 1.779 70.572 68.868 -0.125 0.000 0.986 993 T HN 1.584 nan 8.240 nan 0.000 0.523 994 G N -0.894 107.867 108.800 -0.066 0.000 5.312 994 G HA2 0.569 4.529 3.960 -0.000 0.000 0.204 994 G HA3 0.569 4.529 3.960 -0.000 0.000 0.204 994 G C 0.076 174.967 174.900 -0.015 0.000 1.097 994 G CA 0.006 45.085 45.100 -0.036 0.000 0.621 994 G HN 1.154 nan 8.290 nan 0.000 0.290 995 A N -1.229 121.557 122.820 -0.056 0.000 1.782 995 A HA 0.503 4.823 4.320 -0.000 0.000 0.177 995 A C 1.977 179.397 177.584 -0.273 0.000 2.025 995 A CA 1.402 53.431 52.037 -0.014 0.000 1.604 995 A CB -0.765 18.296 19.000 0.101 0.000 1.619 995 A HN 1.219 nan 8.150 nan 0.000 0.290 996 G N 1.072 109.598 108.800 -0.458 0.000 2.484 996 G HA2 0.171 4.131 3.960 -0.000 0.000 0.215 996 G HA3 0.171 4.131 3.960 -0.000 0.000 0.215 996 G C 0.829 175.375 174.900 -0.591 0.000 1.219 996 G CA 1.800 46.430 45.100 -0.782 0.000 0.791 996 G HN 1.561 nan 8.290 nan 0.000 0.550 997 S N -0.747 114.765 115.700 -0.314 0.000 2.774 997 S HA 0.545 5.015 4.470 -0.000 0.000 0.297 997 S C 0.836 175.411 174.600 -0.042 0.000 1.143 997 S CA 0.146 58.258 58.200 -0.147 0.000 1.090 997 S CB 1.542 64.679 63.200 -0.105 0.000 1.019 997 S HN 0.453 nan 8.310 nan 0.000 0.482 998 G N 1.946 110.754 108.800 0.013 0.000 2.559 998 G HA2 0.143 4.103 3.960 -0.000 0.000 0.216 998 G HA3 0.143 4.103 3.960 -0.000 0.000 0.216 998 G C 1.275 176.188 174.900 0.021 0.000 1.126 998 G CA 0.424 45.541 45.100 0.027 0.000 0.778 998 G HN 1.021 nan 8.290 nan 0.000 0.543 999 A N 0.506 123.333 122.820 0.012 0.000 1.972 999 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 999 A C 2.237 179.771 177.584 -0.084 0.000 1.169 999 A CA 1.771 53.723 52.037 -0.141 0.000 0.635 999 A CB -0.353 18.450 19.000 -0.329 0.000 0.810 999 A HN 0.437 nan 8.150 nan 0.000 0.446 1000 Q N -0.309 119.521 119.800 0.050 0.000 2.152 1000 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 1000 Q C 1.859 177.776 176.000 -0.138 0.000 0.985 1000 Q CA 1.879 57.585 55.803 -0.162 0.000 0.863 1000 Q CB -0.304 28.338 28.738 -0.160 0.000 0.904 1000 Q HN 0.850 nan 8.270 nan 0.000 0.422 1001 N N -0.020 118.640 118.700 -0.065 0.000 2.142 1001 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 1001 N C 1.751 177.267 175.510 0.010 0.000 1.023 1001 N CA 0.771 53.806 53.050 -0.026 0.000 0.852 1001 N CB -0.140 38.345 38.487 -0.003 0.000 0.998 1001 N HN 0.190 nan 8.380 nan 0.000 0.424 1002 A N 0.750 123.582 122.820 0.021 0.000 1.978 1002 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 1002 A C 2.293 179.988 177.584 0.184 0.000 1.170 1002 A CA 1.217 53.331 52.037 0.128 0.000 0.636 1002 A CB -0.522 18.623 19.000 0.242 0.000 0.810 1002 A HN 0.099 nan 8.150 nan 0.000 0.448 1003 V N -0.706 119.243 119.914 0.058 0.000 2.283 1003 V HA -0.022 4.098 4.120 -0.000 0.000 0.239 1003 V C 2.823 178.966 176.094 0.081 0.000 1.035 1003 V CA 1.722 64.078 62.300 0.094 0.000 1.018 1003 V CB -1.506 30.270 31.823 -0.077 0.000 0.658 1003 V HN 0.526 nan 8.190 nan 0.000 0.459 1004 G N -0.567 108.226 108.800 -0.011 0.000 2.448 1004 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 1004 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 1004 G C 1.642 176.584 174.900 0.069 0.000 1.127 1004 G CA 1.493 46.594 45.100 0.002 0.000 0.766 1004 G HN 0.454 nan 8.290 nan 0.000 0.552 1005 T N 0.728 115.334 114.554 0.087 0.000 2.746 1005 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 1005 T C 2.127 176.935 174.700 0.180 0.000 1.039 1005 T CA 1.305 63.473 62.100 0.114 0.000 1.142 1005 T CB -0.223 68.705 68.868 0.099 0.000 0.866 1005 T HN 0.325 nan 8.240 nan 0.000 0.444 1006 G N 0.294 109.252 108.800 0.263 0.000 3.440 1006 G HA2 0.336 4.295 3.960 -0.000 0.000 0.263 1006 G HA3 0.336 4.295 3.960 -0.000 0.000 0.263 1006 G C 0.894 175.938 174.900 0.240 0.000 1.236 1006 G CA 0.029 45.358 45.100 0.381 0.000 0.927 1006 G HN 0.476 nan 8.290 nan 0.000 0.530 1007 V N -2.354 117.679 119.914 0.198 0.000 3.193 1007 V HA 0.186 4.306 4.120 -0.000 0.000 0.237 1007 V C 2.424 178.634 176.094 0.194 0.000 1.447 1007 V CA 0.171 62.592 62.300 0.202 0.000 1.227 1007 V CB -0.571 31.437 31.823 0.309 0.000 1.040 1007 V HN 0.237 nan 8.190 nan 0.000 0.458 1008 M N 1.752 121.455 119.600 0.172 0.000 2.108 1008 M HA -0.087 4.393 4.480 -0.000 0.000 0.261 1008 M C 2.270 178.627 176.300 0.095 0.000 1.066 1008 M CA 2.556 57.932 55.300 0.126 0.000 1.107 1008 M CB -0.679 31.975 32.600 0.090 0.000 1.356 1008 M HN 0.572 nan 8.290 nan 0.000 0.406 1009 G N -0.458 108.408 108.800 0.110 0.000 2.459 1009 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 1009 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 1009 G C 1.233 176.182 174.900 0.083 0.000 1.183 1009 G CA 0.984 46.145 45.100 0.102 0.000 0.776 1009 G HN 0.586 nan 8.290 nan 0.000 0.552 1010 G N -0.883 107.969 108.800 0.087 0.000 3.496 1010 G HA2 0.416 4.376 3.960 -0.000 0.000 0.273 1010 G HA3 0.416 4.376 3.960 -0.000 0.000 0.273 1010 G C 0.930 175.821 174.900 -0.016 0.000 1.279 1010 G CA -0.145 44.979 45.100 0.039 0.000 1.041 1010 G HN 0.242 nan 8.290 nan 0.000 0.539 1011 M N -0.952 118.643 119.600 -0.008 0.000 2.195 1011 M HA 0.138 4.618 4.480 -0.000 0.000 0.243 1011 M C 2.320 178.604 176.300 -0.028 0.000 1.313 1011 M CA 0.379 55.642 55.300 -0.062 0.000 1.077 1011 M CB 0.076 32.631 32.600 -0.075 0.000 1.664 1011 M HN 0.058 nan 8.290 nan 0.000 0.584 1012 V N 1.261 121.179 119.914 0.006 0.000 2.250 1012 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 1012 V C 1.729 177.829 176.094 0.009 0.000 1.060 1012 V CA 2.431 64.734 62.300 0.005 0.000 1.030 1012 V CB -0.965 30.867 31.823 0.015 0.000 0.643 1012 V HN 0.450 nan 8.190 nan 0.000 0.445 1013 T N -0.847 113.718 114.554 0.018 0.000 3.206 1013 T HA 0.447 4.796 4.350 -0.000 0.000 0.253 1013 T C 0.955 175.668 174.700 0.022 0.000 1.042 1013 T CA 0.665 62.785 62.100 0.032 0.000 0.931 1013 T CB 0.318 69.208 68.868 0.037 0.000 1.029 1013 T HN 0.482 nan 8.240 nan 0.000 0.564 1014 A N 0.808 123.624 122.820 -0.007 0.000 2.508 1014 A HA 0.402 4.722 4.320 -0.000 0.000 0.257 1014 A C 1.808 179.369 177.584 -0.038 0.000 1.226 1014 A CA 0.287 52.307 52.037 -0.029 0.000 0.947 1014 A CB 0.068 19.025 19.000 -0.072 0.000 1.079 1014 A HN 0.479 nan 8.150 nan 0.000 0.531 1015 T N -4.030 110.507 114.554 -0.028 0.000 3.449 1015 T HA 0.110 4.459 4.350 -0.000 0.000 0.268 1015 T C 0.361 175.039 174.700 -0.037 0.000 0.996 1015 T CA 0.610 62.684 62.100 -0.045 0.000 1.125 1015 T CB -0.652 68.171 68.868 -0.076 0.000 1.172 1015 T HN 0.049 nan 8.240 nan 0.000 0.430 1016 V N 3.223 123.112 119.914 -0.041 0.000 2.106 1016 V HA 0.407 4.526 4.120 -0.000 0.000 0.235 1016 V C 0.661 176.842 176.094 0.146 0.000 1.454 1016 V CA 0.656 62.940 62.300 -0.027 0.000 1.458 1016 V CB -1.096 30.713 31.823 -0.023 0.000 1.506 1016 V HN 0.536 nan 8.190 nan 0.000 0.498 1017 L N 2.114 123.469 121.223 0.221 0.000 1.243 1017 L HA 0.016 4.356 4.340 -0.000 0.000 0.116 1017 L C 1.842 178.857 176.870 0.241 0.000 1.492 1017 L CA 1.470 56.492 54.840 0.303 0.000 1.219 1017 L CB -1.091 41.088 42.059 0.200 0.000 2.253 1017 L HN 0.257 nan 8.230 nan 0.000 0.449 1018 A N -0.386 122.511 122.820 0.128 0.000 1.969 1018 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 1018 A C 1.620 179.230 177.584 0.043 0.000 1.169 1018 A CA 1.864 53.939 52.037 0.063 0.000 0.635 1018 A CB -0.431 18.570 19.000 0.002 0.000 0.810 1018 A HN 0.321 nan 8.150 nan 0.000 0.445 1019 I N -1.500 119.133 120.570 0.104 0.000 3.749 1019 I HA 0.394 4.564 4.170 -0.000 0.000 0.314 1019 I C -0.111 176.384 176.117 0.630 0.000 1.278 1019 I CA -0.114 61.309 61.300 0.205 0.000 1.158 1019 I CB -0.951 37.056 38.000 0.011 0.000 1.018 1019 I HN 0.304 nan 8.210 nan 0.000 0.435 1020 F N -2.702 117.429 119.950 0.301 0.000 3.397 1020 F HA 0.117 4.644 4.527 -0.000 0.000 0.327 1020 F C 0.970 176.909 175.800 0.232 0.000 1.143 1020 F CA -1.083 57.040 58.000 0.205 0.000 0.864 1020 F CB 0.262 39.219 39.000 -0.073 0.000 1.530 1020 F HN -0.133 nan 8.300 nan 0.000 0.498 1021 F N 0.278 120.143 119.950 -0.141 0.000 2.263 1021 F HA -0.384 4.142 4.527 -0.000 0.000 0.243 1021 F C 0.661 176.152 175.800 -0.515 0.000 1.162 1021 F CA 1.686 59.469 58.000 -0.361 0.000 1.682 1021 F CB -1.293 37.652 39.000 -0.092 0.000 0.738 1021 F HN 0.072 nan 8.300 nan 0.000 0.438 1022 V N 0.380 120.317 119.914 0.039 0.000 2.667 1022 V HA 0.297 4.416 4.120 -0.000 0.000 0.308 1022 V C -1.601 174.513 176.094 0.033 0.000 1.048 1022 V CA -2.041 60.208 62.300 -0.085 0.000 0.928 1022 V CB 1.630 33.518 31.823 0.109 0.000 1.004 1022 V HN -0.104 nan 8.190 nan 0.000 0.444 1023 P HA -0.239 nan 4.420 nan 0.000 0.299 1023 P C 0.133 177.531 177.300 0.164 0.000 1.964 1023 P CA 1.707 64.872 63.100 0.108 0.000 1.758 1023 P CB -0.053 31.647 31.700 -0.000 0.000 0.265 1024 V N -4.312 115.635 119.914 0.055 0.000 5.961 1024 V HA -0.254 3.866 4.120 -0.000 0.000 0.311 1024 V C 0.662 176.524 176.094 -0.386 0.000 0.552 1024 V CA 1.765 63.978 62.300 -0.145 0.000 0.641 1024 V CB -3.121 28.560 31.823 -0.237 0.000 0.286 1024 V HN 0.655 nan 8.190 nan 0.000 0.939 1025 F N -3.360 116.691 119.950 0.169 0.000 1.865 1025 F HA -0.065 4.462 4.527 -0.000 0.000 0.246 1025 F C 1.535 177.361 175.800 0.043 0.000 1.290 1025 F CA -0.103 57.945 58.000 0.079 0.000 1.158 1025 F CB -0.896 38.118 39.000 0.025 0.000 2.145 1025 F HN 0.124 nan 8.300 nan 0.000 0.100 1026 F N 2.292 122.388 119.950 0.242 0.000 2.065 1026 F HA -0.412 4.115 4.527 -0.000 0.000 0.290 1026 F C 2.359 178.208 175.800 0.082 0.000 1.079 1026 F CA 2.645 60.715 58.000 0.116 0.000 1.261 1026 F CB -1.296 37.754 39.000 0.084 0.000 0.968 1026 F HN 0.054 nan 8.300 nan 0.000 0.496 1027 V N -1.348 118.724 119.914 0.262 0.000 2.214 1027 V HA -0.307 3.813 4.120 -0.000 0.000 0.244 1027 V C 2.122 178.319 176.094 0.172 0.000 1.045 1027 V CA 2.085 64.472 62.300 0.146 0.000 0.993 1027 V CB -1.694 30.183 31.823 0.090 0.000 0.633 1027 V HN 0.237 nan 8.190 nan 0.000 0.449 1028 V N 0.361 120.391 119.914 0.194 0.000 2.439 1028 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 1028 V C 2.614 178.932 176.094 0.373 0.000 1.074 1028 V CA 1.997 64.441 62.300 0.240 0.000 1.076 1028 V CB -1.285 30.694 31.823 0.260 0.000 0.664 1028 V HN 0.435 nan 8.190 nan 0.000 0.461 1029 V N 1.594 121.696 119.914 0.313 0.000 2.220 1029 V HA -0.357 3.763 4.120 -0.000 0.000 0.250 1029 V C 2.753 179.033 176.094 0.310 0.000 1.056 1029 V CA 2.990 65.444 62.300 0.257 0.000 1.016 1029 V CB -0.842 30.998 31.823 0.028 0.000 0.639 1029 V HN 0.665 nan 8.190 nan 0.000 0.446 1030 R N 0.183 120.797 120.500 0.190 0.000 2.115 1030 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 1030 R C 2.262 178.637 176.300 0.125 0.000 1.100 1030 R CA 0.982 57.167 56.100 0.141 0.000 0.980 1030 R CB -0.429 29.925 30.300 0.090 0.000 0.875 1030 R HN 0.485 nan 8.270 nan 0.000 0.445 1031 R N 0.260 120.837 120.500 0.127 0.000 2.057 1031 R HA 0.125 4.465 4.340 -0.000 0.000 0.224 1031 R C 2.273 178.624 176.300 0.085 0.000 1.136 1031 R CA 0.246 56.396 56.100 0.083 0.000 0.968 1031 R CB -0.350 30.016 30.300 0.110 0.000 0.863 1031 R HN 0.026 nan 8.270 nan 0.000 0.433 1032 R N 1.160 121.700 120.500 0.066 0.000 2.055 1032 R HA 0.041 4.380 4.340 -0.000 0.000 0.228 1032 R C 1.222 177.412 176.300 -0.183 0.000 1.143 1032 R CA 1.386 57.412 56.100 -0.124 0.000 0.945 1032 R CB -0.580 29.515 30.300 -0.342 0.000 0.841 1032 R HN 0.004 nan 8.270 nan 0.000 0.429 1033 F N 0.333 120.312 119.950 0.049 0.000 2.173 1033 F HA 0.027 4.554 4.527 -0.000 0.000 0.219 1033 F C 2.132 177.950 175.800 0.029 0.000 0.794 1033 F CA 0.724 58.745 58.000 0.035 0.000 1.131 1033 F CB -0.530 38.486 39.000 0.026 0.000 2.087 1033 F HN 0.267 nan 8.300 nan 0.000 0.628 1034 S N -1.009 114.845 115.700 0.257 0.000 2.723 1034 S HA -0.357 4.113 4.470 -0.000 0.000 0.261 1034 S C 0.520 175.173 174.600 0.089 0.000 1.294 1034 S CA 1.792 60.070 58.200 0.131 0.000 1.467 1034 S CB -1.374 61.889 63.200 0.105 0.000 1.849 1034 S HN 0.960 nan 8.310 nan 0.000 0.672 1035 R N 0.881 121.433 120.500 0.086 0.000 3.701 1035 R HA 0.513 4.853 4.340 -0.000 0.000 0.091 1035 R C -0.210 176.119 176.300 0.047 0.000 0.544 1035 R CA 0.213 56.347 56.100 0.057 0.000 0.409 1035 R CB -0.466 29.861 30.300 0.044 0.000 0.500 1035 R HN 0.665 nan 8.270 nan 0.000 0.332 1036 K N 0.000 120.423 120.400 0.038 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.301 56.287 0.024 0.000 0.838 1036 K CB 0.000 32.520 32.500 0.034 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543