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 1oy8_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQNKLQLAMP 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 YRQFSITIVS 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 YDWXXXXXXX XXSGNQAPSL 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 0.000 176.328 176.300 0.046 0.000 2.045 7 D CA 0.000 54.040 54.000 0.066 0.000 0.868 7 D CB 0.000 40.838 40.800 0.064 0.000 0.688 8 R N 2.963 123.498 120.500 0.057 0.000 2.267 8 R HA 0.254 4.594 4.340 -0.000 0.000 0.319 8 R C -1.521 174.709 176.300 -0.117 0.000 1.067 8 R CA -1.100 54.966 56.100 -0.056 0.000 0.936 8 R CB 1.550 31.826 30.300 -0.040 0.000 1.006 8 R HN 0.093 nan 8.270 nan 0.000 0.452 9 P HA -0.220 nan 4.420 nan 0.000 0.205 9 P C 1.479 178.720 177.300 -0.098 0.000 1.193 9 P CA 1.198 64.232 63.100 -0.111 0.000 0.929 9 P CB -0.158 31.394 31.700 -0.248 0.000 0.772 10 I N -1.440 118.953 120.570 -0.295 0.000 2.147 10 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 10 I C 2.506 178.666 176.117 0.072 0.000 1.059 10 I CA 1.961 63.157 61.300 -0.173 0.000 1.320 10 I CB -2.464 35.374 38.000 -0.270 0.000 1.021 10 I HN -0.076 nan 8.210 nan 0.000 0.415 11 F N 1.853 121.857 119.950 0.091 0.000 2.134 11 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 11 F C 2.892 178.758 175.800 0.110 0.000 1.097 11 F CA 1.091 59.141 58.000 0.084 0.000 1.264 11 F CB -0.654 38.380 39.000 0.056 0.000 1.001 11 F HN 0.199 nan 8.300 nan 0.000 0.479 12 A N -0.547 122.452 122.820 0.299 0.000 1.929 12 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 12 A C 1.810 179.525 177.584 0.218 0.000 1.176 12 A CA 1.035 53.206 52.037 0.224 0.000 0.628 12 A CB -1.125 17.996 19.000 0.202 0.000 0.816 12 A HN 0.509 nan 8.150 nan 0.000 0.444 13 W N -0.368 120.954 121.300 0.036 0.000 2.388 13 W HA -0.059 4.601 4.660 -0.000 0.000 0.294 13 W C 2.335 178.876 176.519 0.037 0.000 1.212 13 W CA 1.380 58.739 57.345 0.024 0.000 1.271 13 W CB -0.577 28.885 29.460 0.003 0.000 1.126 13 W HN 0.122 nan 8.180 nan 0.000 0.535 14 V N 0.263 120.344 119.914 0.279 0.000 2.358 14 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 14 V C 2.165 178.329 176.094 0.117 0.000 1.047 14 V CA 1.236 63.647 62.300 0.186 0.000 1.035 14 V CB -0.767 31.170 31.823 0.190 0.000 0.658 14 V HN 0.049 nan 8.190 nan 0.000 0.452 15 I N 0.534 121.172 120.570 0.113 0.000 2.208 15 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 15 I C 2.620 178.749 176.117 0.021 0.000 1.097 15 I CA 2.067 63.404 61.300 0.062 0.000 1.363 15 I CB -1.249 36.789 38.000 0.064 0.000 1.051 15 I HN 0.343 nan 8.210 nan 0.000 0.413 16 A N 0.465 123.284 122.820 -0.003 0.000 1.968 16 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 16 A C 2.285 179.843 177.584 -0.043 0.000 1.169 16 A CA 1.022 53.020 52.037 -0.064 0.000 0.638 16 A CB -0.568 18.325 19.000 -0.177 0.000 0.812 16 A HN 0.384 nan 8.150 nan 0.000 0.446 17 I N -0.620 119.952 120.570 0.003 0.000 2.546 17 I HA -0.162 4.007 4.170 -0.000 0.000 0.255 17 I C 2.056 178.187 176.117 0.023 0.000 1.163 17 I CA 0.673 61.987 61.300 0.024 0.000 1.457 17 I CB -0.139 37.906 38.000 0.075 0.000 1.092 17 I HN 0.273 nan 8.210 nan 0.000 0.434 18 I N 0.580 121.164 120.570 0.024 0.000 2.226 18 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 18 I C 2.272 178.393 176.117 0.006 0.000 1.100 18 I CA 1.688 62.998 61.300 0.017 0.000 1.374 18 I CB -0.164 37.846 38.000 0.017 0.000 1.057 18 I HN 0.123 nan 8.210 nan 0.000 0.413 19 I N -0.443 120.125 120.570 -0.003 0.000 2.493 19 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 19 I C 2.330 178.449 176.117 0.002 0.000 1.160 19 I CA 0.739 62.035 61.300 -0.007 0.000 1.445 19 I CB -0.277 37.709 38.000 -0.023 0.000 1.086 19 I HN 0.208 nan 8.210 nan 0.000 0.433 20 M N 0.167 119.765 119.600 -0.004 0.000 2.149 20 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 20 M C 2.264 178.571 176.300 0.011 0.000 1.064 20 M CA 1.899 57.200 55.300 0.002 0.000 1.102 20 M CB -0.931 31.667 32.600 -0.003 0.000 1.369 20 M HN 0.273 nan 8.290 nan 0.000 0.408 21 L N -0.994 120.235 121.223 0.011 0.000 2.121 21 L HA 0.042 4.382 4.340 -0.000 0.000 0.200 21 L C 2.740 179.615 176.870 0.009 0.000 1.077 21 L CA 0.757 55.602 54.840 0.009 0.000 0.766 21 L CB -1.294 40.770 42.059 0.009 0.000 0.931 21 L HN 0.178 nan 8.230 nan 0.000 0.452 22 A N 0.767 123.593 122.820 0.009 0.000 1.971 22 A HA -0.219 4.101 4.320 -0.000 0.000 0.222 22 A C 2.290 179.888 177.584 0.024 0.000 1.182 22 A CA 2.302 54.344 52.037 0.008 0.000 0.649 22 A CB -1.318 17.682 19.000 -0.000 0.000 0.818 22 A HN 0.525 nan 8.150 nan 0.000 0.458 23 G N -1.650 107.178 108.800 0.047 0.000 2.459 23 G HA2 0.229 4.189 3.960 -0.000 0.000 0.213 23 G HA3 0.229 4.189 3.960 -0.000 0.000 0.213 23 G C 1.442 176.377 174.900 0.060 0.000 1.155 23 G CA 1.030 46.196 45.100 0.111 0.000 0.811 23 G HN 0.703 nan 8.290 nan 0.000 0.534 24 G N 1.075 109.888 108.800 0.023 0.000 2.403 24 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 24 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 24 G C 1.675 176.544 174.900 -0.051 0.000 1.154 24 G CA 0.921 46.004 45.100 -0.028 0.000 0.784 24 G HN 0.375 nan 8.290 nan 0.000 0.538 25 L N 1.027 122.234 121.223 -0.027 0.000 2.156 25 L HA 0.191 4.531 4.340 -0.000 0.000 0.208 25 L C 2.600 179.447 176.870 -0.038 0.000 1.095 25 L CA 2.273 57.096 54.840 -0.028 0.000 0.770 25 L CB -1.173 40.878 42.059 -0.013 0.000 0.914 25 L HN 0.247 nan 8.230 nan 0.000 0.439 26 A N 0.419 123.220 122.820 -0.032 0.000 1.972 26 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 26 A C 2.198 179.727 177.584 -0.091 0.000 1.169 26 A CA 1.732 53.750 52.037 -0.031 0.000 0.635 26 A CB -0.686 18.327 19.000 0.022 0.000 0.810 26 A HN 0.461 nan 8.150 nan 0.000 0.446 27 I N -0.559 119.906 120.570 -0.175 0.000 2.493 27 I HA -0.132 4.038 4.170 -0.000 0.000 0.254 27 I C 1.420 177.451 176.117 -0.143 0.000 1.160 27 I CA 0.957 62.108 61.300 -0.249 0.000 1.445 27 I CB 0.013 37.789 38.000 -0.372 0.000 1.086 27 I HN 0.259 nan 8.210 nan 0.000 0.433 28 L N -0.380 120.785 121.223 -0.096 0.000 2.629 28 L HA 0.110 4.450 4.340 -0.000 0.000 0.230 28 L C 1.639 178.482 176.870 -0.045 0.000 1.151 28 L CA 0.431 55.233 54.840 -0.063 0.000 0.924 28 L CB -0.305 41.725 42.059 -0.049 0.000 1.137 28 L HN 0.054 nan 8.230 nan 0.000 0.457 29 K N -0.514 119.859 120.400 -0.045 0.000 2.608 29 K HA 0.223 4.543 4.320 -0.000 0.000 0.209 29 K C -0.492 176.098 176.600 -0.018 0.000 1.369 29 K CA -0.268 56.004 56.287 -0.025 0.000 1.029 29 K CB 1.065 33.555 32.500 -0.016 0.000 1.139 29 K HN 0.019 nan 8.250 nan 0.000 0.623 30 L N 3.268 124.472 121.223 -0.030 0.000 2.295 30 L HA 0.407 4.747 4.340 -0.000 0.000 0.285 30 L C -2.420 174.439 176.870 -0.019 0.000 1.035 30 L CA -2.153 52.680 54.840 -0.012 0.000 0.806 30 L CB 1.076 43.130 42.059 -0.007 0.000 1.214 30 L HN -0.062 nan 8.230 nan 0.000 0.426 31 P HA -0.022 nan 4.420 nan 0.000 0.261 31 P C 0.463 177.756 177.300 -0.011 0.000 1.203 31 P CA 0.018 63.115 63.100 -0.004 0.000 0.767 31 P CB 0.376 32.080 31.700 0.008 0.000 0.785 32 V N 0.817 120.714 119.914 -0.027 0.000 3.602 32 V HA 0.170 4.289 4.120 -0.000 0.000 0.289 32 V C 1.267 177.335 176.094 -0.043 0.000 1.265 32 V CA -0.126 62.149 62.300 -0.041 0.000 1.202 32 V CB -1.695 30.095 31.823 -0.054 0.000 1.012 32 V HN 0.556 nan 8.190 nan 0.000 0.431 33 A N 0.334 123.138 122.820 -0.027 0.000 2.409 33 A HA 0.295 4.615 4.320 -0.000 0.000 0.246 33 A C 1.257 178.796 177.584 -0.075 0.000 1.099 33 A CA 0.075 52.095 52.037 -0.028 0.000 0.789 33 A CB 0.257 19.258 19.000 0.001 0.000 1.053 33 A HN 0.416 nan 8.150 nan 0.000 0.503 34 Q N -0.664 119.075 119.800 -0.101 0.000 0.955 34 Q HA 0.016 4.356 4.340 -0.000 0.000 0.826 34 Q C -0.350 175.476 176.000 -0.290 0.000 0.874 34 Q CA 1.094 56.720 55.803 -0.294 0.000 0.885 34 Q CB -0.519 28.020 28.738 -0.331 0.000 1.233 34 Q HN 0.710 nan 8.270 nan 0.000 0.223 35 Y N 1.435 121.768 120.300 0.054 0.000 2.304 35 Y HA 0.224 4.774 4.550 -0.000 0.000 0.327 35 Y C -1.562 174.356 175.900 0.030 0.000 1.209 35 Y CA -2.115 56.009 58.100 0.039 0.000 1.299 35 Y CB -0.503 37.992 38.460 0.058 0.000 1.249 35 Y HN 0.350 nan 8.280 nan 0.000 0.519 36 P HA 0.057 nan 4.420 nan 0.000 0.275 36 P C -0.619 176.732 177.300 0.085 0.000 1.266 36 P CA -0.526 62.623 63.100 0.081 0.000 0.793 36 P CB 0.480 32.199 31.700 0.032 0.000 1.074 37 T N 1.501 116.082 114.554 0.044 0.000 2.765 37 T HA 0.096 4.446 4.350 -0.000 0.000 0.284 37 T C 1.370 176.096 174.700 0.043 0.000 0.946 37 T CA 0.412 62.537 62.100 0.042 0.000 1.185 37 T CB -0.595 68.284 68.868 0.018 0.000 0.887 37 T HN 0.208 nan 8.240 nan 0.000 0.532 38 I N 2.221 122.821 120.570 0.050 0.000 2.899 38 I HA 0.282 4.452 4.170 -0.000 0.000 0.257 38 I C 1.626 177.759 176.117 0.027 0.000 1.115 38 I CA -0.116 61.211 61.300 0.043 0.000 1.451 38 I CB -0.482 37.544 38.000 0.043 0.000 1.251 38 I HN 0.549 nan 8.210 nan 0.000 0.456 39 A N 2.694 125.528 122.820 0.023 0.000 2.520 39 A HA 0.327 4.647 4.320 -0.000 0.000 0.245 39 A C -2.228 175.372 177.584 0.026 0.000 1.072 39 A CA -0.836 51.213 52.037 0.020 0.000 0.761 39 A CB -0.975 18.040 19.000 0.026 0.000 1.004 39 A HN 0.066 nan 8.150 nan 0.000 0.499 40 P HA 0.194 nan 4.420 nan 0.000 0.262 40 P C -2.422 174.907 177.300 0.049 0.000 1.199 40 P CA -0.507 62.612 63.100 0.031 0.000 0.763 40 P CB -0.138 31.574 31.700 0.020 0.000 0.790 41 P HA 0.146 nan 4.420 nan 0.000 0.262 41 P C -0.753 176.643 177.300 0.160 0.000 1.182 41 P CA 0.613 63.747 63.100 0.055 0.000 0.761 41 P CB 0.437 32.126 31.700 -0.018 0.000 0.795 42 A N 3.018 125.916 122.820 0.131 0.000 2.414 42 A HA 0.636 4.956 4.320 -0.000 0.000 0.306 42 A C -1.074 176.604 177.584 0.157 0.000 1.054 42 A CA -0.578 51.575 52.037 0.193 0.000 0.724 42 A CB 1.364 20.425 19.000 0.102 0.000 1.267 42 A HN 0.299 nan 8.150 nan 0.000 0.418 43 V N 1.695 121.755 119.914 0.242 0.000 2.495 43 V HA 0.626 4.746 4.120 -0.000 0.000 0.298 43 V C -0.034 176.127 176.094 0.112 0.000 1.031 43 V CA -0.379 62.014 62.300 0.155 0.000 0.871 43 V CB 1.889 33.822 31.823 0.183 0.000 0.988 43 V HN 0.944 nan 8.190 nan 0.000 0.432 44 T N 5.667 120.261 114.554 0.067 0.000 2.823 44 T HA 0.718 5.068 4.350 -0.000 0.000 0.279 44 T C -0.371 174.351 174.700 0.035 0.000 0.998 44 T CA -0.224 61.906 62.100 0.050 0.000 0.994 44 T CB 1.411 70.305 68.868 0.044 0.000 0.960 44 T HN 0.361 nan 8.240 nan 0.000 0.448 45 I N 2.295 122.883 120.570 0.029 0.000 2.412 45 I HA 0.428 4.598 4.170 -0.000 0.000 0.296 45 I C 0.169 176.295 176.117 0.014 0.000 0.987 45 I CA -0.295 61.016 61.300 0.018 0.000 1.180 45 I CB 1.694 39.702 38.000 0.013 0.000 1.340 45 I HN 0.560 nan 8.210 nan 0.000 0.455 46 S N 4.366 120.070 115.700 0.007 0.000 2.513 46 S HA 0.928 5.398 4.470 -0.000 0.000 0.299 46 S C -0.687 173.912 174.600 -0.000 0.000 1.087 46 S CA -0.746 57.458 58.200 0.006 0.000 1.012 46 S CB 2.067 65.268 63.200 0.002 0.000 1.044 46 S HN 0.761 nan 8.310 nan 0.000 0.485 47 A N 1.256 124.080 122.820 0.006 0.000 2.594 47 A HA 0.866 5.186 4.320 -0.000 0.000 0.295 47 A C -0.910 176.689 177.584 0.024 0.000 1.071 47 A CA -0.708 51.330 52.037 0.002 0.000 0.685 47 A CB 1.858 20.855 19.000 -0.005 0.000 1.285 47 A HN 0.654 nan 8.150 nan 0.000 0.405 48 S N 0.287 116.004 115.700 0.028 0.000 2.614 48 S HA 0.612 5.082 4.470 -0.000 0.000 0.288 48 S C -1.761 172.920 174.600 0.136 0.000 1.137 48 S CA -0.252 57.992 58.200 0.072 0.000 0.992 48 S CB 0.794 64.026 63.200 0.054 0.000 1.026 48 S HN 0.756 nan 8.310 nan 0.000 0.486 49 Y N 6.571 126.879 120.300 0.014 0.000 2.555 49 Y HA 0.387 4.937 4.550 -0.000 0.000 0.326 49 Y C -2.355 173.567 175.900 0.037 0.000 0.984 49 Y CA -2.889 55.224 58.100 0.021 0.000 1.298 49 Y CB 1.350 39.819 38.460 0.015 0.000 1.094 49 Y HN 0.486 nan 8.280 nan 0.000 0.500 50 P HA 0.066 nan 4.420 nan 0.000 0.261 50 P C 0.690 177.994 177.300 0.007 0.000 1.203 50 P CA 1.740 64.916 63.100 0.126 0.000 0.767 50 P CB 1.081 32.900 31.700 0.197 0.000 0.785 51 G N 2.986 111.769 108.800 -0.029 0.000 2.490 51 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.214 51 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.214 51 G C 0.426 175.243 174.900 -0.139 0.000 1.151 51 G CA 0.033 45.094 45.100 -0.066 0.000 0.684 51 G HN 0.824 nan 8.290 nan 0.000 0.518 52 A N 2.062 124.701 122.820 -0.301 0.000 2.586 52 A HA 0.432 4.752 4.320 -0.000 0.000 0.231 52 A C 0.795 178.300 177.584 -0.133 0.000 1.055 52 A CA 1.155 52.996 52.037 -0.326 0.000 0.756 52 A CB -0.098 18.563 19.000 -0.564 0.000 0.988 52 A HN 0.982 nan 8.150 nan 0.000 0.509 53 D N 1.116 121.457 120.400 -0.099 0.000 2.451 53 D HA 0.403 5.043 4.640 -0.000 0.000 0.259 53 D C 1.067 177.353 176.300 -0.023 0.000 1.201 53 D CA 0.068 54.042 54.000 -0.045 0.000 1.028 53 D CB 1.203 41.980 40.800 -0.040 0.000 1.095 53 D HN 0.437 nan 8.370 nan 0.000 0.539 54 A N 0.140 122.953 122.820 -0.011 0.000 2.019 54 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 54 A C 1.981 179.553 177.584 -0.020 0.000 1.164 54 A CA 1.361 53.391 52.037 -0.012 0.000 0.644 54 A CB -0.448 18.540 19.000 -0.020 0.000 0.805 54 A HN 0.502 nan 8.150 nan 0.000 0.449 55 K N -0.889 119.497 120.400 -0.022 0.000 2.365 55 K HA 0.046 4.366 4.320 -0.000 0.000 0.197 55 K C 1.842 178.441 176.600 -0.002 0.000 1.042 55 K CA 1.297 57.572 56.287 -0.019 0.000 0.987 55 K CB -0.051 32.439 32.500 -0.016 0.000 0.779 55 K HN 0.478 nan 8.250 nan 0.000 0.484 56 T N 0.133 114.687 114.554 0.000 0.000 2.755 56 T HA -0.098 4.252 4.350 -0.000 0.000 0.251 56 T C 1.908 176.654 174.700 0.078 0.000 1.044 56 T CA 1.472 63.587 62.100 0.026 0.000 1.154 56 T CB -0.354 68.500 68.868 -0.023 0.000 0.866 56 T HN 0.092 nan 8.240 nan 0.000 0.416 57 V N 1.053 121.021 119.914 0.091 0.000 2.546 57 V HA -0.203 3.917 4.120 -0.000 0.000 0.254 57 V C 2.374 178.510 176.094 0.069 0.000 1.076 57 V CA 1.728 64.103 62.300 0.126 0.000 1.087 57 V CB -1.039 30.854 31.823 0.116 0.000 0.674 57 V HN 0.357 nan 8.190 nan 0.000 0.470 58 Q N 1.768 121.592 119.800 0.039 0.000 2.170 58 Q HA -0.215 4.125 4.340 -0.000 0.000 0.203 58 Q C 1.304 177.316 176.000 0.020 0.000 0.976 58 Q CA 2.198 58.013 55.803 0.019 0.000 0.858 58 Q CB -0.016 28.721 28.738 -0.002 0.000 0.907 58 Q HN 1.033 nan 8.270 nan 0.000 0.433 59 D N -3.058 117.359 120.400 0.028 0.000 2.556 59 D HA 0.049 4.689 4.640 -0.000 0.000 0.237 59 D C 0.835 177.151 176.300 0.028 0.000 1.296 59 D CA 0.091 54.105 54.000 0.022 0.000 0.807 59 D CB 0.144 40.954 40.800 0.017 0.000 1.084 59 D HN -0.029 nan 8.370 nan 0.000 0.510 60 T N -1.222 113.359 114.554 0.045 0.000 2.955 60 T HA 0.198 4.548 4.350 -0.000 0.000 0.251 60 T C 1.091 175.794 174.700 0.005 0.000 1.002 60 T CA 0.676 62.800 62.100 0.040 0.000 0.970 60 T CB 0.314 69.240 68.868 0.097 0.000 1.091 60 T HN -0.001 nan 8.240 nan 0.000 0.495 61 V N 0.253 120.178 119.914 0.018 0.000 3.029 61 V HA 0.143 4.263 4.120 -0.000 0.000 0.230 61 V C 2.591 178.684 176.094 -0.002 0.000 1.254 61 V CA 1.054 63.348 62.300 -0.009 0.000 1.276 61 V CB -0.252 31.571 31.823 -0.000 0.000 1.080 61 V HN 0.315 nan 8.190 nan 0.000 0.495 62 T N 0.097 114.659 114.554 0.013 0.000 2.588 62 T HA -0.225 4.125 4.350 -0.000 0.000 0.261 62 T C 1.866 176.566 174.700 0.000 0.000 1.069 62 T CA 1.683 63.788 62.100 0.008 0.000 1.172 62 T CB -0.348 68.529 68.868 0.014 0.000 0.863 62 T HN 0.324 nan 8.240 nan 0.000 0.408 63 Q N 0.415 120.216 119.800 0.002 0.000 2.234 63 Q HA -0.089 4.251 4.340 -0.000 0.000 0.206 63 Q C 2.562 178.558 176.000 -0.007 0.000 0.980 63 Q CA 0.983 56.785 55.803 -0.002 0.000 0.869 63 Q CB -0.478 28.261 28.738 0.002 0.000 0.912 63 Q HN 0.365 nan 8.270 nan 0.000 0.436 64 V N 0.624 120.533 119.914 -0.008 0.000 2.358 64 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 64 V C 2.106 178.190 176.094 -0.017 0.000 1.047 64 V CA 1.494 63.786 62.300 -0.014 0.000 1.035 64 V CB -0.354 31.458 31.823 -0.019 0.000 0.658 64 V HN 0.294 nan 8.190 nan 0.000 0.452 65 I N -0.432 120.129 120.570 -0.017 0.000 2.286 65 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 65 I C 2.605 178.711 176.117 -0.019 0.000 1.104 65 I CA 1.191 62.480 61.300 -0.017 0.000 1.397 65 I CB -0.332 37.658 38.000 -0.015 0.000 1.072 65 I HN 0.328 nan 8.210 nan 0.000 0.417 66 E N 0.523 120.712 120.200 -0.019 0.000 2.085 66 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 66 E C 2.122 178.706 176.600 -0.026 0.000 0.994 66 E CA 1.318 57.703 56.400 -0.025 0.000 0.801 66 E CB -0.253 29.434 29.700 -0.021 0.000 0.743 66 E HN 0.629 nan 8.360 nan 0.000 0.453 67 Q N 0.199 119.987 119.800 -0.020 0.000 2.172 67 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 67 Q C 0.870 176.858 176.000 -0.020 0.000 0.964 67 Q CA 0.551 56.342 55.803 -0.020 0.000 0.855 67 Q CB -0.071 28.658 28.738 -0.015 0.000 0.918 67 Q HN 0.145 nan 8.270 nan 0.000 0.444 68 N N 0.059 118.747 118.700 -0.019 0.000 2.575 68 N HA 0.178 4.918 4.740 -0.000 0.000 0.275 68 N C -0.988 174.511 175.510 -0.019 0.000 1.202 68 N CA -0.161 52.878 53.050 -0.018 0.000 0.945 68 N CB 0.315 38.792 38.487 -0.017 0.000 1.247 68 N HN -0.010 nan 8.380 nan 0.000 0.510 69 M N 1.940 121.525 119.600 -0.024 0.000 1.949 69 M HA 0.287 4.767 4.480 -0.000 0.000 0.234 69 M C -1.711 174.568 176.300 -0.036 0.000 0.855 69 M CA -0.585 54.698 55.300 -0.029 0.000 0.800 69 M CB 0.228 32.806 32.600 -0.036 0.000 1.697 69 M HN 0.102 nan 8.290 nan 0.000 0.357 70 N N 0.722 119.406 118.700 -0.027 0.000 2.825 70 N HA 0.721 5.461 4.740 -0.000 0.000 0.253 70 N C -0.065 175.435 175.510 -0.017 0.000 1.426 70 N CA -0.304 52.729 53.050 -0.029 0.000 0.851 70 N CB 0.846 39.317 38.487 -0.027 0.000 1.470 70 N HN 0.471 nan 8.380 nan 0.000 0.517 71 G N -0.311 108.479 108.800 -0.017 0.000 2.289 71 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.280 71 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.280 71 G C -0.936 173.968 174.900 0.006 0.000 1.089 71 G CA 0.264 45.360 45.100 -0.006 0.000 0.939 71 G HN 0.611 nan 8.290 nan 0.000 0.499 72 I N 0.706 121.281 120.570 0.008 0.000 2.406 72 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 72 I C -0.329 175.819 176.117 0.051 0.000 0.999 72 I CA -1.025 60.302 61.300 0.045 0.000 1.124 72 I CB 1.557 39.596 38.000 0.065 0.000 1.289 72 I HN 0.025 nan 8.210 nan 0.000 0.441 73 D N 7.276 127.720 120.400 0.073 0.000 2.383 73 D HA 0.099 4.739 4.640 -0.000 0.000 0.252 73 D C -0.293 176.081 176.300 0.124 0.000 1.166 73 D CA 0.278 54.318 54.000 0.067 0.000 0.879 73 D CB 0.434 41.262 40.800 0.046 0.000 1.164 73 D HN 0.497 nan 8.370 nan 0.000 0.462 74 N N 0.922 119.672 118.700 0.083 0.000 3.886 74 N HA -0.196 4.544 4.740 -0.000 0.000 0.294 74 N C -1.382 174.162 175.510 0.057 0.000 2.109 74 N CA 0.265 53.376 53.050 0.101 0.000 2.630 74 N CB -0.278 38.306 38.487 0.161 0.000 0.502 74 N HN 0.330 nan 8.380 nan 0.000 0.624 75 L N 2.486 123.648 121.223 -0.102 0.000 2.703 75 L HA 0.302 4.642 4.340 -0.000 0.000 0.257 75 L C 0.281 177.001 176.870 -0.250 0.000 0.923 75 L CA -0.380 54.264 54.840 -0.326 0.000 0.936 75 L CB 1.758 43.601 42.059 -0.360 0.000 1.482 75 L HN 0.669 nan 8.230 nan 0.000 0.432 76 M N 2.477 121.860 119.600 -0.361 0.000 2.751 76 M HA 0.281 4.761 4.480 -0.000 0.000 0.252 76 M C -0.774 175.436 176.300 -0.151 0.000 1.264 76 M CA 0.841 55.992 55.300 -0.249 0.000 1.237 76 M CB 0.375 32.763 32.600 -0.353 0.000 1.242 76 M HN 0.580 nan 8.290 nan 0.000 0.525 77 Y N -0.766 119.406 120.300 -0.214 0.000 2.788 77 Y HA 0.672 5.222 4.550 -0.000 0.000 0.335 77 Y C -1.173 174.517 175.900 -0.349 0.000 1.287 77 Y CA -2.499 55.415 58.100 -0.310 0.000 1.068 77 Y CB 0.697 38.940 38.460 -0.361 0.000 1.340 77 Y HN 0.132 nan 8.280 nan 0.000 0.449 78 M N 1.513 121.004 119.600 -0.182 0.000 2.393 78 M HA 0.895 5.375 4.480 -0.000 0.000 0.299 78 M C -1.423 174.772 176.300 -0.175 0.000 1.103 78 M CA -0.609 54.598 55.300 -0.155 0.000 0.910 78 M CB 2.643 35.146 32.600 -0.162 0.000 1.659 78 M HN 0.848 nan 8.290 nan 0.000 0.445 79 S N 1.352 117.039 115.700 -0.022 0.000 2.568 79 S HA 0.927 5.397 4.470 -0.000 0.000 0.293 79 S C -0.717 173.910 174.600 0.045 0.000 1.089 79 S CA -0.458 57.768 58.200 0.044 0.000 0.945 79 S CB 1.869 65.166 63.200 0.163 0.000 1.077 79 S HN 1.172 nan 8.310 nan 0.000 0.485 80 S N 1.477 117.211 115.700 0.057 0.000 2.546 80 S HA 0.645 5.115 4.470 -0.000 0.000 0.274 80 S C -2.059 172.572 174.600 0.052 0.000 1.121 80 S CA -0.813 57.414 58.200 0.044 0.000 0.887 80 S CB 1.214 64.428 63.200 0.024 0.000 1.094 80 S HN 0.710 nan 8.310 nan 0.000 0.474 81 N N 2.331 121.060 118.700 0.047 0.000 2.540 81 N HA 0.340 5.080 4.740 -0.000 0.000 0.275 81 N C -1.522 174.010 175.510 0.037 0.000 1.053 81 N CA -0.458 52.619 53.050 0.045 0.000 0.876 81 N CB 1.902 40.423 38.487 0.056 0.000 1.284 81 N HN 0.524 nan 8.380 nan 0.000 0.518 82 S N 1.286 117.001 115.700 0.025 0.000 2.464 82 S HA 0.228 4.698 4.470 -0.000 0.000 0.313 82 S C -0.051 174.561 174.600 0.019 0.000 1.078 82 S CA -0.661 57.553 58.200 0.022 0.000 1.096 82 S CB 0.387 63.594 63.200 0.012 0.000 1.032 82 S HN 0.397 nan 8.310 nan 0.000 0.498 83 D N 1.495 121.914 120.400 0.031 0.000 2.344 83 D HA 0.171 4.811 4.640 -0.000 0.000 0.244 83 D C 1.246 177.561 176.300 0.026 0.000 1.134 83 D CA -0.086 53.933 54.000 0.032 0.000 0.930 83 D CB 0.755 41.581 40.800 0.043 0.000 1.175 83 D HN 0.437 nan 8.370 nan 0.000 0.437 84 S N -1.007 114.708 115.700 0.026 0.000 2.489 84 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 84 S C 1.479 176.092 174.600 0.022 0.000 0.995 84 S CA 0.354 58.567 58.200 0.021 0.000 0.934 84 S CB -0.182 63.036 63.200 0.029 0.000 0.771 84 S HN 0.459 nan 8.310 nan 0.000 0.522 85 T N 1.394 115.967 114.554 0.032 0.000 3.113 85 T HA 0.340 4.690 4.350 -0.000 0.000 0.263 85 T C 1.306 176.024 174.700 0.031 0.000 1.143 85 T CA 0.574 62.695 62.100 0.034 0.000 1.090 85 T CB -0.669 68.224 68.868 0.043 0.000 0.922 85 T HN 0.960 nan 8.240 nan 0.000 0.521 86 G N 2.479 111.296 108.800 0.028 0.000 2.248 86 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.252 86 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.252 86 G C 0.026 174.976 174.900 0.083 0.000 1.085 86 G CA -0.063 45.062 45.100 0.043 0.000 0.845 86 G HN 0.791 nan 8.290 nan 0.000 0.494 87 T N -3.019 111.575 114.554 0.066 0.000 2.928 87 T HA 0.701 5.051 4.350 -0.000 0.000 0.296 87 T C -0.631 174.102 174.700 0.054 0.000 1.000 87 T CA -0.420 61.718 62.100 0.062 0.000 0.989 87 T CB 2.864 71.761 68.868 0.049 0.000 1.005 87 T HN 1.302 nan 8.240 nan 0.000 0.442 88 V N 2.924 122.868 119.914 0.051 0.000 2.735 88 V HA 0.781 4.901 4.120 -0.000 0.000 0.310 88 V C -1.343 174.771 176.094 0.033 0.000 1.061 88 V CA -0.580 61.745 62.300 0.041 0.000 0.913 88 V CB 1.789 33.636 31.823 0.040 0.000 1.005 88 V HN 1.132 nan 8.190 nan 0.000 0.428 89 Q N 5.712 125.533 119.800 0.035 0.000 2.285 89 Q HA 0.630 4.970 4.340 -0.000 0.000 0.269 89 Q C -2.215 173.806 176.000 0.035 0.000 1.030 89 Q CA -0.706 55.117 55.803 0.033 0.000 0.788 89 Q CB 2.273 31.034 28.738 0.038 0.000 1.266 89 Q HN 0.695 nan 8.270 nan 0.000 0.438 90 I N 2.810 123.397 120.570 0.028 0.000 2.389 90 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 90 I C -0.545 175.588 176.117 0.027 0.000 0.999 90 I CA -0.272 61.042 61.300 0.023 0.000 1.129 90 I CB 2.290 40.294 38.000 0.007 0.000 1.288 90 I HN 0.588 nan 8.210 nan 0.000 0.444 91 T N 6.968 121.544 114.554 0.037 0.000 2.794 91 T HA 0.681 5.031 4.350 -0.000 0.000 0.280 91 T C -0.415 174.284 174.700 -0.002 0.000 0.987 91 T CA -0.464 61.661 62.100 0.043 0.000 0.993 91 T CB 1.030 69.945 68.868 0.079 0.000 0.939 91 T HN 0.145 nan 8.240 nan 0.000 0.449 92 L N 3.207 124.409 121.223 -0.035 0.000 2.325 92 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 92 L C 0.288 176.987 176.870 -0.285 0.000 1.004 92 L CA -0.370 54.345 54.840 -0.209 0.000 0.823 92 L CB 1.879 43.788 42.059 -0.250 0.000 1.236 92 L HN 0.658 nan 8.230 nan 0.000 0.415 93 T N 3.199 117.453 114.554 -0.501 0.000 2.767 93 T HA 0.609 4.959 4.350 -0.000 0.000 0.284 93 T C -0.330 174.035 174.700 -0.558 0.000 0.973 93 T CA -0.228 61.606 62.100 -0.443 0.000 0.996 93 T CB 0.463 68.953 68.868 -0.630 0.000 0.927 93 T HN 0.024 nan 8.240 nan 0.000 0.456 94 F N 0.968 120.799 119.950 -0.198 0.000 2.457 94 F HA 0.411 4.938 4.527 -0.000 0.000 0.330 94 F C 1.072 176.800 175.800 -0.119 0.000 1.069 94 F CA -1.380 56.534 58.000 -0.144 0.000 1.009 94 F CB 0.712 39.656 39.000 -0.094 0.000 1.276 94 F HN 0.382 nan 8.300 nan 0.000 0.492 95 E N -0.136 120.126 120.200 0.104 0.000 2.404 95 E HA 0.013 4.363 4.350 -0.000 0.000 0.261 95 E C -0.282 176.344 176.600 0.045 0.000 1.074 95 E CA -0.150 56.274 56.400 0.040 0.000 0.917 95 E CB 0.800 30.515 29.700 0.025 0.000 0.965 95 E HN 0.406 nan 8.360 nan 0.000 0.433 96 S N 0.401 116.112 115.700 0.019 0.000 2.515 96 S HA 0.304 4.774 4.470 -0.000 0.000 0.285 96 S C 1.050 175.660 174.600 0.016 0.000 1.265 96 S CA 0.855 59.065 58.200 0.017 0.000 1.079 96 S CB -0.308 62.897 63.200 0.008 0.000 0.877 96 S HN 0.697 nan 8.310 nan 0.000 0.493 97 G N 3.499 112.309 108.800 0.017 0.000 2.195 97 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.224 97 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.224 97 G C 0.211 175.110 174.900 -0.002 0.000 0.990 97 G CA 0.046 45.154 45.100 0.013 0.000 0.639 97 G HN 0.819 nan 8.290 nan 0.000 0.514 98 T N 1.558 116.109 114.554 -0.004 0.000 2.888 98 T HA 0.388 4.738 4.350 -0.000 0.000 0.301 98 T C 0.153 174.803 174.700 -0.083 0.000 1.001 98 T CA 0.568 62.650 62.100 -0.029 0.000 1.147 98 T CB 1.320 70.189 68.868 0.002 0.000 0.931 98 T HN 0.344 nan 8.240 nan 0.000 0.541 99 D N 2.031 122.378 120.400 -0.089 0.000 2.389 99 D HA 0.238 4.878 4.640 -0.000 0.000 0.263 99 D C 1.039 177.231 176.300 -0.180 0.000 1.255 99 D CA -0.081 53.856 54.000 -0.104 0.000 0.914 99 D CB 0.407 41.161 40.800 -0.077 0.000 1.116 99 D HN 0.547 nan 8.370 nan 0.000 0.502 100 A N 4.066 126.783 122.820 -0.173 0.000 2.067 100 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 100 A C 1.831 179.298 177.584 -0.194 0.000 1.158 100 A CA 0.898 52.798 52.037 -0.228 0.000 0.661 100 A CB -0.112 18.798 19.000 -0.150 0.000 0.801 100 A HN 0.669 nan 8.150 nan 0.000 0.452 101 D N -0.354 119.966 120.400 -0.132 0.000 2.117 101 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 101 D C 1.733 177.969 176.300 -0.107 0.000 0.987 101 D CA 1.612 55.553 54.000 -0.098 0.000 0.829 101 D CB -0.087 40.672 40.800 -0.067 0.000 0.961 101 D HN 0.502 nan 8.370 nan 0.000 0.460 102 I N 0.696 121.193 120.570 -0.122 0.000 2.584 102 I HA -0.013 4.157 4.170 -0.000 0.000 0.255 102 I C 2.096 178.116 176.117 -0.161 0.000 1.145 102 I CA 0.693 61.928 61.300 -0.110 0.000 1.462 102 I CB -0.088 37.864 38.000 -0.080 0.000 1.102 102 I HN -0.146 nan 8.210 nan 0.000 0.433 103 A N -0.012 122.625 122.820 -0.306 0.000 1.978 103 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 103 A C 2.346 179.695 177.584 -0.391 0.000 1.170 103 A CA 1.994 53.674 52.037 -0.594 0.000 0.636 103 A CB -0.811 17.409 19.000 -1.300 0.000 0.810 103 A HN 0.665 nan 8.150 nan 0.000 0.448 104 Q N -0.044 119.608 119.800 -0.246 0.000 2.016 104 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 104 Q C 2.027 178.001 176.000 -0.043 0.000 0.978 104 Q CA 2.173 57.913 55.803 -0.105 0.000 0.833 104 Q CB -0.273 28.414 28.738 -0.086 0.000 0.895 104 Q HN 0.424 nan 8.270 nan 0.000 0.427 105 V N 1.548 121.430 119.914 -0.053 0.000 2.252 105 V HA -0.346 3.774 4.120 -0.000 0.000 0.249 105 V C 2.406 178.498 176.094 -0.004 0.000 1.056 105 V CA 2.380 64.665 62.300 -0.027 0.000 1.022 105 V CB -0.969 30.835 31.823 -0.031 0.000 0.641 105 V HN 0.457 nan 8.190 nan 0.000 0.445 106 Q N -0.790 119.013 119.800 0.005 0.000 2.152 106 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 106 Q C 2.356 178.388 176.000 0.055 0.000 0.985 106 Q CA 1.910 57.734 55.803 0.036 0.000 0.863 106 Q CB -0.387 28.391 28.738 0.067 0.000 0.904 106 Q HN 0.557 nan 8.270 nan 0.000 0.422 107 V N 0.529 120.492 119.914 0.082 0.000 2.788 107 V HA -0.195 3.925 4.120 -0.000 0.000 0.251 107 V C 2.090 178.206 176.094 0.037 0.000 1.068 107 V CA 1.786 64.133 62.300 0.077 0.000 1.090 107 V CB 0.098 32.004 31.823 0.138 0.000 0.710 107 V HN 0.411 nan 8.190 nan 0.000 0.467 108 Q N -0.837 118.977 119.800 0.024 0.000 2.376 108 Q HA -0.002 4.338 4.340 -0.000 0.000 0.206 108 Q C 1.482 177.482 176.000 0.000 0.000 0.921 108 Q CA 1.483 57.291 55.803 0.008 0.000 0.911 108 Q CB -0.099 28.640 28.738 0.001 0.000 1.032 108 Q HN 0.498 nan 8.270 nan 0.000 0.510 109 N N -0.113 118.588 118.700 0.002 0.000 2.373 109 N HA 0.006 4.746 4.740 -0.000 0.000 0.181 109 N C 0.873 176.382 175.510 -0.002 0.000 1.082 109 N CA 0.626 53.675 53.050 -0.003 0.000 0.885 109 N CB 0.341 38.825 38.487 -0.004 0.000 0.977 109 N HN 0.153 nan 8.380 nan 0.000 0.462 110 K N 0.901 121.302 120.400 0.002 0.000 2.262 110 K HA 0.211 4.531 4.320 -0.000 0.000 0.200 110 K C 1.700 178.296 176.600 -0.006 0.000 1.049 110 K CA 0.333 56.619 56.287 -0.001 0.000 0.979 110 K CB -0.235 32.267 32.500 0.003 0.000 0.773 110 K HN 0.069 nan 8.250 nan 0.000 0.474 111 L N 0.932 122.152 121.223 -0.004 0.000 2.017 111 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 111 L C 2.049 178.910 176.870 -0.015 0.000 1.073 111 L CA 1.582 56.416 54.840 -0.010 0.000 0.745 111 L CB -0.278 41.777 42.059 -0.007 0.000 0.894 111 L HN 0.401 nan 8.230 nan 0.000 0.432 112 Q N 0.485 120.277 119.800 -0.014 0.000 2.408 112 Q HA -0.091 4.249 4.340 -0.000 0.000 0.214 112 Q C 0.973 176.963 176.000 -0.017 0.000 0.957 112 Q CA 0.472 56.264 55.803 -0.017 0.000 0.965 112 Q CB 0.044 28.773 28.738 -0.016 0.000 0.991 112 Q HN 0.665 nan 8.270 nan 0.000 0.505 113 L N -1.581 119.632 121.223 -0.016 0.000 2.749 113 L HA 0.345 4.685 4.340 -0.000 0.000 0.242 113 L C 1.682 178.542 176.870 -0.018 0.000 1.103 113 L CA 0.501 55.332 54.840 -0.016 0.000 0.906 113 L CB 0.176 42.227 42.059 -0.013 0.000 1.228 113 L HN 0.103 nan 8.230 nan 0.000 0.517 114 A N -0.657 122.151 122.820 -0.020 0.000 2.348 114 A HA 0.155 4.475 4.320 -0.000 0.000 0.224 114 A C 2.073 179.639 177.584 -0.031 0.000 1.227 114 A CA -0.038 51.984 52.037 -0.024 0.000 0.885 114 A CB 0.014 19.000 19.000 -0.023 0.000 0.933 114 A HN 0.095 nan 8.150 nan 0.000 0.506 115 M N 0.449 120.030 119.600 -0.031 0.000 2.080 115 M HA -0.062 4.418 4.480 -0.000 0.000 0.260 115 M C -0.979 175.295 176.300 -0.043 0.000 1.068 115 M CA 1.436 56.713 55.300 -0.039 0.000 1.109 115 M CB -1.945 30.634 32.600 -0.035 0.000 1.342 115 M HN 0.132 nan 8.290 nan 0.000 0.405 116 P HA 0.018 nan 4.420 nan 0.000 0.245 116 P C 1.020 178.298 177.300 -0.035 0.000 1.212 116 P CA 0.622 63.701 63.100 -0.035 0.000 0.774 116 P CB 0.032 31.716 31.700 -0.026 0.000 0.999 117 L N -1.186 120.015 121.223 -0.036 0.000 2.653 117 L HA 0.249 4.589 4.340 -0.000 0.000 0.231 117 L C 0.617 177.459 176.870 -0.047 0.000 1.153 117 L CA 0.336 55.155 54.840 -0.035 0.000 0.933 117 L CB -0.798 41.244 42.059 -0.027 0.000 1.175 117 L HN 0.033 nan 8.230 nan 0.000 0.473 118 L N -0.048 121.137 121.223 -0.065 0.000 2.330 118 L HA 0.462 4.802 4.340 -0.000 0.000 0.271 118 L C -2.066 174.729 176.870 -0.126 0.000 1.013 118 L CA -1.961 52.819 54.840 -0.099 0.000 0.816 118 L CB 1.340 43.334 42.059 -0.109 0.000 1.287 118 L HN -0.136 nan 8.230 nan 0.000 0.435 119 P HA -0.023 nan 4.420 nan 0.000 0.266 119 P C -0.204 176.978 177.300 -0.196 0.000 1.195 119 P CA -0.181 62.785 63.100 -0.222 0.000 0.768 119 P CB 0.404 31.823 31.700 -0.468 0.000 0.838 120 Q N 1.066 120.797 119.800 -0.115 0.000 2.364 120 Q HA -0.173 4.167 4.340 -0.000 0.000 0.207 120 Q C 0.899 176.847 176.000 -0.086 0.000 0.970 120 Q CA 1.409 57.164 55.803 -0.081 0.000 0.888 120 Q CB -0.370 28.348 28.738 -0.034 0.000 0.951 120 Q HN 0.386 nan 8.270 nan 0.000 0.469 121 E N 0.737 120.879 120.200 -0.096 0.000 2.152 121 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 121 E C 1.863 178.379 176.600 -0.139 0.000 0.983 121 E CA 0.964 57.336 56.400 -0.046 0.000 0.818 121 E CB 0.084 29.861 29.700 0.129 0.000 0.758 121 E HN 0.154 nan 8.360 nan 0.000 0.467 122 V N 0.525 120.267 119.914 -0.287 0.000 2.649 122 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 122 V C 1.966 177.958 176.094 -0.169 0.000 1.054 122 V CA 1.431 63.581 62.300 -0.249 0.000 1.073 122 V CB -0.139 31.472 31.823 -0.354 0.000 0.699 122 V HN 0.258 nan 8.190 nan 0.000 0.463 123 Q N -0.113 119.593 119.800 -0.157 0.000 2.119 123 Q HA -0.245 4.095 4.340 -0.000 0.000 0.201 123 Q C 2.172 178.096 176.000 -0.127 0.000 0.972 123 Q CA 1.803 57.535 55.803 -0.118 0.000 0.847 123 Q CB -0.101 28.581 28.738 -0.095 0.000 0.903 123 Q HN 0.816 nan 8.270 nan 0.000 0.433 124 Q N -0.129 119.573 119.800 -0.162 0.000 2.444 124 Q HA 0.011 4.351 4.340 -0.000 0.000 0.206 124 Q C 0.425 176.201 176.000 -0.373 0.000 0.948 124 Q CA 0.127 55.784 55.803 -0.243 0.000 0.946 124 Q CB 0.351 28.939 28.738 -0.251 0.000 1.027 124 Q HN 0.099 nan 8.270 nan 0.000 0.513 125 Q N 0.590 120.235 119.800 -0.258 0.000 2.166 125 Q HA 0.481 4.821 4.340 -0.000 0.000 0.226 125 Q C -0.409 175.518 176.000 -0.123 0.000 0.989 125 Q CA -0.021 55.661 55.803 -0.203 0.000 0.966 125 Q CB 1.216 29.888 28.738 -0.109 0.000 1.173 125 Q HN 0.360 nan 8.270 nan 0.000 0.509 126 G N 0.385 109.140 108.800 -0.074 0.000 2.605 126 G HA2 0.366 4.326 3.960 -0.000 0.000 0.301 126 G HA3 0.366 4.326 3.960 -0.000 0.000 0.301 126 G C -0.755 174.122 174.900 -0.039 0.000 0.881 126 G CA -0.360 44.711 45.100 -0.048 0.000 1.553 126 G HN 0.335 nan 8.290 nan 0.000 0.483 127 V N 1.809 121.696 119.914 -0.045 0.000 2.455 127 V HA 0.500 4.620 4.120 -0.000 0.000 0.273 127 V C 0.304 176.382 176.094 -0.025 0.000 1.045 127 V CA -0.536 61.743 62.300 -0.035 0.000 0.976 127 V CB 0.829 32.628 31.823 -0.041 0.000 0.993 127 V HN 0.552 nan 8.190 nan 0.000 0.475 128 S N 3.413 119.103 115.700 -0.017 0.000 2.547 128 S HA 0.700 5.170 4.470 -0.000 0.000 0.281 128 S C -0.621 173.976 174.600 -0.005 0.000 1.118 128 S CA -0.633 57.559 58.200 -0.012 0.000 0.947 128 S CB 2.072 65.265 63.200 -0.012 0.000 1.053 128 S HN 0.485 nan 8.310 nan 0.000 0.482 129 V N 3.805 123.716 119.914 -0.004 0.000 2.407 129 V HA 0.533 4.653 4.120 -0.000 0.000 0.291 129 V C -0.292 175.802 176.094 0.000 0.000 1.018 129 V CA -0.525 61.777 62.300 0.003 0.000 0.842 129 V CB 1.258 33.083 31.823 0.003 0.000 0.996 129 V HN 1.000 nan 8.190 nan 0.000 0.426 130 E N 3.411 123.615 120.200 0.006 0.000 2.445 130 E HA 0.688 5.038 4.350 -0.000 0.000 0.273 130 E C -1.529 175.075 176.600 0.006 0.000 0.961 130 E CA -1.430 54.971 56.400 0.002 0.000 0.807 130 E CB 2.238 31.939 29.700 0.002 0.000 1.362 130 E HN 0.273 nan 8.360 nan 0.000 0.453 131 K N 0.689 121.089 120.400 0.000 0.000 2.227 131 K HA 0.279 4.599 4.320 -0.000 0.000 0.280 131 K C -0.526 176.081 176.600 0.011 0.000 1.041 131 K CA -0.220 56.068 56.287 0.001 0.000 0.905 131 K CB 1.641 34.135 32.500 -0.010 0.000 1.068 131 K HN 0.356 nan 8.250 nan 0.000 0.470 132 S N 1.703 117.418 115.700 0.025 0.000 2.545 132 S HA 0.358 4.828 4.470 -0.000 0.000 0.275 132 S C -0.625 173.990 174.600 0.025 0.000 1.299 132 S CA -0.315 57.903 58.200 0.030 0.000 1.048 132 S CB 0.241 63.472 63.200 0.053 0.000 0.938 132 S HN 0.485 nan 8.310 nan 0.000 0.496 133 S N 2.833 118.540 115.700 0.012 0.000 2.548 133 S HA 0.098 4.568 4.470 -0.000 0.000 0.168 133 S C -0.399 174.189 174.600 -0.020 0.000 1.068 133 S CA -0.720 57.483 58.200 0.007 0.000 1.129 133 S CB 0.760 63.962 63.200 0.004 0.000 1.435 133 S HN 0.720 nan 8.310 nan 0.000 0.410 134 S N 2.369 118.088 115.700 0.031 0.000 3.844 134 S HA 0.278 4.748 4.470 -0.000 0.000 0.193 134 S C 0.330 174.965 174.600 0.058 0.000 1.255 134 S CA -0.429 57.831 58.200 0.099 0.000 1.028 134 S CB -0.934 62.384 63.200 0.197 0.000 1.436 134 S HN 0.782 nan 8.310 nan 0.000 0.442 135 S N 0.149 115.804 115.700 -0.074 0.000 2.590 135 S HA 0.557 5.026 4.470 -0.000 0.000 0.286 135 S C -0.649 173.877 174.600 -0.124 0.000 1.147 135 S CA -1.034 57.145 58.200 -0.036 0.000 0.963 135 S CB -0.148 63.089 63.200 0.060 0.000 1.124 135 S HN 0.216 nan 8.310 nan 0.000 0.458 136 F N 2.160 122.157 119.950 0.078 0.000 2.378 136 F HA 0.622 5.149 4.527 -0.000 0.000 0.319 136 F C 1.428 177.266 175.800 0.064 0.000 1.155 136 F CA -0.629 57.348 58.000 -0.038 0.000 1.157 136 F CB 0.682 39.490 39.000 -0.319 0.000 1.252 136 F HN 0.680 nan 8.300 nan 0.000 0.550 137 L N -1.293 120.102 121.223 0.287 0.000 2.678 137 L HA 0.412 4.752 4.340 -0.000 0.000 0.187 137 L C 0.190 177.208 176.870 0.248 0.000 1.073 137 L CA -0.355 54.656 54.840 0.285 0.000 0.883 137 L CB 0.037 42.218 42.059 0.203 0.000 1.501 137 L HN 0.325 nan 8.230 nan 0.000 0.488 138 M N 2.943 122.651 119.600 0.179 0.000 2.055 138 M HA 0.402 4.882 4.480 -0.000 0.000 0.346 138 M C -1.249 175.095 176.300 0.074 0.000 1.074 138 M CA -0.224 55.158 55.300 0.137 0.000 1.009 138 M CB 1.633 34.308 32.600 0.125 0.000 1.423 138 M HN 0.005 nan 8.290 nan 0.000 0.410 139 V N 5.602 125.511 119.914 -0.009 0.000 2.259 139 V HA 0.224 4.344 4.120 -0.000 0.000 0.267 139 V C 0.085 176.042 176.094 -0.228 0.000 1.051 139 V CA -0.742 61.440 62.300 -0.196 0.000 0.830 139 V CB 0.750 32.305 31.823 -0.447 0.000 1.080 139 V HN 0.542 nan 8.190 nan 0.000 0.467 140 V N 3.017 122.840 119.914 -0.152 0.000 2.389 140 V HA 0.528 4.648 4.120 -0.000 0.000 0.264 140 V C 1.144 177.054 176.094 -0.306 0.000 1.049 140 V CA -0.307 61.886 62.300 -0.179 0.000 0.932 140 V CB 0.697 32.482 31.823 -0.064 0.000 1.011 140 V HN 0.759 nan 8.190 nan 0.000 0.475 141 G N 3.767 112.313 108.800 -0.424 0.000 2.370 141 G HA2 0.503 4.463 3.960 -0.000 0.000 0.272 141 G HA3 0.503 4.463 3.960 -0.000 0.000 0.272 141 G C -0.540 174.148 174.900 -0.353 0.000 1.208 141 G CA -0.306 44.569 45.100 -0.375 0.000 0.856 141 G HN 0.687 nan 8.290 nan 0.000 0.500 142 V N 4.066 123.850 119.914 -0.217 0.000 2.376 142 V HA 0.483 4.603 4.120 -0.000 0.000 0.287 142 V C 0.247 176.226 176.094 -0.190 0.000 1.015 142 V CA -0.653 61.505 62.300 -0.237 0.000 0.834 142 V CB 0.435 32.134 31.823 -0.206 0.000 1.001 142 V HN 0.813 nan 8.190 nan 0.000 0.428 143 I N 1.335 121.771 120.570 -0.223 0.000 3.023 143 I HA 0.742 4.912 4.170 -0.000 0.000 0.312 143 I C -0.504 175.545 176.117 -0.115 0.000 1.056 143 I CA -0.588 60.629 61.300 -0.139 0.000 1.033 143 I CB 2.228 40.151 38.000 -0.128 0.000 1.233 143 I HN 0.471 nan 8.210 nan 0.000 0.462 144 N N 0.548 119.212 118.700 -0.060 0.000 2.269 144 N HA 0.463 5.203 4.740 -0.000 0.000 0.304 144 N C -0.314 175.187 175.510 -0.015 0.000 1.072 144 N CA 0.072 53.094 53.050 -0.047 0.000 0.802 144 N CB 2.290 40.752 38.487 -0.042 0.000 1.348 144 N HN 0.960 nan 8.380 nan 0.000 0.484 145 T N -0.587 113.960 114.554 -0.011 0.000 3.221 145 T HA 0.075 4.425 4.350 -0.000 0.000 0.250 145 T C 1.054 175.757 174.700 0.005 0.000 0.988 145 T CA 0.235 62.338 62.100 0.005 0.000 1.163 145 T CB -0.095 68.779 68.868 0.010 0.000 1.098 145 T HN 0.407 nan 8.240 nan 0.000 0.422 146 D N 2.298 122.699 120.400 0.003 0.000 2.196 146 D HA 0.181 4.821 4.640 -0.000 0.000 0.228 146 D C 1.545 177.846 176.300 0.001 0.000 1.028 146 D CA 1.055 55.058 54.000 0.004 0.000 0.924 146 D CB -0.704 40.100 40.800 0.007 0.000 1.025 146 D HN 0.471 nan 8.370 nan 0.000 0.438 147 G N 0.686 109.484 108.800 -0.003 0.000 2.778 147 G HA2 0.204 4.164 3.960 -0.000 0.000 0.287 147 G HA3 0.204 4.164 3.960 -0.000 0.000 0.287 147 G C -0.173 174.721 174.900 -0.009 0.000 0.747 147 G CA -0.153 44.944 45.100 -0.006 0.000 1.961 147 G HN 0.193 nan 8.290 nan 0.000 0.539 148 T N 4.139 118.692 114.554 -0.002 0.000 2.822 148 T HA 0.261 4.610 4.350 -0.000 0.000 0.288 148 T C 0.767 175.469 174.700 0.003 0.000 0.991 148 T CA 0.611 62.712 62.100 0.001 0.000 1.176 148 T CB 0.129 69.001 68.868 0.007 0.000 0.951 148 T HN 0.609 nan 8.240 nan 0.000 0.526 149 M N 1.186 120.786 119.600 -0.000 0.000 2.691 149 M HA 0.638 5.117 4.480 -0.000 0.000 0.293 149 M C 0.133 176.441 176.300 0.015 0.000 1.259 149 M CA -1.214 54.091 55.300 0.008 0.000 0.827 149 M CB 1.750 34.345 32.600 -0.008 0.000 1.753 149 M HN 0.492 nan 8.290 nan 0.000 0.465 150 T N -1.414 113.159 114.554 0.033 0.000 2.847 150 T HA 0.249 4.599 4.350 -0.000 0.000 0.279 150 T C 0.591 175.305 174.700 0.023 0.000 0.984 150 T CA -0.723 61.400 62.100 0.039 0.000 0.988 150 T CB 0.645 69.557 68.868 0.074 0.000 1.040 150 T HN 0.814 nan 8.240 nan 0.000 0.528 151 Q N -0.174 119.641 119.800 0.025 0.000 2.336 151 Q HA 0.214 4.554 4.340 -0.000 0.000 0.231 151 Q C 0.297 176.308 176.000 0.018 0.000 0.900 151 Q CA 0.230 56.040 55.803 0.012 0.000 0.966 151 Q CB -0.148 28.593 28.738 0.004 0.000 1.219 151 Q HN 0.865 nan 8.270 nan 0.000 0.412 152 E N -0.053 120.154 120.200 0.011 0.000 2.629 152 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 152 E C 0.812 177.311 176.600 -0.168 0.000 0.977 152 E CA 0.221 56.617 56.400 -0.006 0.000 1.663 152 E CB 0.132 29.919 29.700 0.146 0.000 2.258 152 E HN 0.283 nan 8.360 nan 0.000 1.079 153 D N 0.413 120.761 120.400 -0.088 0.000 2.123 153 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 153 D C 1.794 178.004 176.300 -0.150 0.000 0.976 153 D CA 1.133 55.038 54.000 -0.157 0.000 0.831 153 D CB 0.258 41.064 40.800 0.010 0.000 0.974 153 D HN 0.268 nan 8.370 nan 0.000 0.469 154 I N 0.912 121.438 120.570 -0.074 0.000 2.233 154 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 154 I C 2.465 178.557 176.117 -0.041 0.000 1.093 154 I CA 0.625 61.908 61.300 -0.028 0.000 1.380 154 I CB -0.154 37.826 38.000 -0.033 0.000 1.067 154 I HN -0.148 nan 8.210 nan 0.000 0.413 155 S N 0.358 116.013 115.700 -0.075 0.000 2.387 155 S HA -0.283 4.187 4.470 -0.000 0.000 0.230 155 S C 1.642 176.172 174.600 -0.117 0.000 1.035 155 S CA 2.010 60.166 58.200 -0.073 0.000 1.014 155 S CB -0.518 62.641 63.200 -0.068 0.000 0.836 155 S HN 0.600 nan 8.310 nan 0.000 0.466 156 D N 0.113 120.373 120.400 -0.233 0.000 2.091 156 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 156 D C 1.861 178.116 176.300 -0.076 0.000 0.980 156 D CA 0.824 54.671 54.000 -0.256 0.000 0.831 156 D CB -0.355 40.020 40.800 -0.708 0.000 0.987 156 D HN 0.350 nan 8.370 nan 0.000 0.460 157 Y N 0.628 120.826 120.300 -0.170 0.000 2.274 157 Y HA -0.099 4.451 4.550 -0.000 0.000 0.290 157 Y C 2.055 177.939 175.900 -0.026 0.000 1.145 157 Y CA 1.009 59.067 58.100 -0.071 0.000 1.203 157 Y CB -0.435 37.990 38.460 -0.059 0.000 0.984 157 Y HN -0.043 nan 8.280 nan 0.000 0.533 158 V N 0.036 119.878 119.914 -0.120 0.000 2.343 158 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 158 V C 2.446 178.468 176.094 -0.120 0.000 1.051 158 V CA 1.875 64.084 62.300 -0.151 0.000 1.036 158 V CB -1.350 30.433 31.823 -0.067 0.000 0.654 158 V HN 0.517 nan 8.190 nan 0.000 0.451 159 A N -1.014 121.756 122.820 -0.083 0.000 2.251 159 A HA 0.509 4.829 4.320 -0.000 0.000 0.209 159 A C 1.721 179.271 177.584 -0.057 0.000 1.187 159 A CA 0.929 52.930 52.037 -0.060 0.000 0.823 159 A CB -0.169 18.804 19.000 -0.045 0.000 0.846 159 A HN 0.553 nan 8.150 nan 0.000 0.486 160 A N -1.093 121.682 122.820 -0.075 0.000 2.589 160 A HA 0.455 4.775 4.320 -0.000 0.000 0.283 160 A C 0.710 178.242 177.584 -0.087 0.000 1.187 160 A CA 0.489 52.498 52.037 -0.046 0.000 0.957 160 A CB -0.129 18.884 19.000 0.021 0.000 1.175 160 A HN 0.427 nan 8.150 nan 0.000 0.532 161 N N -1.982 116.616 118.700 -0.170 0.000 2.011 161 N HA 0.161 4.901 4.740 -0.000 0.000 0.254 161 N C 1.216 176.639 175.510 -0.144 0.000 1.205 161 N CA 0.725 53.654 53.050 -0.201 0.000 0.783 161 N CB 0.247 38.470 38.487 -0.440 0.000 1.472 161 N HN 0.221 nan 8.380 nan 0.000 0.524 162 M N -0.273 119.251 119.600 -0.127 0.000 3.112 162 M HA 0.230 4.710 4.480 -0.000 0.000 0.229 162 M C 1.841 178.118 176.300 -0.039 0.000 1.673 162 M CA 0.367 55.630 55.300 -0.061 0.000 1.303 162 M CB -0.319 32.266 32.600 -0.026 0.000 1.159 162 M HN -0.040 nan 8.290 nan 0.000 0.588 163 K N 1.483 121.859 120.400 -0.040 0.000 2.107 163 K HA -0.269 4.051 4.320 -0.000 0.000 0.211 163 K C 1.234 177.822 176.600 -0.020 0.000 1.049 163 K CA 2.620 58.893 56.287 -0.023 0.000 0.927 163 K CB -0.286 32.197 32.500 -0.028 0.000 0.714 163 K HN 0.205 nan 8.250 nan 0.000 0.452 164 D N -0.828 119.554 120.400 -0.030 0.000 2.144 164 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 164 D C 1.665 177.952 176.300 -0.021 0.000 0.984 164 D CA 1.479 55.464 54.000 -0.026 0.000 0.834 164 D CB -0.031 40.750 40.800 -0.032 0.000 0.955 164 D HN 0.461 nan 8.370 nan 0.000 0.465 165 A N -0.000 122.806 122.820 -0.023 0.000 1.935 165 A HA -0.020 4.300 4.320 -0.000 0.000 0.214 165 A C 1.994 179.574 177.584 -0.006 0.000 1.178 165 A CA 0.433 52.459 52.037 -0.018 0.000 0.640 165 A CB -0.290 18.695 19.000 -0.025 0.000 0.825 165 A HN 0.155 nan 8.150 nan 0.000 0.447 166 I N 1.479 122.049 120.570 0.001 0.000 2.142 166 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 166 I C 2.750 178.878 176.117 0.018 0.000 1.078 166 I CA 2.088 63.397 61.300 0.016 0.000 1.343 166 I CB -1.844 36.172 38.000 0.026 0.000 1.046 166 I HN 0.449 nan 8.210 nan 0.000 0.405 167 S N 0.852 116.559 115.700 0.013 0.000 2.400 167 S HA -0.218 4.252 4.470 -0.000 0.000 0.232 167 S C 2.140 176.744 174.600 0.007 0.000 1.025 167 S CA 1.076 59.283 58.200 0.012 0.000 0.993 167 S CB -0.589 62.613 63.200 0.005 0.000 0.808 167 S HN 0.410 nan 8.310 nan 0.000 0.478 168 R N 1.304 121.805 120.500 0.002 0.000 2.073 168 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 168 R C 0.130 176.431 176.300 0.002 0.000 1.120 168 R CA 1.067 57.167 56.100 -0.001 0.000 0.967 168 R CB -0.545 29.751 30.300 -0.007 0.000 0.862 168 R HN 0.346 nan 8.270 nan 0.000 0.436 169 T N 1.887 116.444 114.554 0.005 0.000 2.902 169 T HA -0.029 4.321 4.350 -0.000 0.000 0.301 169 T C -0.039 174.669 174.700 0.013 0.000 1.012 169 T CA 0.757 62.862 62.100 0.008 0.000 1.151 169 T CB 0.834 69.709 68.868 0.012 0.000 0.946 169 T HN 0.539 nan 8.240 nan 0.000 0.542 170 S N 1.909 117.615 115.700 0.011 0.000 3.310 170 S HA -0.142 4.327 4.470 -0.000 0.000 0.381 170 S C 0.973 175.582 174.600 0.015 0.000 0.908 170 S CA 0.186 58.394 58.200 0.013 0.000 1.333 170 S CB -2.213 60.997 63.200 0.017 0.000 0.931 170 S HN 2.166 nan 8.310 nan 0.000 0.570 171 G N 0.825 109.631 108.800 0.009 0.000 2.332 171 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.277 171 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.277 171 G C 0.100 175.009 174.900 0.015 0.000 0.884 171 G CA 0.026 45.131 45.100 0.008 0.000 1.251 171 G HN 1.740 nan 8.290 nan 0.000 0.462 172 V N 1.253 121.177 119.914 0.018 0.000 2.364 172 V HA 0.499 4.619 4.120 -0.000 0.000 0.272 172 V C 1.897 178.002 176.094 0.019 0.000 1.036 172 V CA 0.378 62.694 62.300 0.026 0.000 0.880 172 V CB 0.937 32.781 31.823 0.035 0.000 0.991 172 V HN 0.603 nan 8.190 nan 0.000 0.460 173 G N 5.035 113.846 108.800 0.018 0.000 2.545 173 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 173 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 173 G C 0.243 175.149 174.900 0.009 0.000 1.218 173 G CA 1.342 46.447 45.100 0.010 0.000 0.787 173 G HN 0.907 nan 8.290 nan 0.000 0.571 174 D N -3.069 117.341 120.400 0.016 0.000 2.655 174 D HA 0.475 5.115 4.640 -0.000 0.000 0.229 174 D C -1.296 175.026 176.300 0.036 0.000 1.229 174 D CA -0.843 53.166 54.000 0.015 0.000 0.807 174 D CB 1.999 42.801 40.800 0.002 0.000 1.514 174 D HN 0.063 nan 8.370 nan 0.000 0.444 175 V N 1.064 120.993 119.914 0.025 0.000 2.398 175 V HA 0.437 4.557 4.120 -0.000 0.000 0.286 175 V C -0.519 175.573 176.094 -0.003 0.000 1.026 175 V CA -0.501 61.823 62.300 0.040 0.000 0.868 175 V CB 1.407 33.247 31.823 0.029 0.000 0.982 175 V HN 0.592 nan 8.190 nan 0.000 0.443 176 Q N 4.276 124.078 119.800 0.004 0.000 2.274 176 Q HA 0.390 4.730 4.340 -0.000 0.000 0.256 176 Q C -1.030 174.790 176.000 -0.300 0.000 0.927 176 Q CA -0.069 55.616 55.803 -0.197 0.000 0.939 176 Q CB 1.289 29.882 28.738 -0.240 0.000 1.201 176 Q HN 0.611 nan 8.270 nan 0.000 0.426 177 L N 5.632 126.653 121.223 -0.336 0.000 2.264 177 L HA 0.397 4.737 4.340 -0.000 0.000 0.289 177 L C -0.968 175.691 176.870 -0.353 0.000 1.044 177 L CA -0.407 54.300 54.840 -0.222 0.000 0.807 177 L CB 0.282 42.264 42.059 -0.128 0.000 1.192 177 L HN 0.754 nan 8.230 nan 0.000 0.425 178 F N 4.762 124.680 119.950 -0.053 0.000 2.573 178 F HA 0.494 5.021 4.527 -0.000 0.000 0.349 178 F C 1.041 176.817 175.800 -0.041 0.000 1.213 178 F CA 0.296 58.278 58.000 -0.030 0.000 1.300 178 F CB 0.444 39.506 39.000 0.103 0.000 1.661 178 F HN 0.691 nan 8.300 nan 0.000 0.616 179 G N -0.040 108.767 108.800 0.011 0.000 2.295 179 G HA2 0.273 4.233 3.960 -0.000 0.000 0.155 179 G HA3 0.273 4.233 3.960 -0.000 0.000 0.155 179 G C -1.234 173.622 174.900 -0.074 0.000 1.307 179 G CA -0.492 44.597 45.100 -0.019 0.000 1.140 179 G HN 0.373 nan 8.290 nan 0.000 0.470 180 S N -0.913 114.736 115.700 -0.085 0.000 2.537 180 S HA 0.556 5.026 4.470 -0.000 0.000 0.271 180 S C -0.776 173.777 174.600 -0.078 0.000 1.148 180 S CA -0.121 58.024 58.200 -0.091 0.000 0.868 180 S CB 1.709 64.826 63.200 -0.139 0.000 1.115 180 S HN 0.855 nan 8.310 nan 0.000 0.461 181 Q N 2.017 121.795 119.800 -0.035 0.000 2.373 181 Q HA 0.249 4.589 4.340 -0.000 0.000 0.255 181 Q C -0.996 175.063 176.000 0.098 0.000 0.980 181 Q CA -0.218 55.582 55.803 -0.005 0.000 0.882 181 Q CB 0.318 29.070 28.738 0.024 0.000 1.249 181 Q HN 0.658 nan 8.270 nan 0.000 0.438 182 Y N 0.756 121.081 120.300 0.042 0.000 2.578 182 Y HA 0.249 4.799 4.550 -0.000 0.000 0.339 182 Y C 0.264 176.235 175.900 0.119 0.000 1.231 182 Y CA -0.082 58.059 58.100 0.068 0.000 1.461 182 Y CB 0.656 39.171 38.460 0.093 0.000 1.323 182 Y HN 0.651 nan 8.280 nan 0.000 0.590 183 A N 3.438 126.428 122.820 0.283 0.000 2.539 183 A HA 0.574 4.894 4.320 -0.000 0.000 0.296 183 A C -0.931 176.640 177.584 -0.021 0.000 1.073 183 A CA -1.033 51.142 52.037 0.231 0.000 0.700 183 A CB 1.196 20.361 19.000 0.274 0.000 1.296 183 A HN 0.639 nan 8.150 nan 0.000 0.405 184 M N 1.705 121.135 119.600 -0.282 0.000 2.685 184 M HA 0.257 4.737 4.480 -0.000 0.000 0.316 184 M C 0.118 176.071 176.300 -0.577 0.000 1.523 184 M CA 0.266 55.074 55.300 -0.819 0.000 1.472 184 M CB -1.026 30.520 32.600 -1.756 0.000 1.525 184 M HN 0.532 nan 8.290 nan 0.000 0.471 185 R N 3.917 124.132 120.500 -0.474 0.000 2.265 185 R HA 0.602 4.942 4.340 -0.000 0.000 0.314 185 R C -1.251 174.602 176.300 -0.744 0.000 1.053 185 R CA 0.025 55.778 56.100 -0.578 0.000 0.931 185 R CB 0.356 30.348 30.300 -0.513 0.000 1.024 185 R HN 0.680 nan 8.270 nan 0.000 0.457 186 I N 3.797 123.913 120.570 -0.756 0.000 2.418 186 I HA 0.322 4.491 4.170 -0.000 0.000 0.287 186 I C -0.810 174.996 176.117 -0.519 0.000 1.008 186 I CA -0.362 60.617 61.300 -0.535 0.000 1.104 186 I CB 1.485 39.323 38.000 -0.269 0.000 1.264 186 I HN 0.515 nan 8.210 nan 0.000 0.438 187 W N 7.391 128.689 121.300 -0.003 0.000 2.298 187 W HA 0.534 5.194 4.660 -0.000 0.000 0.327 187 W C -0.180 176.352 176.519 0.023 0.000 0.988 187 W CA -0.759 56.594 57.345 0.015 0.000 1.448 187 W CB 0.571 30.034 29.460 0.003 0.000 1.243 187 W HN 0.177 nan 8.180 nan 0.000 0.388 188 M N 3.184 122.933 119.600 0.247 0.000 2.238 188 M HA 0.057 4.537 4.480 -0.000 0.000 0.347 188 M C 0.424 176.762 176.300 0.064 0.000 1.173 188 M CA 0.463 55.865 55.300 0.170 0.000 1.147 188 M CB 0.413 33.155 32.600 0.236 0.000 1.547 188 M HN 0.323 nan 8.290 nan 0.000 0.455 189 N N 3.525 122.171 118.700 -0.090 0.000 2.424 189 N HA 0.295 5.034 4.740 -0.000 0.000 0.271 189 N C -2.244 172.995 175.510 -0.452 0.000 0.985 189 N CA -1.694 51.106 53.050 -0.417 0.000 0.921 189 N CB 1.940 40.263 38.487 -0.273 0.000 1.149 189 N HN 0.257 nan 8.380 nan 0.000 0.492 190 P HA 0.015 nan 4.420 nan 0.000 0.217 190 P C 0.762 177.885 177.300 -0.295 0.000 1.151 190 P CA 0.913 63.582 63.100 -0.717 0.000 0.828 190 P CB 0.532 31.377 31.700 -1.426 0.000 0.788 191 N N -0.231 118.282 118.700 -0.313 0.000 2.188 191 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 191 N C 1.564 177.074 175.510 0.001 0.000 1.018 191 N CA 0.986 53.990 53.050 -0.075 0.000 0.858 191 N CB -0.534 37.924 38.487 -0.049 0.000 0.989 191 N HN 0.228 nan 8.380 nan 0.000 0.426 192 E N 0.757 120.946 120.200 -0.018 0.000 2.285 192 E HA 0.030 4.380 4.350 -0.000 0.000 0.194 192 E C 2.021 178.743 176.600 0.203 0.000 0.997 192 E CA 0.093 56.567 56.400 0.122 0.000 0.845 192 E CB 0.123 29.863 29.700 0.067 0.000 0.782 192 E HN 0.383 nan 8.360 nan 0.000 0.491 193 L N 0.558 121.845 121.223 0.107 0.000 2.131 193 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 193 L C 2.386 179.371 176.870 0.192 0.000 1.087 193 L CA 0.772 55.705 54.840 0.155 0.000 0.767 193 L CB -0.330 41.820 42.059 0.153 0.000 0.917 193 L HN 0.167 nan 8.230 nan 0.000 0.441 194 N N 1.029 119.827 118.700 0.164 0.000 2.135 194 N HA -0.208 4.532 4.740 -0.000 0.000 0.186 194 N C 1.707 177.244 175.510 0.045 0.000 1.027 194 N CA 0.933 54.057 53.050 0.123 0.000 0.849 194 N CB 0.127 38.691 38.487 0.129 0.000 1.002 194 N HN 0.292 nan 8.380 nan 0.000 0.425 195 K N -0.889 119.524 120.400 0.022 0.000 2.574 195 K HA -0.069 4.251 4.320 -0.000 0.000 0.193 195 K C 0.229 176.634 176.600 -0.325 0.000 1.035 195 K CA 1.010 57.216 56.287 -0.135 0.000 0.982 195 K CB -0.060 32.342 32.500 -0.163 0.000 0.795 195 K HN 0.256 nan 8.250 nan 0.000 0.491 196 F N 0.537 120.490 119.950 0.004 0.000 2.817 196 F HA 0.215 4.742 4.527 -0.000 0.000 0.333 196 F C -0.552 175.257 175.800 0.016 0.000 1.085 196 F CA -0.603 57.402 58.000 0.008 0.000 1.170 196 F CB 0.577 39.584 39.000 0.011 0.000 1.066 196 F HN -0.046 nan 8.300 nan 0.000 0.564 197 Q N 1.350 121.247 119.800 0.163 0.000 2.440 197 Q HA -0.118 4.222 4.340 -0.000 0.000 0.325 197 Q C -1.196 174.885 176.000 0.134 0.000 1.454 197 Q CA 0.330 56.203 55.803 0.117 0.000 0.828 197 Q CB -1.581 27.201 28.738 0.072 0.000 1.104 197 Q HN 0.384 nan 8.270 nan 0.000 0.358 198 L N -0.338 120.977 121.223 0.154 0.000 2.403 198 L HA 0.813 5.153 4.340 -0.000 0.000 0.253 198 L C 0.160 177.127 176.870 0.162 0.000 1.045 198 L CA -0.755 54.167 54.840 0.137 0.000 0.845 198 L CB 2.430 44.559 42.059 0.116 0.000 1.447 198 L HN 0.315 nan 8.230 nan 0.000 0.411 199 T N -3.436 111.203 114.554 0.142 0.000 2.906 199 T HA 0.416 4.766 4.350 -0.000 0.000 0.295 199 T C -2.463 172.321 174.700 0.140 0.000 1.075 199 T CA -1.852 60.348 62.100 0.167 0.000 1.005 199 T CB 1.966 70.919 68.868 0.142 0.000 1.136 199 T HN 0.224 nan 8.240 nan 0.000 0.498 200 P HA -0.090 nan 4.420 nan 0.000 0.218 200 P C 1.688 179.031 177.300 0.071 0.000 1.146 200 P CA 0.532 63.695 63.100 0.105 0.000 0.813 200 P CB -0.267 31.480 31.700 0.078 0.000 0.778 201 V N 0.150 120.106 119.914 0.071 0.000 2.343 201 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 201 V C 1.987 178.106 176.094 0.043 0.000 1.051 201 V CA 2.004 64.335 62.300 0.051 0.000 1.036 201 V CB -1.242 30.610 31.823 0.048 0.000 0.654 201 V HN 0.173 nan 8.190 nan 0.000 0.451 202 D N 0.298 120.727 120.400 0.049 0.000 2.183 202 D HA -0.085 4.555 4.640 -0.000 0.000 0.203 202 D C 2.224 178.540 176.300 0.026 0.000 0.969 202 D CA 1.293 55.315 54.000 0.036 0.000 0.842 202 D CB 0.139 40.965 40.800 0.043 0.000 0.957 202 D HN 0.399 nan 8.370 nan 0.000 0.484 203 V N 1.470 121.405 119.914 0.035 0.000 2.307 203 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 203 V C 2.536 178.639 176.094 0.016 0.000 1.045 203 V CA 1.094 63.409 62.300 0.024 0.000 1.024 203 V CB -0.340 31.506 31.823 0.038 0.000 0.651 203 V HN 0.116 nan 8.190 nan 0.000 0.449 204 I N 0.301 120.884 120.570 0.022 0.000 2.226 204 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 204 I C 2.535 178.656 176.117 0.008 0.000 1.100 204 I CA 1.922 63.231 61.300 0.015 0.000 1.374 204 I CB -0.633 37.381 38.000 0.024 0.000 1.057 204 I HN 0.303 nan 8.210 nan 0.000 0.413 205 T N 0.585 115.145 114.554 0.010 0.000 2.833 205 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 205 T C 2.015 176.710 174.700 -0.009 0.000 1.054 205 T CA 1.255 63.357 62.100 0.003 0.000 1.135 205 T CB -0.307 68.566 68.868 0.008 0.000 0.869 205 T HN 0.471 nan 8.240 nan 0.000 0.466 206 A N 1.200 124.013 122.820 -0.012 0.000 1.898 206 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 206 A C 2.220 179.776 177.584 -0.047 0.000 1.181 206 A CA 1.073 53.093 52.037 -0.029 0.000 0.620 206 A CB -0.624 18.358 19.000 -0.029 0.000 0.819 206 A HN 0.531 nan 8.150 nan 0.000 0.442 207 I N -0.749 119.802 120.570 -0.033 0.000 2.353 207 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 207 I C 1.770 177.864 176.117 -0.039 0.000 1.119 207 I CA 0.943 62.219 61.300 -0.040 0.000 1.417 207 I CB -0.126 37.891 38.000 0.028 0.000 1.078 207 I HN 0.097 nan 8.210 nan 0.000 0.421 208 K N 1.011 121.398 120.400 -0.022 0.000 2.611 208 K HA 0.124 4.444 4.320 -0.000 0.000 0.193 208 K C 1.198 177.785 176.600 -0.022 0.000 1.026 208 K CA 0.694 56.971 56.287 -0.016 0.000 1.063 208 K CB 0.273 32.770 32.500 -0.004 0.000 0.839 208 K HN 0.382 nan 8.250 nan 0.000 0.505 209 A N -0.463 122.336 122.820 -0.036 0.000 1.878 209 A HA 0.067 4.387 4.320 -0.000 0.000 0.201 209 A C 1.726 179.276 177.584 -0.056 0.000 1.684 209 A CA -0.137 51.877 52.037 -0.038 0.000 1.113 209 A CB 0.247 19.228 19.000 -0.031 0.000 1.131 209 A HN 0.114 nan 8.150 nan 0.000 0.472 210 Q N -0.467 119.283 119.800 -0.083 0.000 2.250 210 Q HA 0.028 4.368 4.340 -0.000 0.000 0.200 210 Q C 0.125 176.034 176.000 -0.153 0.000 0.941 210 Q CA 0.692 56.426 55.803 -0.115 0.000 0.872 210 Q CB 0.168 28.822 28.738 -0.139 0.000 0.965 210 Q HN 0.530 nan 8.270 nan 0.000 0.480 211 N N 0.582 119.182 118.700 -0.166 0.000 2.801 211 N HA 0.398 5.138 4.740 -0.000 0.000 0.235 211 N C -1.726 173.748 175.510 -0.059 0.000 1.069 211 N CA -0.129 52.819 53.050 -0.169 0.000 0.946 211 N CB 0.828 39.153 38.487 -0.270 0.000 1.212 211 N HN 0.147 nan 8.380 nan 0.000 0.509 212 A N 1.753 124.547 122.820 -0.044 0.000 2.608 212 A HA 0.454 4.774 4.320 -0.000 0.000 0.292 212 A C -1.459 176.118 177.584 -0.012 0.000 1.066 212 A CA -0.796 51.232 52.037 -0.016 0.000 0.676 212 A CB 1.314 20.304 19.000 -0.017 0.000 1.277 212 A HN 0.404 nan 8.150 nan 0.000 0.413 213 Q N 0.876 120.674 119.800 -0.002 0.000 2.314 213 Q HA 0.519 4.859 4.340 -0.000 0.000 0.259 213 Q C -1.041 174.956 176.000 -0.005 0.000 0.951 213 Q CA -0.449 55.352 55.803 -0.003 0.000 0.909 213 Q CB 2.061 30.801 28.738 0.002 0.000 1.236 213 Q HN 0.512 nan 8.270 nan 0.000 0.444 214 V N 1.722 121.631 119.914 -0.008 0.000 2.398 214 V HA 0.380 4.500 4.120 -0.000 0.000 0.286 214 V C 0.007 176.097 176.094 -0.006 0.000 1.026 214 V CA -0.795 61.501 62.300 -0.008 0.000 0.868 214 V CB 1.573 33.390 31.823 -0.011 0.000 0.982 214 V HN 0.827 nan 8.190 nan 0.000 0.443 215 A N 4.485 127.302 122.820 -0.005 0.000 2.666 215 A HA 0.682 5.002 4.320 -0.000 0.000 0.301 215 A C 0.596 178.177 177.584 -0.005 0.000 1.470 215 A CA 0.134 52.169 52.037 -0.005 0.000 1.159 215 A CB -0.396 18.602 19.000 -0.004 0.000 1.116 215 A HN 1.179 nan 8.150 nan 0.000 0.548 216 A N 2.452 125.269 122.820 -0.006 0.000 2.303 216 A HA 0.736 5.056 4.320 -0.000 0.000 0.317 216 A C 1.050 178.631 177.584 -0.005 0.000 1.149 216 A CA 0.056 52.090 52.037 -0.006 0.000 0.822 216 A CB 0.475 19.471 19.000 -0.006 0.000 1.131 216 A HN 1.144 nan 8.150 nan 0.000 0.493 217 G N 0.097 108.894 108.800 -0.005 0.000 2.711 217 G HA2 0.467 4.427 3.960 -0.000 0.000 0.186 217 G HA3 0.467 4.427 3.960 -0.000 0.000 0.186 217 G C -0.044 174.853 174.900 -0.004 0.000 1.635 217 G CA 0.486 45.584 45.100 -0.004 0.000 1.065 217 G HN 1.131 nan 8.290 nan 0.000 0.545 218 Q N -1.336 118.462 119.800 -0.004 0.000 2.426 218 Q HA 0.494 4.834 4.340 -0.000 0.000 0.278 218 Q C -1.418 174.580 176.000 -0.003 0.000 1.007 218 Q CA -0.900 54.901 55.803 -0.003 0.000 0.850 218 Q CB 1.449 30.186 28.738 -0.003 0.000 1.427 218 Q HN 0.381 nan 8.270 nan 0.000 0.391 219 L N 1.287 122.508 121.223 -0.003 0.000 2.410 219 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 219 L C 0.967 177.835 176.870 -0.003 0.000 1.152 219 L CA 0.500 55.338 54.840 -0.003 0.000 0.855 219 L CB 0.215 42.273 42.059 -0.003 0.000 1.129 219 L HN 1.052 nan 8.230 nan 0.000 0.463 220 G N 2.278 111.077 108.800 -0.002 0.000 2.368 220 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.290 220 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.290 220 G C 0.433 175.332 174.900 -0.002 0.000 1.098 220 G CA -0.148 44.951 45.100 -0.002 0.000 1.073 220 G HN 1.106 nan 8.290 nan 0.000 0.511 221 G N -0.355 108.443 108.800 -0.003 0.000 2.631 221 G HA2 0.473 4.433 3.960 -0.000 0.000 0.271 221 G HA3 0.473 4.433 3.960 -0.000 0.000 0.271 221 G C 1.358 176.257 174.900 -0.003 0.000 1.302 221 G CA 0.806 45.904 45.100 -0.003 0.000 1.002 221 G HN 0.690 nan 8.290 nan 0.000 0.519 222 T N 1.390 115.943 114.554 -0.003 0.000 2.592 222 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 222 T C -1.178 173.521 174.700 -0.002 0.000 1.060 222 T CA 1.769 63.867 62.100 -0.003 0.000 1.167 222 T CB -0.916 67.951 68.868 -0.003 0.000 0.863 222 T HN 0.472 nan 8.240 nan 0.000 0.431 223 P HA 0.437 nan 4.420 nan 0.000 0.266 223 P C -2.551 174.748 177.300 -0.002 0.000 1.567 223 P CA -1.588 61.510 63.100 -0.002 0.000 1.077 223 P CB 1.013 32.711 31.700 -0.002 0.000 1.396 224 P HA 0.297 nan 4.420 nan 0.000 0.287 224 P C -0.735 176.564 177.300 -0.002 0.000 1.296 224 P CA -0.757 62.342 63.100 -0.002 0.000 0.811 224 P CB 0.791 32.490 31.700 -0.002 0.000 1.211 225 V N -1.947 117.966 119.914 -0.002 0.000 2.406 225 V HA 0.343 4.463 4.120 -0.000 0.000 0.272 225 V C -0.011 176.082 176.094 -0.002 0.000 1.043 225 V CA -1.156 61.143 62.300 -0.002 0.000 0.915 225 V CB -0.200 31.622 31.823 -0.002 0.000 0.988 225 V HN 0.374 nan 8.190 nan 0.000 0.466 226 K N 4.315 124.714 120.400 -0.001 0.000 2.320 226 K HA 0.480 4.800 4.320 -0.000 0.000 0.273 226 K C 1.003 177.602 176.600 -0.001 0.000 1.146 226 K CA 0.798 57.084 56.287 -0.001 0.000 1.144 226 K CB -0.464 32.035 32.500 -0.001 0.000 0.878 226 K HN 1.297 nan 8.250 nan 0.000 0.458 227 G N 1.341 110.140 108.800 -0.001 0.000 2.870 227 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 227 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 227 G C -0.365 174.534 174.900 -0.001 0.000 0.973 227 G CA -0.671 44.429 45.100 -0.001 0.000 0.807 227 G HN 0.510 nan 8.290 nan 0.000 0.573 228 Q N 0.291 120.090 119.800 -0.001 0.000 2.373 228 Q HA 0.649 4.989 4.340 -0.000 0.000 0.255 228 Q C 1.148 177.147 176.000 -0.001 0.000 0.980 228 Q CA 0.481 56.283 55.803 -0.001 0.000 0.882 228 Q CB 1.232 29.969 28.738 -0.002 0.000 1.249 228 Q HN 0.200 nan 8.270 nan 0.000 0.438 229 Q N 1.657 121.456 119.800 -0.001 0.000 2.280 229 Q HA 0.355 4.695 4.340 -0.000 0.000 0.228 229 Q C -0.837 175.163 176.000 -0.001 0.000 0.857 229 Q CA 0.078 55.880 55.803 -0.001 0.000 0.939 229 Q CB 0.644 29.381 28.738 -0.001 0.000 1.114 229 Q HN 0.652 nan 8.270 nan 0.000 0.514 230 L N -0.838 120.384 121.223 -0.001 0.000 2.362 230 L HA 0.634 4.974 4.340 -0.000 0.000 0.271 230 L C -1.217 175.652 176.870 -0.002 0.000 1.002 230 L CA -0.505 54.334 54.840 -0.002 0.000 0.818 230 L CB 1.983 44.041 42.059 -0.002 0.000 1.298 230 L HN -0.067 nan 8.230 nan 0.000 0.420 231 N N 3.865 122.564 118.700 -0.002 0.000 2.581 231 N HA 0.650 5.390 4.740 -0.000 0.000 0.279 231 N C -1.795 173.714 175.510 -0.002 0.000 1.124 231 N CA -0.227 52.822 53.050 -0.002 0.000 0.833 231 N CB 1.746 40.232 38.487 -0.002 0.000 1.338 231 N HN 0.933 nan 8.380 nan 0.000 0.533 232 A N 1.885 124.703 122.820 -0.002 0.000 2.393 232 A HA 0.572 4.892 4.320 -0.000 0.000 0.306 232 A C -0.188 177.394 177.584 -0.003 0.000 1.050 232 A CA -0.625 51.411 52.037 -0.002 0.000 0.724 232 A CB 1.225 20.224 19.000 -0.002 0.000 1.248 232 A HN 0.560 nan 8.150 nan 0.000 0.424 233 S N 1.571 117.269 115.700 -0.003 0.000 2.580 233 S HA 0.637 5.107 4.470 -0.000 0.000 0.274 233 S C -0.069 174.529 174.600 -0.004 0.000 1.329 233 S CA -0.328 57.870 58.200 -0.003 0.000 1.036 233 S CB 0.335 63.533 63.200 -0.003 0.000 0.919 233 S HN 0.499 nan 8.310 nan 0.000 0.515 234 I N 2.413 122.980 120.570 -0.004 0.000 2.396 234 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 234 I C -0.264 175.850 176.117 -0.005 0.000 0.999 234 I CA -0.754 60.543 61.300 -0.005 0.000 1.310 234 I CB 0.825 38.822 38.000 -0.005 0.000 1.404 234 I HN 0.482 nan 8.210 nan 0.000 0.496 235 I N 5.271 125.837 120.570 -0.005 0.000 2.354 235 I HA 0.483 4.653 4.170 -0.000 0.000 0.292 235 I C 0.606 176.718 176.117 -0.008 0.000 0.989 235 I CA -0.063 61.234 61.300 -0.006 0.000 1.188 235 I CB 0.928 38.925 38.000 -0.005 0.000 1.342 235 I HN 0.705 nan 8.210 nan 0.000 0.457 236 A N 6.628 129.443 122.820 -0.009 0.000 3.658 236 A HA 0.432 4.752 4.320 -0.000 0.000 0.188 236 A C 0.315 177.891 177.584 -0.014 0.000 1.601 236 A CA -0.217 51.813 52.037 -0.011 0.000 1.765 236 A CB 0.139 19.133 19.000 -0.011 0.000 1.546 236 A HN 0.663 nan 8.150 nan 0.000 0.555 237 Q N 0.028 119.818 119.800 -0.016 0.000 2.340 237 Q HA 0.470 4.810 4.340 -0.000 0.000 0.249 237 Q C -1.083 174.906 176.000 -0.017 0.000 0.957 237 Q CA 0.294 56.084 55.803 -0.022 0.000 0.882 237 Q CB 0.900 29.622 28.738 -0.027 0.000 1.235 237 Q HN 0.588 nan 8.270 nan 0.000 0.439 238 T N 2.119 116.661 114.554 -0.020 0.000 2.893 238 T HA 0.340 4.690 4.350 -0.000 0.000 0.293 238 T C -0.574 174.121 174.700 -0.009 0.000 1.027 238 T CA -0.820 61.274 62.100 -0.010 0.000 0.988 238 T CB 1.169 70.034 68.868 -0.005 0.000 1.043 238 T HN 0.437 nan 8.240 nan 0.000 0.461 239 R N 1.941 122.448 120.500 0.012 0.000 2.538 239 R HA 0.178 4.518 4.340 -0.000 0.000 0.282 239 R C 0.340 176.684 176.300 0.073 0.000 1.009 239 R CA -0.130 55.996 56.100 0.045 0.000 1.063 239 R CB 0.163 30.509 30.300 0.077 0.000 0.945 239 R HN 0.459 nan 8.270 nan 0.000 0.414 240 L N 2.387 123.650 121.223 0.068 0.000 2.467 240 L HA 0.019 4.359 4.340 -0.000 0.000 0.270 240 L C 1.212 178.275 176.870 0.322 0.000 1.205 240 L CA 0.366 55.250 54.840 0.072 0.000 0.828 240 L CB 0.898 42.810 42.059 -0.246 0.000 1.101 240 L HN 0.812 nan 8.230 nan 0.000 0.479 241 T N -0.754 113.951 114.554 0.253 0.000 3.044 241 T HA 0.054 4.404 4.350 -0.000 0.000 0.237 241 T C 0.800 175.701 174.700 0.335 0.000 1.001 241 T CA 0.127 62.393 62.100 0.276 0.000 1.160 241 T CB 0.333 69.285 68.868 0.139 0.000 0.889 241 T HN 0.685 nan 8.240 nan 0.000 0.442 242 S N 0.717 116.559 115.700 0.237 0.000 2.739 242 S HA 0.437 4.907 4.470 -0.000 0.000 0.306 242 S C 1.194 175.892 174.600 0.163 0.000 1.115 242 S CA -0.481 57.823 58.200 0.174 0.000 0.985 242 S CB 1.303 64.565 63.200 0.104 0.000 1.133 242 S HN 0.224 nan 8.310 nan 0.000 0.541 243 T N -0.324 114.266 114.554 0.060 0.000 2.867 243 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 243 T C 1.555 176.291 174.700 0.061 0.000 1.057 243 T CA 1.906 64.013 62.100 0.010 0.000 1.136 243 T CB -0.578 68.255 68.868 -0.058 0.000 0.874 243 T HN 0.757 nan 8.240 nan 0.000 0.466 244 E N 0.521 120.752 120.200 0.052 0.000 2.077 244 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 244 E C 2.053 178.675 176.600 0.038 0.000 0.989 244 E CA 1.591 58.013 56.400 0.037 0.000 0.800 244 E CB -0.188 29.528 29.700 0.027 0.000 0.746 244 E HN 0.706 nan 8.360 nan 0.000 0.452 245 E N -0.432 119.799 120.200 0.052 0.000 2.110 245 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 245 E C 1.924 178.487 176.600 -0.061 0.000 0.988 245 E CA 0.921 57.318 56.400 -0.004 0.000 0.804 245 E CB -0.260 29.438 29.700 -0.003 0.000 0.745 245 E HN 0.355 nan 8.360 nan 0.000 0.458 246 F N 0.992 120.889 119.950 -0.087 0.000 2.325 246 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 246 F C 2.428 178.167 175.800 -0.101 0.000 1.090 246 F CA 1.094 59.023 58.000 -0.119 0.000 1.392 246 F CB -0.167 38.719 39.000 -0.189 0.000 1.053 246 F HN 0.045 nan 8.300 nan 0.000 0.521 247 G N -0.561 108.287 108.800 0.080 0.000 2.448 247 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 247 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 247 G C 1.213 176.103 174.900 -0.017 0.000 1.135 247 G CA 0.190 45.303 45.100 0.021 0.000 0.784 247 G HN 0.221 nan 8.290 nan 0.000 0.543 248 K N 0.368 120.749 120.400 -0.032 0.000 2.827 248 K HA 0.365 4.685 4.320 -0.000 0.000 0.222 248 K C -0.391 176.163 176.600 -0.076 0.000 1.114 248 K CA -0.266 55.991 56.287 -0.050 0.000 1.206 248 K CB 0.443 32.917 32.500 -0.042 0.000 1.035 248 K HN 0.224 nan 8.250 nan 0.000 0.464 249 I N 1.912 122.431 120.570 -0.085 0.000 2.325 249 I HA 0.067 4.237 4.170 -0.000 0.000 0.291 249 I C -0.337 175.733 176.117 -0.079 0.000 1.019 249 I CA -1.040 60.199 61.300 -0.102 0.000 1.302 249 I CB 0.797 38.724 38.000 -0.123 0.000 1.401 249 I HN 0.028 nan 8.210 nan 0.000 0.485 250 L N 7.730 128.909 121.223 -0.072 0.000 2.369 250 L HA 0.146 4.486 4.340 -0.000 0.000 0.279 250 L C 0.397 177.235 176.870 -0.054 0.000 1.108 250 L CA 0.741 55.545 54.840 -0.060 0.000 0.852 250 L CB 0.575 42.605 42.059 -0.048 0.000 1.169 250 L HN 0.619 nan 8.230 nan 0.000 0.452 251 L N 3.650 124.837 121.223 -0.060 0.000 2.200 251 L HA 0.254 4.594 4.340 -0.000 0.000 0.200 251 L C 0.671 177.525 176.870 -0.027 0.000 1.072 251 L CA 0.499 55.311 54.840 -0.046 0.000 0.787 251 L CB 0.040 42.061 42.059 -0.063 0.000 0.957 251 L HN 0.597 nan 8.230 nan 0.000 0.459 252 K N -1.164 119.218 120.400 -0.030 0.000 2.555 252 K HA 0.490 4.810 4.320 -0.000 0.000 0.279 252 K C -1.691 174.914 176.600 0.008 0.000 0.986 252 K CA -0.625 55.663 56.287 0.002 0.000 0.880 252 K CB 2.394 34.914 32.500 0.033 0.000 1.474 252 K HN -0.257 nan 8.250 nan 0.000 0.433 253 V N 0.853 120.782 119.914 0.025 0.000 2.385 253 V HA 0.478 4.598 4.120 -0.000 0.000 0.277 253 V C -0.759 175.363 176.094 0.047 0.000 1.012 253 V CA -1.141 61.178 62.300 0.032 0.000 0.832 253 V CB 0.830 32.662 31.823 0.016 0.000 1.028 253 V HN 0.606 nan 8.190 nan 0.000 0.436 254 N N 3.513 122.258 118.700 0.075 0.000 2.492 254 N HA 0.157 4.897 4.740 -0.000 0.000 0.262 254 N C 1.356 176.893 175.510 0.045 0.000 1.202 254 N CA 0.211 53.305 53.050 0.073 0.000 0.926 254 N CB 1.303 39.855 38.487 0.108 0.000 1.078 254 N HN 0.867 nan 8.380 nan 0.000 0.454 255 Q N 1.484 121.302 119.800 0.031 0.000 2.266 255 Q HA -0.342 3.998 4.340 -0.000 0.000 0.222 255 Q C 0.567 176.578 176.000 0.018 0.000 1.078 255 Q CA 2.426 58.240 55.803 0.019 0.000 0.964 255 Q CB -0.833 27.912 28.738 0.012 0.000 1.094 255 Q HN 0.814 nan 8.270 nan 0.000 0.465 256 D N -0.174 120.237 120.400 0.019 0.000 2.348 256 D HA 0.073 4.712 4.640 -0.000 0.000 0.248 256 D C 1.008 177.320 176.300 0.020 0.000 1.142 256 D CA 0.743 54.753 54.000 0.016 0.000 0.904 256 D CB -0.501 40.307 40.800 0.014 0.000 0.901 256 D HN 0.660 nan 8.370 nan 0.000 0.523 257 G N 1.035 109.849 108.800 0.023 0.000 2.153 257 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 257 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 257 G C 0.298 175.215 174.900 0.029 0.000 0.994 257 G CA 0.460 45.573 45.100 0.022 0.000 0.698 257 G HN 0.774 nan 8.290 nan 0.000 0.521 258 S N -0.420 115.306 115.700 0.045 0.000 2.481 258 S HA 0.609 5.079 4.470 -0.000 0.000 0.276 258 S C 0.410 175.046 174.600 0.060 0.000 1.247 258 S CA -0.476 57.761 58.200 0.062 0.000 1.053 258 S CB 1.461 64.718 63.200 0.094 0.000 0.925 258 S HN 0.498 nan 8.310 nan 0.000 0.491 259 R N 2.316 122.837 120.500 0.035 0.000 2.298 259 R HA 0.402 4.742 4.340 -0.000 0.000 0.310 259 R C -0.960 175.325 176.300 -0.026 0.000 1.068 259 R CA -0.314 55.788 56.100 0.004 0.000 0.957 259 R CB 0.760 31.055 30.300 -0.009 0.000 1.003 259 R HN 0.630 nan 8.270 nan 0.000 0.454 260 V N 6.648 126.520 119.914 -0.069 0.000 2.328 260 V HA 0.303 4.423 4.120 -0.000 0.000 0.278 260 V C 0.054 176.041 176.094 -0.178 0.000 1.021 260 V CA -0.613 61.561 62.300 -0.210 0.000 0.838 260 V CB 0.835 32.495 31.823 -0.271 0.000 0.999 260 V HN 0.580 nan 8.190 nan 0.000 0.447 261 L N 3.818 124.930 121.223 -0.184 0.000 2.331 261 L HA 0.485 4.825 4.340 -0.000 0.000 0.268 261 L C 1.138 177.928 176.870 -0.133 0.000 1.015 261 L CA -0.781 53.983 54.840 -0.126 0.000 0.807 261 L CB 0.900 42.907 42.059 -0.086 0.000 1.293 261 L HN 0.410 nan 8.230 nan 0.000 0.451 262 L N 1.149 122.321 121.223 -0.085 0.000 2.201 262 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 262 L C 2.587 179.428 176.870 -0.049 0.000 1.105 262 L CA 1.562 56.367 54.840 -0.059 0.000 0.775 262 L CB -0.938 41.108 42.059 -0.022 0.000 0.913 262 L HN 0.711 nan 8.230 nan 0.000 0.440 263 R N -0.386 120.087 120.500 -0.045 0.000 2.120 263 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 263 R C 1.477 177.754 176.300 -0.038 0.000 1.123 263 R CA 1.772 57.855 56.100 -0.028 0.000 0.975 263 R CB -0.504 29.784 30.300 -0.019 0.000 0.866 263 R HN 0.427 nan 8.270 nan 0.000 0.446 264 D N 0.745 121.096 120.400 -0.082 0.000 2.117 264 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 264 D C 1.877 178.121 176.300 -0.094 0.000 0.982 264 D CA 1.722 55.661 54.000 -0.102 0.000 0.828 264 D CB -0.077 40.595 40.800 -0.213 0.000 0.967 264 D HN 0.356 nan 8.370 nan 0.000 0.464 265 V N -2.172 117.665 119.914 -0.128 0.000 3.506 265 V HA 0.529 4.649 4.120 -0.000 0.000 0.263 265 V C 0.579 176.659 176.094 -0.024 0.000 1.203 265 V CA 0.455 62.707 62.300 -0.080 0.000 1.133 265 V CB -0.191 31.570 31.823 -0.105 0.000 0.802 265 V HN 0.124 nan 8.190 nan 0.000 0.459 266 A N 0.239 123.053 122.820 -0.010 0.000 2.520 266 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 266 A C -0.630 176.981 177.584 0.046 0.000 1.051 266 A CA -0.803 51.253 52.037 0.031 0.000 0.690 266 A CB 1.493 20.508 19.000 0.025 0.000 1.281 266 A HN 0.323 nan 8.150 nan 0.000 0.402 267 K N 2.163 122.629 120.400 0.110 0.000 2.297 267 K HA 0.586 4.906 4.320 -0.000 0.000 0.286 267 K C -1.202 175.450 176.600 0.086 0.000 1.053 267 K CA -0.055 56.312 56.287 0.133 0.000 0.940 267 K CB 0.234 32.868 32.500 0.223 0.000 1.019 267 K HN 0.567 nan 8.250 nan 0.000 0.475 268 I N 5.032 125.613 120.570 0.019 0.000 2.389 268 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 268 I C -0.625 175.453 176.117 -0.064 0.000 0.999 268 I CA -0.555 60.696 61.300 -0.082 0.000 1.129 268 I CB 1.652 39.599 38.000 -0.087 0.000 1.288 268 I HN 0.729 nan 8.210 nan 0.000 0.444 269 E N 5.837 125.968 120.200 -0.114 0.000 2.383 269 E HA 0.424 4.774 4.350 -0.000 0.000 0.275 269 E C -1.322 175.168 176.600 -0.184 0.000 0.918 269 E CA -1.095 55.259 56.400 -0.076 0.000 0.764 269 E CB 2.431 32.174 29.700 0.073 0.000 1.252 269 E HN 0.313 nan 8.360 nan 0.000 0.449 270 L N 2.615 123.698 121.223 -0.233 0.000 2.404 270 L HA 0.430 4.770 4.340 -0.000 0.000 0.277 270 L C -0.034 176.514 176.870 -0.537 0.000 1.184 270 L CA 0.518 55.111 54.840 -0.412 0.000 1.013 270 L CB -0.094 41.685 42.059 -0.467 0.000 1.318 270 L HN 0.732 nan 8.230 nan 0.000 0.435 271 G N 2.092 110.770 108.800 -0.205 0.000 2.820 271 G HA2 0.596 4.556 3.960 -0.000 0.000 0.291 271 G HA3 0.596 4.556 3.960 -0.000 0.000 0.291 271 G C -0.210 174.827 174.900 0.227 0.000 1.323 271 G CA -0.454 44.721 45.100 0.125 0.000 1.055 271 G HN 0.681 nan 8.290 nan 0.000 0.520 272 G N -1.500 107.402 108.800 0.169 0.000 2.527 272 G HA2 0.356 4.316 3.960 -0.000 0.000 0.248 272 G HA3 0.356 4.316 3.960 -0.000 0.000 0.248 272 G C 0.708 175.435 174.900 -0.288 0.000 1.231 272 G CA 0.417 45.432 45.100 -0.141 0.000 0.838 272 G HN 0.714 nan 8.290 nan 0.000 0.570 273 E N 0.130 120.248 120.200 -0.137 0.000 2.208 273 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 273 E C 0.515 176.955 176.600 -0.266 0.000 0.988 273 E CA 0.382 56.726 56.400 -0.092 0.000 0.828 273 E CB 0.123 29.891 29.700 0.114 0.000 0.763 273 E HN 0.436 nan 8.360 nan 0.000 0.478 274 N N -0.932 117.575 118.700 -0.321 0.000 2.371 274 N HA 0.057 4.797 4.740 -0.000 0.000 0.291 274 N C -1.329 173.989 175.510 -0.319 0.000 1.053 274 N CA -0.455 52.451 53.050 -0.239 0.000 0.870 274 N CB 1.210 39.624 38.487 -0.122 0.000 1.503 274 N HN 0.021 nan 8.380 nan 0.000 0.485 275 Y N 1.025 121.340 120.300 0.026 0.000 2.531 275 Y HA 0.252 4.802 4.550 -0.000 0.000 0.249 275 Y C 1.349 177.258 175.900 0.015 0.000 1.168 275 Y CA -0.445 57.675 58.100 0.033 0.000 1.226 275 Y CB 0.591 39.081 38.460 0.049 0.000 1.177 275 Y HN 0.493 nan 8.280 nan 0.000 0.527 276 D N 1.258 121.725 120.400 0.111 0.000 2.178 276 D HA -0.023 4.617 4.640 -0.000 0.000 0.202 276 D C 0.500 176.835 176.300 0.058 0.000 0.974 276 D CA 1.207 55.252 54.000 0.076 0.000 0.841 276 D CB 0.257 41.088 40.800 0.051 0.000 0.953 276 D HN 0.402 nan 8.370 nan 0.000 0.478 277 I N -0.769 119.823 120.570 0.037 0.000 2.436 277 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 277 I C -0.672 175.464 176.117 0.033 0.000 1.010 277 I CA -1.231 60.090 61.300 0.034 0.000 1.098 277 I CB 1.904 39.904 38.000 0.000 0.000 1.266 277 I HN -0.263 nan 8.210 nan 0.000 0.434 278 I N 2.955 123.543 120.570 0.030 0.000 2.533 278 I HA 0.961 5.130 4.170 -0.000 0.000 0.290 278 I C -0.346 175.747 176.117 -0.040 0.000 1.056 278 I CA -0.878 60.427 61.300 0.009 0.000 1.057 278 I CB 2.023 40.030 38.000 0.011 0.000 1.240 278 I HN 0.712 nan 8.210 nan 0.000 0.423 279 A N 4.063 126.836 122.820 -0.079 0.000 2.324 279 A HA 0.818 5.138 4.320 -0.000 0.000 0.330 279 A C -0.632 176.780 177.584 -0.286 0.000 1.165 279 A CA -0.506 51.377 52.037 -0.256 0.000 0.813 279 A CB 1.099 19.896 19.000 -0.338 0.000 1.197 279 A HN 0.814 nan 8.150 nan 0.000 0.484 280 E N 0.948 120.913 120.200 -0.392 0.000 2.279 280 E HA 0.282 4.632 4.350 -0.000 0.000 0.252 280 E C -1.708 174.729 176.600 -0.272 0.000 0.894 280 E CA -0.236 56.014 56.400 -0.251 0.000 0.785 280 E CB 1.579 31.175 29.700 -0.174 0.000 1.237 280 E HN 0.535 nan 8.360 nan 0.000 0.418 281 F N 3.972 123.754 119.950 -0.282 0.000 2.434 281 F HA 0.196 4.723 4.527 -0.000 0.000 0.358 281 F C 0.184 175.966 175.800 -0.031 0.000 1.136 281 F CA -0.408 57.524 58.000 -0.113 0.000 1.157 281 F CB -0.106 38.914 39.000 0.034 0.000 1.167 281 F HN 0.518 nan 8.300 nan 0.000 0.539 282 N N 3.944 122.338 118.700 -0.510 0.000 2.721 282 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 282 N C 0.702 176.130 175.510 -0.136 0.000 1.072 282 N CA 1.195 54.019 53.050 -0.377 0.000 0.710 282 N CB -1.346 36.803 38.487 -0.564 0.000 0.993 282 N HN 1.208 nan 8.380 nan 0.000 0.547 283 G N -1.082 107.664 108.800 -0.089 0.000 2.136 283 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.242 283 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.242 283 G C -0.221 174.676 174.900 -0.006 0.000 0.989 283 G CA 0.500 45.592 45.100 -0.015 0.000 0.682 283 G HN 0.798 nan 8.290 nan 0.000 0.522 284 Q N 0.160 119.959 119.800 -0.003 0.000 2.340 284 Q HA 0.648 4.988 4.340 -0.000 0.000 0.268 284 Q C -2.822 173.196 176.000 0.030 0.000 1.031 284 Q CA -2.451 53.374 55.803 0.036 0.000 0.804 284 Q CB 2.398 31.189 28.738 0.089 0.000 1.286 284 Q HN 0.084 nan 8.270 nan 0.000 0.448 285 P HA 0.097 nan 4.420 nan 0.000 0.260 285 P C -1.424 175.877 177.300 0.003 0.000 1.185 285 P CA 0.515 63.612 63.100 -0.004 0.000 0.763 285 P CB 0.686 32.388 31.700 0.004 0.000 0.776 286 A N 2.407 125.214 122.820 -0.022 0.000 2.602 286 A HA 0.785 5.105 4.320 -0.000 0.000 0.290 286 A C -0.791 176.786 177.584 -0.010 0.000 1.114 286 A CA -0.364 51.667 52.037 -0.011 0.000 0.683 286 A CB 1.573 20.593 19.000 0.034 0.000 1.281 286 A HN 0.388 nan 8.150 nan 0.000 0.416 287 S N -1.932 113.789 115.700 0.035 0.000 2.794 287 S HA 0.949 5.419 4.470 -0.000 0.000 0.299 287 S C -0.124 174.566 174.600 0.150 0.000 1.179 287 S CA 0.353 58.617 58.200 0.107 0.000 0.838 287 S CB 1.670 64.906 63.200 0.059 0.000 1.206 287 S HN 2.555 nan 8.310 nan 0.000 0.523 288 G N -0.047 108.876 108.800 0.205 0.000 2.341 288 G HA2 0.450 4.410 3.960 -0.000 0.000 0.299 288 G HA3 0.450 4.410 3.960 -0.000 0.000 0.299 288 G C -2.452 172.593 174.900 0.243 0.000 1.274 288 G CA -0.695 44.472 45.100 0.113 0.000 0.853 288 G HN 0.780 nan 8.290 nan 0.000 0.493 289 L N 0.715 122.021 121.223 0.137 0.000 2.376 289 L HA 0.641 4.981 4.340 -0.000 0.000 0.275 289 L C 0.404 177.390 176.870 0.195 0.000 0.987 289 L CA -0.727 54.224 54.840 0.184 0.000 0.828 289 L CB 2.384 44.493 42.059 0.083 0.000 1.249 289 L HN 0.794 nan 8.230 nan 0.000 0.409 290 G N 4.216 113.225 108.800 0.347 0.000 2.741 290 G HA2 0.531 4.491 3.960 -0.000 0.000 0.336 290 G HA3 0.531 4.491 3.960 -0.000 0.000 0.336 290 G C -0.322 174.773 174.900 0.324 0.000 1.022 290 G CA -0.350 44.897 45.100 0.244 0.000 1.193 290 G HN 0.426 nan 8.290 nan 0.000 0.455 291 I N 1.694 122.415 120.570 0.252 0.000 2.517 291 I HA 0.108 4.278 4.170 -0.000 0.000 0.285 291 I C 0.777 177.057 176.117 0.273 0.000 1.106 291 I CA 0.332 61.763 61.300 0.219 0.000 1.402 291 I CB 0.889 38.975 38.000 0.143 0.000 1.399 291 I HN 0.246 nan 8.210 nan 0.000 0.535 292 K N 6.776 127.289 120.400 0.189 0.000 2.159 292 K HA 0.433 4.753 4.320 -0.000 0.000 0.266 292 K C -0.498 176.131 176.600 0.047 0.000 0.975 292 K CA -0.740 55.587 56.287 0.065 0.000 0.865 292 K CB 0.950 33.437 32.500 -0.023 0.000 1.087 292 K HN 0.494 nan 8.250 nan 0.000 0.446 293 L N 2.612 123.855 121.223 0.034 0.000 2.473 293 L HA 0.236 4.576 4.340 -0.000 0.000 0.268 293 L C 0.036 176.920 176.870 0.023 0.000 1.215 293 L CA 0.021 54.885 54.840 0.039 0.000 0.823 293 L CB 1.107 43.196 42.059 0.050 0.000 1.099 293 L HN 0.870 nan 8.230 nan 0.000 0.483 294 A N 1.350 124.183 122.820 0.022 0.000 2.312 294 A HA 0.429 4.749 4.320 -0.000 0.000 0.326 294 A C 0.067 177.657 177.584 0.010 0.000 1.172 294 A CA -0.472 51.572 52.037 0.011 0.000 0.821 294 A CB 0.485 19.488 19.000 0.006 0.000 1.166 294 A HN 0.726 nan 8.150 nan 0.000 0.493 295 T N 1.887 116.442 114.554 0.002 0.000 2.761 295 T HA 0.401 4.751 4.350 -0.000 0.000 0.262 295 T C 1.248 175.943 174.700 -0.009 0.000 0.968 295 T CA 1.403 63.503 62.100 -0.000 0.000 1.235 295 T CB -0.450 68.413 68.868 -0.008 0.000 0.925 295 T HN 1.954 nan 8.240 nan 0.000 0.545 296 G N 1.692 110.493 108.800 0.003 0.000 2.154 296 G HA2 0.045 4.005 3.960 -0.000 0.000 0.186 296 G HA3 0.045 4.005 3.960 -0.000 0.000 0.186 296 G C 0.237 175.140 174.900 0.004 0.000 1.000 296 G CA -0.319 44.780 45.100 -0.001 0.000 0.664 296 G HN 1.052 nan 8.290 nan 0.000 0.513 297 A N 0.062 122.890 122.820 0.013 0.000 2.280 297 A HA 0.622 4.942 4.320 -0.000 0.000 0.268 297 A C 1.229 178.827 177.584 0.023 0.000 1.111 297 A CA 0.296 52.343 52.037 0.017 0.000 0.814 297 A CB 0.236 19.249 19.000 0.023 0.000 1.093 297 A HN 0.361 nan 8.150 nan 0.000 0.498 298 N N 0.717 119.430 118.700 0.022 0.000 2.434 298 N HA 0.191 4.931 4.740 -0.000 0.000 0.196 298 N C 1.195 176.724 175.510 0.031 0.000 1.183 298 N CA 0.890 53.953 53.050 0.023 0.000 0.849 298 N CB -0.253 38.244 38.487 0.016 0.000 0.992 298 N HN 0.946 nan 8.380 nan 0.000 0.460 299 A N 1.940 124.786 122.820 0.044 0.000 5.123 299 A HA -0.344 3.976 4.320 -0.000 0.000 0.337 299 A C 1.537 179.154 177.584 0.054 0.000 1.775 299 A CA 1.764 53.836 52.037 0.059 0.000 0.704 299 A CB -1.670 17.370 19.000 0.067 0.000 1.426 299 A HN 0.330 nan 8.150 nan 0.000 0.391 300 L N 0.216 121.466 121.223 0.045 0.000 2.127 300 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 300 L C 1.787 178.673 176.870 0.027 0.000 1.089 300 L CA 3.249 58.111 54.840 0.037 0.000 0.757 300 L CB -0.633 41.438 42.059 0.019 0.000 0.899 300 L HN 0.639 nan 8.230 nan 0.000 0.434 301 D N -1.131 119.281 120.400 0.021 0.000 2.178 301 D HA -0.146 4.493 4.640 -0.000 0.000 0.202 301 D C 2.050 178.363 176.300 0.021 0.000 0.974 301 D CA 1.571 55.581 54.000 0.015 0.000 0.841 301 D CB -0.154 40.653 40.800 0.011 0.000 0.953 301 D HN 0.358 nan 8.370 nan 0.000 0.478 302 T N -0.208 114.364 114.554 0.030 0.000 2.812 302 T HA -0.059 4.291 4.350 -0.000 0.000 0.264 302 T C 1.999 176.724 174.700 0.041 0.000 1.042 302 T CA 1.256 63.377 62.100 0.035 0.000 1.140 302 T CB -0.256 68.637 68.868 0.041 0.000 0.870 302 T HN 0.190 nan 8.240 nan 0.000 0.445 303 A N 0.869 123.718 122.820 0.048 0.000 2.015 303 A HA 0.357 4.677 4.320 -0.000 0.000 0.219 303 A C 2.257 179.862 177.584 0.036 0.000 1.163 303 A CA 1.446 53.515 52.037 0.053 0.000 0.646 303 A CB -0.489 18.550 19.000 0.065 0.000 0.806 303 A HN 0.478 nan 8.150 nan 0.000 0.448 304 A N -0.921 121.915 122.820 0.025 0.000 2.348 304 A HA 0.614 4.934 4.320 -0.000 0.000 0.224 304 A C 1.242 178.834 177.584 0.012 0.000 1.227 304 A CA 0.566 52.611 52.037 0.013 0.000 0.885 304 A CB -0.478 18.525 19.000 0.005 0.000 0.933 304 A HN 0.896 nan 8.150 nan 0.000 0.506 305 A N 0.773 123.604 122.820 0.018 0.000 2.770 305 A HA 0.530 4.850 4.320 -0.000 0.000 0.292 305 A C 0.151 177.746 177.584 0.018 0.000 1.604 305 A CA 0.366 52.413 52.037 0.015 0.000 1.271 305 A CB -0.814 18.197 19.000 0.017 0.000 1.075 305 A HN 0.460 nan 8.150 nan 0.000 0.573 306 I N 0.390 120.968 120.570 0.014 0.000 3.445 306 I HA 0.705 4.875 4.170 -0.000 0.000 0.303 306 I C 0.997 177.122 176.117 0.013 0.000 1.129 306 I CA -0.851 60.459 61.300 0.016 0.000 0.989 306 I CB 1.989 39.998 38.000 0.014 0.000 1.314 306 I HN 0.626 nan 8.210 nan 0.000 0.488 307 R N 1.132 121.642 120.500 0.016 0.000 1.837 307 R HA 0.074 4.414 4.340 -0.000 0.000 0.350 307 R C -0.347 175.962 176.300 0.016 0.000 0.201 307 R CA 0.649 56.757 56.100 0.013 0.000 1.435 307 R CB -1.527 28.779 30.300 0.009 0.000 1.783 307 R HN 1.212 nan 8.270 nan 0.000 0.187 308 A N 0.504 123.335 122.820 0.018 0.000 5.100 308 A HA -0.232 4.088 4.320 -0.000 0.000 0.533 308 A C 0.868 178.472 177.584 0.034 0.000 1.142 308 A CA 1.262 53.313 52.037 0.023 0.000 0.463 308 A CB -0.890 18.120 19.000 0.017 0.000 3.021 308 A HN 0.569 nan 8.150 nan 0.000 0.487 309 E N -0.419 119.807 120.200 0.043 0.000 2.516 309 E HA 0.244 4.594 4.350 -0.000 0.000 0.199 309 E C 0.965 177.591 176.600 0.043 0.000 1.069 309 E CA 1.186 57.610 56.400 0.041 0.000 0.876 309 E CB -0.130 29.599 29.700 0.049 0.000 0.843 309 E HN 1.837 nan 8.360 nan 0.000 0.530 310 L N -3.715 117.538 121.223 0.050 0.000 4.269 310 L HA 0.475 4.815 4.340 -0.000 0.000 0.423 310 L C 1.170 178.062 176.870 0.038 0.000 1.158 310 L CA 0.343 55.212 54.840 0.048 0.000 1.472 310 L CB -0.236 41.872 42.059 0.081 0.000 1.521 310 L HN 0.017 nan 8.230 nan 0.000 0.603 311 A N 0.586 123.428 122.820 0.036 0.000 2.119 311 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 311 A C 1.807 179.393 177.584 0.003 0.000 1.153 311 A CA 0.859 52.912 52.037 0.027 0.000 0.692 311 A CB -0.135 18.885 19.000 0.034 0.000 0.799 311 A HN 0.332 nan 8.150 nan 0.000 0.458 312 K N -1.003 119.400 120.400 0.005 0.000 2.426 312 K HA 0.244 4.564 4.320 -0.000 0.000 0.193 312 K C 1.204 177.809 176.600 0.008 0.000 1.028 312 K CA 0.641 56.946 56.287 0.029 0.000 1.047 312 K CB -0.164 32.348 32.500 0.019 0.000 0.821 312 K HN 0.546 nan 8.250 nan 0.000 0.513 313 M N -0.228 119.318 119.600 -0.089 0.000 2.516 313 M HA 0.065 4.545 4.480 -0.000 0.000 0.259 313 M C 1.544 177.412 176.300 -0.720 0.000 1.146 313 M CA 0.714 55.856 55.300 -0.262 0.000 1.122 313 M CB 0.241 32.758 32.600 -0.138 0.000 1.341 313 M HN 0.029 nan 8.290 nan 0.000 0.478 314 E N 0.621 120.590 120.200 -0.385 0.000 2.118 314 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 314 E C -0.887 175.504 176.600 -0.347 0.000 0.992 314 E CA 1.200 57.408 56.400 -0.320 0.000 0.804 314 E CB -0.601 29.091 29.700 -0.013 0.000 0.741 314 E HN 0.414 nan 8.360 nan 0.000 0.458 315 P HA -0.001 nan 4.420 nan 0.000 0.252 315 P C 0.388 177.487 177.300 -0.334 0.000 1.218 315 P CA 0.615 63.564 63.100 -0.251 0.000 0.807 315 P CB 0.142 31.683 31.700 -0.266 0.000 1.072 316 F N -1.043 118.727 119.950 -0.299 0.000 2.692 316 F HA 0.240 4.767 4.527 -0.000 0.000 0.303 316 F C 0.663 176.466 175.800 0.005 0.000 1.114 316 F CA -0.462 57.454 58.000 -0.139 0.000 1.361 316 F CB -0.242 38.687 39.000 -0.119 0.000 1.063 316 F HN -0.285 nan 8.300 nan 0.000 0.550 317 F N 2.347 122.429 119.950 0.220 0.000 2.429 317 F HA 0.259 4.786 4.527 -0.000 0.000 0.348 317 F C -1.041 174.815 175.800 0.093 0.000 1.109 317 F CA -3.428 54.697 58.000 0.210 0.000 1.232 317 F CB -0.549 38.551 39.000 0.167 0.000 1.157 317 F HN -0.107 nan 8.300 nan 0.000 0.564 318 P HA 0.077 nan 4.420 nan 0.000 0.293 318 P C -0.652 176.685 177.300 0.061 0.000 1.298 318 P CA -0.509 62.636 63.100 0.075 0.000 0.757 318 P CB 0.312 31.979 31.700 -0.055 0.000 1.262 319 S N -1.358 114.354 115.700 0.021 0.000 2.498 319 S HA 0.398 4.868 4.470 -0.000 0.000 0.281 319 S C 1.120 175.721 174.600 0.001 0.000 1.265 319 S CA 0.567 58.777 58.200 0.016 0.000 1.071 319 S CB -1.089 62.116 63.200 0.009 0.000 0.894 319 S HN 0.964 nan 8.310 nan 0.000 0.491 320 G N 3.780 112.584 108.800 0.007 0.000 2.349 320 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.213 320 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.213 320 G C 0.087 174.967 174.900 -0.033 0.000 1.044 320 G CA -0.110 44.983 45.100 -0.010 0.000 0.633 320 G HN 0.773 nan 8.290 nan 0.000 0.506 321 L N 1.820 123.012 121.223 -0.052 0.000 2.534 321 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 321 L C 0.426 177.202 176.870 -0.157 0.000 1.178 321 L CA 0.987 55.734 54.840 -0.155 0.000 0.907 321 L CB 0.852 42.777 42.059 -0.223 0.000 1.164 321 L HN 0.510 nan 8.230 nan 0.000 0.482 322 K N 4.445 124.725 120.400 -0.201 0.000 2.502 322 K HA 0.507 4.827 4.320 -0.000 0.000 0.257 322 K C -0.964 175.508 176.600 -0.212 0.000 0.938 322 K CA -0.831 55.380 56.287 -0.127 0.000 0.819 322 K CB 2.040 34.500 32.500 -0.065 0.000 1.333 322 K HN 0.350 nan 8.250 nan 0.000 0.434 323 I N 3.072 123.546 120.570 -0.160 0.000 2.499 323 I HA 0.405 4.575 4.170 -0.000 0.000 0.296 323 I C -0.134 175.719 176.117 -0.439 0.000 0.992 323 I CA -0.734 60.387 61.300 -0.298 0.000 1.297 323 I CB 1.284 39.160 38.000 -0.208 0.000 1.410 323 I HN 0.378 nan 8.210 nan 0.000 0.507 324 V N 6.694 126.212 119.914 -0.660 0.000 3.049 324 V HA 0.461 4.581 4.120 -0.000 0.000 0.309 324 V C -1.729 173.920 176.094 -0.741 0.000 1.148 324 V CA -0.470 61.444 62.300 -0.642 0.000 0.990 324 V CB 2.834 34.274 31.823 -0.638 0.000 1.039 324 V HN 0.547 nan 8.190 nan 0.000 0.430 325 Y N 5.692 125.938 120.300 -0.090 0.000 2.686 325 Y HA 0.565 5.115 4.550 -0.000 0.000 0.331 325 Y C -2.054 173.854 175.900 0.012 0.000 0.996 325 Y CA -1.864 56.206 58.100 -0.050 0.000 1.293 325 Y CB 0.916 39.366 38.460 -0.016 0.000 1.092 325 Y HN 0.543 nan 8.280 nan 0.000 0.524 326 P HA 0.087 nan 4.420 nan 0.000 0.317 326 P C -0.513 176.850 177.300 0.105 0.000 1.307 326 P CA -0.770 62.412 63.100 0.137 0.000 0.749 326 P CB 0.813 32.609 31.700 0.160 0.000 1.377 327 Y N 0.020 120.282 120.300 -0.062 0.000 2.855 327 Y HA -0.242 4.308 4.550 -0.000 0.000 0.220 327 Y C -0.385 175.471 175.900 -0.072 0.000 1.476 327 Y CA 0.688 58.714 58.100 -0.123 0.000 1.075 327 Y CB -0.977 37.294 38.460 -0.314 0.000 1.599 327 Y HN 0.248 nan 8.280 nan 0.000 0.312 328 D N 2.924 123.363 120.400 0.066 0.000 2.780 328 D HA 0.351 4.991 4.640 -0.000 0.000 0.242 328 D C 0.401 176.739 176.300 0.063 0.000 1.135 328 D CA -0.211 53.853 54.000 0.107 0.000 0.859 328 D CB 1.982 42.829 40.800 0.079 0.000 1.530 328 D HN 0.304 nan 8.370 nan 0.000 0.493 329 T N 0.822 115.452 114.554 0.125 0.000 2.983 329 T HA -0.022 4.328 4.350 -0.000 0.000 0.250 329 T C 1.622 176.425 174.700 0.171 0.000 1.037 329 T CA 1.100 63.288 62.100 0.146 0.000 1.142 329 T CB -0.186 68.786 68.868 0.175 0.000 0.876 329 T HN 0.498 nan 8.240 nan 0.000 0.455 330 T N 3.099 117.723 114.554 0.117 0.000 2.572 330 T HA -0.184 4.166 4.350 -0.000 0.000 0.258 330 T C -0.639 174.127 174.700 0.111 0.000 1.154 330 T CA 2.069 64.221 62.100 0.085 0.000 1.157 330 T CB -1.671 67.214 68.868 0.027 0.000 0.856 330 T HN 0.353 nan 8.240 nan 0.000 0.443 331 P HA 0.010 nan 4.420 nan 0.000 0.222 331 P C 1.153 178.618 177.300 0.276 0.000 1.147 331 P CA 0.582 63.780 63.100 0.164 0.000 0.790 331 P CB -0.185 31.612 31.700 0.161 0.000 0.780 332 F N 0.449 120.504 119.950 0.176 0.000 2.146 332 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 332 F C 1.885 177.724 175.800 0.064 0.000 1.096 332 F CA 1.215 59.336 58.000 0.201 0.000 1.275 332 F CB -0.708 38.419 39.000 0.212 0.000 1.008 332 F HN -0.289 nan 8.300 nan 0.000 0.480 333 V N -0.192 119.761 119.914 0.064 0.000 2.427 333 V HA -0.266 3.853 4.120 -0.000 0.000 0.248 333 V C 2.331 178.367 176.094 -0.096 0.000 1.051 333 V CA 2.047 64.301 62.300 -0.076 0.000 1.048 333 V CB -0.908 30.908 31.823 -0.011 0.000 0.666 333 V HN 0.188 nan 8.190 nan 0.000 0.456 334 K N -0.261 120.121 120.400 -0.031 0.000 2.147 334 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 334 K C 1.907 178.477 176.600 -0.051 0.000 1.049 334 K CA 1.411 57.678 56.287 -0.034 0.000 0.936 334 K CB -0.163 32.332 32.500 -0.009 0.000 0.722 334 K HN 0.408 nan 8.250 nan 0.000 0.446 335 I N -0.362 120.158 120.570 -0.084 0.000 3.035 335 I HA -0.098 4.072 4.170 -0.000 0.000 0.271 335 I C 1.609 177.581 176.117 -0.240 0.000 1.190 335 I CA 0.599 61.819 61.300 -0.133 0.000 1.472 335 I CB 0.305 38.208 38.000 -0.162 0.000 1.116 335 I HN 0.011 nan 8.210 nan 0.000 0.443 336 S N 0.395 115.871 115.700 -0.374 0.000 2.383 336 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 336 S C 1.968 176.420 174.600 -0.246 0.000 1.026 336 S CA 1.360 59.308 58.200 -0.419 0.000 0.981 336 S CB -0.263 62.598 63.200 -0.565 0.000 0.818 336 S HN 0.341 nan 8.310 nan 0.000 0.472 337 I N 0.510 120.981 120.570 -0.165 0.000 2.233 337 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 337 I C 2.400 178.497 176.117 -0.033 0.000 1.093 337 I CA 1.325 62.572 61.300 -0.088 0.000 1.380 337 I CB -0.343 37.620 38.000 -0.061 0.000 1.067 337 I HN 0.261 nan 8.210 nan 0.000 0.413 338 H N 0.995 120.000 119.070 -0.109 0.000 2.387 338 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 338 H C 2.054 177.334 175.328 -0.080 0.000 1.099 338 H CA 1.569 57.568 56.048 -0.083 0.000 1.315 338 H CB 0.177 29.892 29.762 -0.078 0.000 1.380 338 H HN 0.192 nan 8.280 nan 0.000 0.513 339 E N -0.459 119.686 120.200 -0.092 0.000 2.158 339 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 339 E C 2.446 178.994 176.600 -0.087 0.000 0.982 339 E CA 0.691 57.018 56.400 -0.122 0.000 0.823 339 E CB -0.033 29.595 29.700 -0.120 0.000 0.766 339 E HN 0.345 nan 8.360 nan 0.000 0.468 340 V N 0.771 120.650 119.914 -0.058 0.000 2.407 340 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 340 V C 2.446 178.531 176.094 -0.017 0.000 1.041 340 V CA 0.946 63.250 62.300 0.007 0.000 1.040 340 V CB -0.182 31.648 31.823 0.012 0.000 0.671 340 V HN 0.048 nan 8.190 nan 0.000 0.455 341 V N -0.282 119.600 119.914 -0.054 0.000 2.515 341 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 341 V C 2.390 178.418 176.094 -0.110 0.000 1.058 341 V CA 1.929 64.194 62.300 -0.058 0.000 1.064 341 V CB -0.605 31.184 31.823 -0.057 0.000 0.675 341 V HN 0.459 nan 8.190 nan 0.000 0.461 342 K N 0.059 120.346 120.400 -0.190 0.000 2.057 342 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 342 K C 2.223 178.756 176.600 -0.111 0.000 1.050 342 K CA 1.761 57.934 56.287 -0.191 0.000 0.935 342 K CB -0.472 31.872 32.500 -0.261 0.000 0.715 342 K HN 0.462 nan 8.250 nan 0.000 0.439 343 T N 1.869 116.371 114.554 -0.085 0.000 2.746 343 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 343 T C 1.492 176.161 174.700 -0.051 0.000 1.039 343 T CA 1.120 63.182 62.100 -0.063 0.000 1.142 343 T CB -0.200 68.644 68.868 -0.041 0.000 0.866 343 T HN 0.157 nan 8.240 nan 0.000 0.444 344 L N 1.641 122.843 121.223 -0.034 0.000 1.990 344 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 344 L C 2.395 179.247 176.870 -0.032 0.000 1.072 344 L CA 1.975 56.802 54.840 -0.021 0.000 0.755 344 L CB -0.972 41.089 42.059 0.005 0.000 0.889 344 L HN 0.163 nan 8.230 nan 0.000 0.432 345 V N 0.315 120.203 119.914 -0.044 0.000 2.407 345 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 345 V C 2.543 178.609 176.094 -0.047 0.000 1.055 345 V CA 1.819 64.090 62.300 -0.048 0.000 1.049 345 V CB -0.590 31.198 31.823 -0.059 0.000 0.662 345 V HN 0.469 nan 8.190 nan 0.000 0.455 346 E N 0.250 120.418 120.200 -0.052 0.000 2.110 346 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 346 E C 2.311 178.887 176.600 -0.040 0.000 0.988 346 E CA 1.245 57.617 56.400 -0.047 0.000 0.804 346 E CB -0.269 29.397 29.700 -0.057 0.000 0.745 346 E HN 0.608 nan 8.360 nan 0.000 0.458 347 A N 0.730 123.522 122.820 -0.046 0.000 1.969 347 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 347 A C 2.059 179.634 177.584 -0.016 0.000 1.169 347 A CA 0.832 52.841 52.037 -0.046 0.000 0.635 347 A CB -0.344 18.622 19.000 -0.056 0.000 0.810 347 A HN 0.120 nan 8.150 nan 0.000 0.445 348 I N -0.750 119.814 120.570 -0.011 0.000 2.233 348 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 348 I C 2.239 178.381 176.117 0.042 0.000 1.093 348 I CA 1.112 62.416 61.300 0.007 0.000 1.380 348 I CB -0.241 37.747 38.000 -0.019 0.000 1.067 348 I HN 0.238 nan 8.210 nan 0.000 0.413 349 I N 0.310 120.888 120.570 0.014 0.000 2.226 349 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 349 I C 2.283 178.467 176.117 0.112 0.000 1.100 349 I CA 1.232 62.560 61.300 0.046 0.000 1.374 349 I CB -0.155 37.843 38.000 -0.004 0.000 1.057 349 I HN 0.206 nan 8.210 nan 0.000 0.413 350 L N -0.562 120.693 121.223 0.054 0.000 2.217 350 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 350 L C 2.508 179.407 176.870 0.049 0.000 1.107 350 L CA 1.097 55.961 54.840 0.040 0.000 0.783 350 L CB -0.565 41.490 42.059 -0.008 0.000 0.919 350 L HN 0.143 nan 8.230 nan 0.000 0.442 351 V N -0.535 119.413 119.914 0.058 0.000 2.453 351 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 351 V C 2.246 178.392 176.094 0.087 0.000 1.048 351 V CA 1.339 63.671 62.300 0.052 0.000 1.049 351 V CB -0.340 31.509 31.823 0.043 0.000 0.672 351 V HN 0.294 nan 8.190 nan 0.000 0.457 352 F N 0.128 120.066 119.950 -0.020 0.000 2.216 352 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 352 F C 1.888 177.705 175.800 0.029 0.000 1.085 352 F CA 1.648 59.631 58.000 -0.027 0.000 1.326 352 F CB -0.065 38.904 39.000 -0.053 0.000 1.027 352 F HN 0.076 nan 8.300 nan 0.000 0.497 353 L N -1.073 120.213 121.223 0.106 0.000 2.044 353 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 353 L C 2.326 179.225 176.870 0.047 0.000 1.075 353 L CA 0.847 55.734 54.840 0.078 0.000 0.747 353 L CB -0.920 41.202 42.059 0.104 0.000 0.903 353 L HN -0.081 nan 8.230 nan 0.000 0.435 354 V N -0.608 119.325 119.914 0.031 0.000 2.490 354 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 354 V C 2.595 178.722 176.094 0.055 0.000 1.061 354 V CA 1.313 63.634 62.300 0.035 0.000 1.064 354 V CB -0.467 31.335 31.823 -0.035 0.000 0.670 354 V HN 0.364 nan 8.190 nan 0.000 0.461 355 M N -1.253 118.344 119.600 -0.005 0.000 2.175 355 M HA -0.125 4.354 4.480 -0.000 0.000 0.264 355 M C 2.216 178.566 176.300 0.083 0.000 1.063 355 M CA 1.706 57.003 55.300 -0.006 0.000 1.119 355 M CB -1.188 31.355 32.600 -0.096 0.000 1.377 355 M HN 0.434 nan 8.290 nan 0.000 0.415 356 Y N 0.187 120.384 120.300 -0.172 0.000 2.337 356 Y HA -0.015 4.535 4.550 -0.000 0.000 0.293 356 Y C 2.084 178.044 175.900 0.100 0.000 1.123 356 Y CA 0.788 58.831 58.100 -0.095 0.000 1.201 356 Y CB -0.254 38.077 38.460 -0.214 0.000 1.011 356 Y HN 0.016 nan 8.280 nan 0.000 0.545 357 L N -1.343 119.971 121.223 0.152 0.000 2.465 357 L HA -0.152 4.188 4.340 -0.000 0.000 0.224 357 L C 1.140 178.065 176.870 0.091 0.000 1.145 357 L CA 1.533 56.422 54.840 0.081 0.000 0.834 357 L CB -0.832 41.243 42.059 0.027 0.000 0.944 357 L HN 0.198 nan 8.230 nan 0.000 0.451 358 F N -1.157 118.801 119.950 0.015 0.000 2.667 358 F HA 0.201 4.728 4.527 -0.000 0.000 0.288 358 F C 0.771 176.663 175.800 0.154 0.000 1.086 358 F CA -0.131 57.891 58.000 0.036 0.000 1.297 358 F CB 0.410 39.410 39.000 0.001 0.000 1.059 358 F HN -0.235 nan 8.300 nan 0.000 0.624 359 L N 1.326 122.743 121.223 0.324 0.000 2.295 359 L HA 0.336 4.676 4.340 -0.000 0.000 0.281 359 L C 1.118 178.169 176.870 0.302 0.000 1.018 359 L CA -0.347 54.664 54.840 0.285 0.000 0.841 359 L CB 1.344 43.530 42.059 0.210 0.000 1.218 359 L HN 0.134 nan 8.230 nan 0.000 0.424 360 Q N 1.256 121.239 119.800 0.306 0.000 2.364 360 Q HA -0.008 4.332 4.340 -0.000 0.000 0.207 360 Q C 0.049 176.254 176.000 0.342 0.000 0.970 360 Q CA 0.730 56.682 55.803 0.249 0.000 0.888 360 Q CB 0.071 28.957 28.738 0.247 0.000 0.951 360 Q HN 0.592 nan 8.270 nan 0.000 0.469 361 N N 1.100 119.974 118.700 0.290 0.000 2.416 361 N HA -0.026 4.714 4.740 -0.000 0.000 0.265 361 N C -0.372 175.343 175.510 0.341 0.000 1.195 361 N CA 0.068 53.284 53.050 0.278 0.000 0.943 361 N CB 0.451 39.043 38.487 0.175 0.000 1.115 361 N HN 0.227 nan 8.380 nan 0.000 0.481 362 F N 3.854 123.946 119.950 0.236 0.000 2.216 362 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 362 F C 2.245 178.083 175.800 0.064 0.000 1.085 362 F CA 1.276 59.327 58.000 0.085 0.000 1.326 362 F CB 0.273 39.306 39.000 0.056 0.000 1.027 362 F HN 0.492 nan 8.300 nan 0.000 0.497 363 R N 0.168 120.808 120.500 0.233 0.000 2.092 363 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 363 R C 2.281 178.625 176.300 0.074 0.000 1.119 363 R CA 1.247 57.436 56.100 0.148 0.000 0.970 363 R CB -1.221 29.169 30.300 0.150 0.000 0.864 363 R HN 0.277 nan 8.270 nan 0.000 0.440 364 A N 1.279 124.144 122.820 0.075 0.000 1.897 364 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 364 A C 1.979 179.564 177.584 0.002 0.000 1.181 364 A CA 1.492 53.564 52.037 0.058 0.000 0.620 364 A CB -0.503 18.552 19.000 0.092 0.000 0.821 364 A HN 0.345 nan 8.150 nan 0.000 0.443 365 T N -0.440 114.068 114.554 -0.078 0.000 3.820 365 T HA 0.449 4.799 4.350 -0.000 0.000 0.224 365 T C 0.597 175.168 174.700 -0.215 0.000 0.869 365 T CA 0.216 62.188 62.100 -0.213 0.000 0.932 365 T CB -0.807 67.814 68.868 -0.412 0.000 1.259 365 T HN 0.335 nan 8.240 nan 0.000 0.676 366 L N -0.085 121.098 121.223 -0.065 0.000 2.885 366 L HA 0.303 4.643 4.340 -0.000 0.000 0.263 366 L C 1.859 178.750 176.870 0.034 0.000 1.033 366 L CA 0.068 54.911 54.840 0.006 0.000 1.051 366 L CB 0.077 42.145 42.059 0.016 0.000 1.860 366 L HN 0.317 nan 8.230 nan 0.000 0.544 367 I N 1.658 122.249 120.570 0.035 0.000 2.127 367 I HA -0.193 3.977 4.170 -0.000 0.000 0.241 367 I C -0.718 175.401 176.117 0.003 0.000 1.075 367 I CA 1.693 63.013 61.300 0.032 0.000 1.334 367 I CB -1.319 36.710 38.000 0.049 0.000 1.040 367 I HN 0.206 nan 8.210 nan 0.000 0.405 368 P HA -0.061 nan 4.420 nan 0.000 0.223 368 P C 1.450 178.754 177.300 0.006 0.000 1.151 368 P CA 1.281 64.379 63.100 -0.003 0.000 0.787 368 P CB -0.145 31.553 31.700 -0.002 0.000 0.788 369 T N -0.553 114.019 114.554 0.031 0.000 2.904 369 T HA 0.019 4.369 4.350 -0.000 0.000 0.267 369 T C 1.404 176.103 174.700 -0.002 0.000 1.059 369 T CA 1.046 63.178 62.100 0.053 0.000 1.137 369 T CB -0.523 68.433 68.868 0.146 0.000 0.879 369 T HN 0.138 nan 8.240 nan 0.000 0.467 370 I N 0.471 121.027 120.570 -0.024 0.000 3.976 370 I HA 0.346 4.516 4.170 -0.000 0.000 0.337 370 I C 2.098 178.141 176.117 -0.123 0.000 1.359 370 I CA -0.137 61.117 61.300 -0.077 0.000 1.098 370 I CB 0.074 38.024 38.000 -0.084 0.000 1.027 370 I HN 0.109 nan 8.210 nan 0.000 0.394 371 A N 0.877 123.646 122.820 -0.086 0.000 1.911 371 A HA -0.006 4.314 4.320 -0.000 0.000 0.212 371 A C 2.241 179.776 177.584 -0.083 0.000 1.189 371 A CA 1.334 53.314 52.037 -0.095 0.000 0.639 371 A CB -0.420 18.542 19.000 -0.062 0.000 0.839 371 A HN 0.257 nan 8.150 nan 0.000 0.449 372 V N -2.895 116.983 119.914 -0.059 0.000 2.878 372 V HA 0.047 4.167 4.120 -0.000 0.000 0.250 372 V C -0.473 175.589 176.094 -0.053 0.000 1.075 372 V CA 0.954 63.222 62.300 -0.052 0.000 1.096 372 V CB -1.444 30.359 31.823 -0.034 0.000 0.724 372 V HN 0.343 nan 8.190 nan 0.000 0.467 373 P HA -0.071 nan 4.420 nan 0.000 0.218 373 P C 1.924 179.201 177.300 -0.038 0.000 1.149 373 P CA 1.460 64.538 63.100 -0.035 0.000 0.817 373 P CB -0.025 31.652 31.700 -0.037 0.000 0.785 374 V N 0.203 120.077 119.914 -0.067 0.000 2.358 374 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 374 V C 2.818 178.875 176.094 -0.062 0.000 1.047 374 V CA 1.557 63.816 62.300 -0.070 0.000 1.035 374 V CB -1.226 30.530 31.823 -0.111 0.000 0.658 374 V HN -0.060 nan 8.190 nan 0.000 0.452 375 V N 0.059 119.929 119.914 -0.073 0.000 2.407 375 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 375 V C 2.320 178.347 176.094 -0.112 0.000 1.055 375 V CA 1.855 64.106 62.300 -0.082 0.000 1.049 375 V CB -0.702 31.074 31.823 -0.077 0.000 0.662 375 V HN 0.430 nan 8.190 nan 0.000 0.455 376 L N -0.563 120.589 121.223 -0.119 0.000 2.017 376 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 376 L C 2.387 179.102 176.870 -0.257 0.000 1.073 376 L CA 1.639 56.344 54.840 -0.225 0.000 0.745 376 L CB -0.654 41.317 42.059 -0.146 0.000 0.894 376 L HN 0.254 nan 8.230 nan 0.000 0.432 377 L N -0.560 120.664 121.223 0.002 0.000 2.131 377 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 377 L C 2.681 179.594 176.870 0.071 0.000 1.092 377 L CA 1.133 56.080 54.840 0.177 0.000 0.759 377 L CB -1.358 40.782 42.059 0.137 0.000 0.903 377 L HN 0.357 nan 8.230 nan 0.000 0.435 378 G N -0.172 108.612 108.800 -0.026 0.000 2.440 378 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 378 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 378 G C 1.593 176.446 174.900 -0.077 0.000 1.154 378 G CA 1.364 46.435 45.100 -0.049 0.000 0.767 378 G HN 0.303 nan 8.290 nan 0.000 0.552 379 T N 0.831 115.295 114.554 -0.150 0.000 2.788 379 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 379 T C 2.052 176.673 174.700 -0.132 0.000 1.044 379 T CA 0.842 62.825 62.100 -0.195 0.000 1.139 379 T CB -0.348 68.341 68.868 -0.299 0.000 0.867 379 T HN 0.331 nan 8.240 nan 0.000 0.454 380 F N 1.314 121.245 119.950 -0.032 0.000 2.216 380 F HA -0.045 4.482 4.527 -0.000 0.000 0.300 380 F C 2.698 178.479 175.800 -0.032 0.000 1.085 380 F CA 0.565 58.552 58.000 -0.021 0.000 1.326 380 F CB -0.196 38.794 39.000 -0.017 0.000 1.027 380 F HN 0.160 nan 8.300 nan 0.000 0.497 381 A N -0.543 122.351 122.820 0.124 0.000 1.930 381 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 381 A C 2.202 179.752 177.584 -0.057 0.000 1.176 381 A CA 1.095 53.150 52.037 0.030 0.000 0.632 381 A CB -0.883 18.119 19.000 0.005 0.000 0.819 381 A HN 0.146 nan 8.150 nan 0.000 0.445 382 V N 0.128 119.978 119.914 -0.106 0.000 2.323 382 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 382 V C 2.510 178.453 176.094 -0.252 0.000 1.041 382 V CA 1.693 63.837 62.300 -0.259 0.000 1.025 382 V CB -0.659 31.026 31.823 -0.231 0.000 0.656 382 V HN 0.549 nan 8.190 nan 0.000 0.451 383 L N 0.090 121.274 121.223 -0.065 0.000 2.131 383 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 383 L C 2.658 179.659 176.870 0.217 0.000 1.092 383 L CA 1.389 56.272 54.840 0.072 0.000 0.759 383 L CB -0.691 41.404 42.059 0.059 0.000 0.903 383 L HN 0.370 nan 8.230 nan 0.000 0.435 384 A N -0.043 122.850 122.820 0.121 0.000 1.930 384 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 384 A C 2.428 180.058 177.584 0.077 0.000 1.175 384 A CA 1.492 53.596 52.037 0.110 0.000 0.627 384 A CB -0.509 18.533 19.000 0.070 0.000 0.815 384 A HN 0.380 nan 8.150 nan 0.000 0.443 385 A N -2.075 120.731 122.820 -0.023 0.000 2.167 385 A HA 0.242 4.562 4.320 -0.000 0.000 0.214 385 A C 1.722 179.322 177.584 0.027 0.000 1.151 385 A CA 0.694 52.682 52.037 -0.081 0.000 0.735 385 A CB -0.542 18.311 19.000 -0.245 0.000 0.802 385 A HN 0.557 nan 8.150 nan 0.000 0.467 386 F N -1.957 118.085 119.950 0.153 0.000 2.717 386 F HA 0.308 4.835 4.527 -0.000 0.000 0.295 386 F C 1.921 177.881 175.800 0.268 0.000 1.117 386 F CA 0.418 58.561 58.000 0.237 0.000 1.361 386 F CB 0.772 39.951 39.000 0.299 0.000 1.112 386 F HN 0.411 nan 8.300 nan 0.000 0.594 387 G N 0.298 109.342 108.800 0.407 0.000 2.231 387 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.206 387 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.206 387 G C 0.128 175.102 174.900 0.123 0.000 0.996 387 G CA -0.723 44.484 45.100 0.178 0.000 0.645 387 G HN 0.130 nan 8.290 nan 0.000 0.498 388 F N 2.853 122.867 119.950 0.107 0.000 2.506 388 F HA 0.491 5.018 4.527 -0.000 0.000 0.351 388 F C 1.397 177.243 175.800 0.077 0.000 1.136 388 F CA 0.419 58.469 58.000 0.083 0.000 1.298 388 F CB 1.045 40.102 39.000 0.094 0.000 1.145 388 F HN 0.218 nan 8.300 nan 0.000 0.593 389 S N 1.792 117.620 115.700 0.212 0.000 2.767 389 S HA 0.555 5.025 4.470 -0.000 0.000 0.300 389 S C -0.224 174.466 174.600 0.151 0.000 1.123 389 S CA -0.967 57.316 58.200 0.139 0.000 0.992 389 S CB 1.253 64.494 63.200 0.068 0.000 1.138 389 S HN 0.483 nan 8.310 nan 0.000 0.550 390 I N 2.412 123.041 120.570 0.097 0.000 2.397 390 I HA 0.070 4.240 4.170 -0.000 0.000 0.291 390 I C 0.244 176.378 176.117 0.029 0.000 1.125 390 I CA -0.042 61.312 61.300 0.089 0.000 1.961 390 I CB -1.164 36.849 38.000 0.022 0.000 1.508 390 I HN 0.398 nan 8.210 nan 0.000 0.886 391 N N 2.005 120.733 118.700 0.047 0.000 2.445 391 N HA 0.160 4.900 4.740 -0.000 0.000 0.264 391 N C 1.346 176.801 175.510 -0.091 0.000 1.227 391 N CA -0.126 52.914 53.050 -0.016 0.000 0.963 391 N CB 0.958 39.469 38.487 0.040 0.000 1.188 391 N HN 0.230 nan 8.380 nan 0.000 0.491 392 T N 0.796 115.236 114.554 -0.191 0.000 2.778 392 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 392 T C 2.016 176.574 174.700 -0.236 0.000 1.050 392 T CA 1.158 63.073 62.100 -0.309 0.000 1.137 392 T CB -0.073 68.607 68.868 -0.314 0.000 0.860 392 T HN 0.326 nan 8.240 nan 0.000 0.468 393 L N 0.999 122.179 121.223 -0.071 0.000 1.993 393 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 393 L C 3.116 180.084 176.870 0.163 0.000 1.074 393 L CA 1.662 56.436 54.840 -0.111 0.000 0.746 393 L CB -1.038 40.845 42.059 -0.294 0.000 0.896 393 L HN 0.353 nan 8.230 nan 0.000 0.435 394 T N -3.050 111.590 114.554 0.145 0.000 2.869 394 T HA -0.230 4.120 4.350 -0.000 0.000 0.270 394 T C 1.780 176.595 174.700 0.191 0.000 1.082 394 T CA 1.095 63.318 62.100 0.204 0.000 1.123 394 T CB -0.193 68.784 68.868 0.181 0.000 0.856 394 T HN 0.033 nan 8.240 nan 0.000 0.499 395 M N 0.330 120.010 119.600 0.133 0.000 2.193 395 M HA 0.337 4.817 4.480 -0.000 0.000 0.265 395 M C 2.016 178.451 176.300 0.225 0.000 1.071 395 M CA 0.441 55.806 55.300 0.107 0.000 1.140 395 M CB -1.317 31.256 32.600 -0.045 0.000 1.369 395 M HN 0.356 nan 8.290 nan 0.000 0.423 396 F N -0.371 119.710 119.950 0.218 0.000 2.293 396 F HA -0.086 4.441 4.527 -0.000 0.000 0.300 396 F C 2.261 178.191 175.800 0.217 0.000 1.086 396 F CA 0.434 58.582 58.000 0.245 0.000 1.375 396 F CB -0.391 38.857 39.000 0.414 0.000 1.045 396 F HN 0.267 nan 8.300 nan 0.000 0.516 397 G N 0.314 109.440 108.800 0.543 0.000 2.422 397 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 397 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 397 G C 1.575 176.510 174.900 0.059 0.000 1.146 397 G CA 0.589 45.809 45.100 0.199 0.000 0.769 397 G HN 0.074 nan 8.290 nan 0.000 0.547 398 M N 0.593 120.230 119.600 0.062 0.000 2.086 398 M HA -0.017 4.463 4.480 -0.000 0.000 0.261 398 M C 2.739 179.046 176.300 0.011 0.000 1.067 398 M CA 0.845 56.129 55.300 -0.027 0.000 1.116 398 M CB -1.393 31.165 32.600 -0.070 0.000 1.348 398 M HN 0.115 nan 8.290 nan 0.000 0.407 399 V N 0.429 120.384 119.914 0.067 0.000 2.307 399 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 399 V C 2.524 178.623 176.094 0.008 0.000 1.045 399 V CA 1.279 63.602 62.300 0.038 0.000 1.024 399 V CB -0.900 30.963 31.823 0.068 0.000 0.651 399 V HN 0.305 nan 8.190 nan 0.000 0.449 400 L N 0.575 121.798 121.223 -0.001 0.000 2.141 400 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 400 L C 2.357 179.264 176.870 0.061 0.000 1.094 400 L CA 2.116 56.953 54.840 -0.005 0.000 0.763 400 L CB -0.818 41.148 42.059 -0.155 0.000 0.908 400 L HN 0.245 nan 8.230 nan 0.000 0.437 401 A N -0.795 122.039 122.820 0.025 0.000 1.930 401 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 401 A C 2.224 179.832 177.584 0.039 0.000 1.176 401 A CA 1.223 53.272 52.037 0.020 0.000 0.632 401 A CB -0.641 18.351 19.000 -0.014 0.000 0.819 401 A HN 0.387 nan 8.150 nan 0.000 0.445 402 I N 0.072 120.668 120.570 0.043 0.000 2.141 402 I HA -0.401 3.769 4.170 -0.000 0.000 0.243 402 I C 2.589 178.761 176.117 0.092 0.000 1.035 402 I CA 1.702 63.027 61.300 0.042 0.000 1.302 402 I CB -0.416 37.597 38.000 0.021 0.000 1.006 402 I HN 0.419 nan 8.210 nan 0.000 0.413 403 G N -0.137 108.811 108.800 0.246 0.000 2.402 403 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 403 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 403 G C 1.581 176.484 174.900 0.005 0.000 1.162 403 G CA 0.250 45.557 45.100 0.344 0.000 0.777 403 G HN 0.333 nan 8.290 nan 0.000 0.539 404 L N 0.432 121.606 121.223 -0.081 0.000 2.633 404 L HA 0.204 4.544 4.340 -0.000 0.000 0.235 404 L C 2.140 178.952 176.870 -0.096 0.000 1.163 404 L CA 0.117 54.864 54.840 -0.155 0.000 0.859 404 L CB 0.036 41.990 42.059 -0.174 0.000 0.973 404 L HN 0.230 nan 8.230 nan 0.000 0.451 405 L N -2.993 118.199 121.223 -0.052 0.000 2.362 405 L HA 0.031 4.371 4.340 -0.000 0.000 0.204 405 L C 2.138 178.982 176.870 -0.043 0.000 1.060 405 L CA 0.150 54.961 54.840 -0.048 0.000 0.827 405 L CB -0.435 41.600 42.059 -0.040 0.000 1.027 405 L HN -0.061 nan 8.230 nan 0.000 0.474 406 V N -0.642 119.257 119.914 -0.026 0.000 2.548 406 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 406 V C 2.151 178.220 176.094 -0.042 0.000 1.055 406 V CA 1.662 63.948 62.300 -0.023 0.000 1.065 406 V CB -0.592 31.231 31.823 -0.001 0.000 0.681 406 V HN 0.380 nan 8.190 nan 0.000 0.462 407 D N 0.845 121.207 120.400 -0.064 0.000 2.116 407 D HA -0.247 4.393 4.640 -0.000 0.000 0.193 407 D C 2.003 178.255 176.300 -0.080 0.000 0.998 407 D CA 1.658 55.602 54.000 -0.093 0.000 0.836 407 D CB -0.293 40.419 40.800 -0.147 0.000 0.951 407 D HN 0.398 nan 8.370 nan 0.000 0.449 408 D N -0.738 119.617 120.400 -0.076 0.000 2.178 408 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 408 D C 1.793 178.069 176.300 -0.041 0.000 0.980 408 D CA 1.116 55.078 54.000 -0.063 0.000 0.842 408 D CB 0.056 40.818 40.800 -0.063 0.000 0.948 408 D HN 0.276 nan 8.370 nan 0.000 0.472 409 A N 0.471 123.268 122.820 -0.037 0.000 1.929 409 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 409 A C 2.318 179.895 177.584 -0.013 0.000 1.176 409 A CA 0.525 52.548 52.037 -0.023 0.000 0.628 409 A CB -0.475 18.510 19.000 -0.025 0.000 0.816 409 A HN 0.184 nan 8.150 nan 0.000 0.444 410 I N 0.173 120.729 120.570 -0.023 0.000 2.127 410 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 410 I C 2.403 178.523 176.117 0.005 0.000 1.075 410 I CA 1.656 62.945 61.300 -0.019 0.000 1.334 410 I CB -0.364 37.607 38.000 -0.048 0.000 1.040 410 I HN 0.222 nan 8.210 nan 0.000 0.405 411 V N -0.161 119.755 119.914 0.004 0.000 2.324 411 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 411 V C 2.359 178.491 176.094 0.063 0.000 1.060 411 V CA 1.789 64.114 62.300 0.041 0.000 1.042 411 V CB -1.180 30.652 31.823 0.015 0.000 0.650 411 V HN 0.287 nan 8.190 nan 0.000 0.450 412 V N -0.174 119.763 119.914 0.038 0.000 2.358 412 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 412 V C 2.441 178.565 176.094 0.049 0.000 1.047 412 V CA 1.918 64.244 62.300 0.044 0.000 1.035 412 V CB -0.400 31.440 31.823 0.027 0.000 0.658 412 V HN 0.439 nan 8.190 nan 0.000 0.452 413 V N -0.346 119.593 119.914 0.042 0.000 2.407 413 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 413 V C 2.553 178.681 176.094 0.057 0.000 1.041 413 V CA 1.829 64.157 62.300 0.047 0.000 1.040 413 V CB -0.470 31.376 31.823 0.038 0.000 0.671 413 V HN 0.546 nan 8.190 nan 0.000 0.455 414 E N 0.847 121.081 120.200 0.057 0.000 2.046 414 E HA -0.224 4.126 4.350 -0.000 0.000 0.190 414 E C 2.059 178.701 176.600 0.071 0.000 0.982 414 E CA 1.498 57.938 56.400 0.068 0.000 0.800 414 E CB -0.334 29.401 29.700 0.058 0.000 0.756 414 E HN 0.692 nan 8.360 nan 0.000 0.449 415 N N -0.295 118.454 118.700 0.081 0.000 2.149 415 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 415 N C 1.928 177.461 175.510 0.039 0.000 1.019 415 N CA 1.371 54.462 53.050 0.067 0.000 0.857 415 N CB 0.233 38.797 38.487 0.128 0.000 0.997 415 N HN -0.013 nan 8.380 nan 0.000 0.426 416 V N 1.234 121.178 119.914 0.050 0.000 2.515 416 V HA -0.118 4.002 4.120 -0.000 0.000 0.250 416 V C 2.079 178.198 176.094 0.042 0.000 1.058 416 V CA 1.293 63.617 62.300 0.041 0.000 1.064 416 V CB -0.506 31.344 31.823 0.046 0.000 0.675 416 V HN 0.289 nan 8.190 nan 0.000 0.461 417 E N 0.842 121.075 120.200 0.055 0.000 2.130 417 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 417 E C 2.351 178.986 176.600 0.058 0.000 0.998 417 E CA 1.848 58.286 56.400 0.065 0.000 0.806 417 E CB -0.310 29.443 29.700 0.088 0.000 0.738 417 E HN 0.735 nan 8.360 nan 0.000 0.459 418 R N 0.681 121.209 120.500 0.046 0.000 2.075 418 R HA -0.027 4.313 4.340 -0.000 0.000 0.226 418 R C 2.213 178.521 176.300 0.014 0.000 1.114 418 R CA 1.051 57.171 56.100 0.033 0.000 0.972 418 R CB -0.354 29.951 30.300 0.008 0.000 0.869 418 R HN -0.042 nan 8.270 nan 0.000 0.437 419 V N 1.923 121.841 119.914 0.006 0.000 2.407 419 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 419 V C 2.268 178.367 176.094 0.007 0.000 1.055 419 V CA 1.879 64.179 62.300 0.001 0.000 1.049 419 V CB -0.386 31.440 31.823 0.004 0.000 0.662 419 V HN 0.400 nan 8.190 nan 0.000 0.455 420 M N -0.769 118.840 119.600 0.015 0.000 2.659 420 M HA 0.123 4.603 4.480 -0.000 0.000 0.243 420 M C 1.533 177.838 176.300 0.008 0.000 1.111 420 M CA 1.063 56.371 55.300 0.013 0.000 1.070 420 M CB -0.112 32.500 32.600 0.020 0.000 1.525 420 M HN 0.414 nan 8.290 nan 0.000 0.517 421 A N -0.745 122.082 122.820 0.010 0.000 1.937 421 A HA 0.124 4.444 4.320 -0.000 0.000 0.198 421 A C 1.685 179.270 177.584 0.001 0.000 1.635 421 A CA -0.046 51.995 52.037 0.005 0.000 1.111 421 A CB 0.101 19.116 19.000 0.025 0.000 1.165 421 A HN 0.266 nan 8.150 nan 0.000 0.460 422 E N 0.310 120.513 120.200 0.005 0.000 2.106 422 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 422 E C 1.358 177.952 176.600 -0.009 0.000 0.984 422 E CA 1.481 57.879 56.400 -0.002 0.000 0.806 422 E CB 0.177 29.872 29.700 -0.009 0.000 0.750 422 E HN 0.543 nan 8.360 nan 0.000 0.458 423 E N -1.629 118.566 120.200 -0.008 0.000 2.447 423 E HA 0.137 4.487 4.350 -0.000 0.000 0.204 423 E C 0.816 177.410 176.600 -0.010 0.000 0.977 423 E CA 0.684 57.078 56.400 -0.009 0.000 0.950 423 E CB 1.065 30.761 29.700 -0.007 0.000 0.975 423 E HN 0.235 nan 8.360 nan 0.000 0.496 424 G N 1.950 110.744 108.800 -0.009 0.000 2.289 424 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.280 424 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.280 424 G C -0.236 174.658 174.900 -0.009 0.000 1.089 424 G CA 0.307 45.400 45.100 -0.012 0.000 0.939 424 G HN 0.151 nan 8.290 nan 0.000 0.499 425 L N -0.760 120.461 121.223 -0.003 0.000 2.441 425 L HA 0.411 4.751 4.340 -0.000 0.000 0.270 425 L C -1.590 175.283 176.870 0.005 0.000 0.973 425 L CA -2.186 52.653 54.840 -0.001 0.000 0.842 425 L CB 2.652 44.711 42.059 -0.000 0.000 1.239 425 L HN -0.056 nan 8.230 nan 0.000 0.406 426 P HA 0.034 nan 4.420 nan 0.000 0.225 426 P C -2.050 175.258 177.300 0.012 0.000 1.156 426 P CA 0.177 63.284 63.100 0.011 0.000 0.787 426 P CB -0.833 30.872 31.700 0.009 0.000 0.802 427 P HA -0.020 nan 4.420 nan 0.000 0.272 427 P C 0.829 178.136 177.300 0.013 0.000 1.248 427 P CA 0.182 63.287 63.100 0.008 0.000 0.799 427 P CB 0.962 32.665 31.700 0.005 0.000 0.997 428 K N 0.154 120.561 120.400 0.012 0.000 2.152 428 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 428 K C 1.879 178.490 176.600 0.018 0.000 1.048 428 K CA 1.733 58.030 56.287 0.016 0.000 0.933 428 K CB -0.132 32.375 32.500 0.012 0.000 0.721 428 K HN 0.429 nan 8.250 nan 0.000 0.447 429 E N 0.400 120.609 120.200 0.015 0.000 2.153 429 E HA -0.153 4.196 4.350 -0.000 0.000 0.194 429 E C 1.814 178.424 176.600 0.016 0.000 0.988 429 E CA 1.185 57.594 56.400 0.015 0.000 0.811 429 E CB -0.082 29.625 29.700 0.011 0.000 0.746 429 E HN 0.334 nan 8.360 nan 0.000 0.466 430 A N 0.201 123.030 122.820 0.016 0.000 1.898 430 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 430 A C 2.244 179.842 177.584 0.023 0.000 1.181 430 A CA 1.738 53.785 52.037 0.017 0.000 0.620 430 A CB -0.788 18.220 19.000 0.014 0.000 0.819 430 A HN 0.258 nan 8.150 nan 0.000 0.442 431 T N -1.045 113.525 114.554 0.027 0.000 3.098 431 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 431 T C 1.832 176.553 174.700 0.035 0.000 1.145 431 T CA 1.400 63.520 62.100 0.034 0.000 1.092 431 T CB -0.061 68.828 68.868 0.036 0.000 0.908 431 T HN 0.420 nan 8.240 nan 0.000 0.526 432 R N 1.063 121.582 120.500 0.031 0.000 2.062 432 R HA 0.260 4.600 4.340 -0.000 0.000 0.218 432 R C 2.133 178.452 176.300 0.032 0.000 1.161 432 R CA 0.825 56.943 56.100 0.031 0.000 0.994 432 R CB 0.023 30.339 30.300 0.026 0.000 0.888 432 R HN 0.064 nan 8.270 nan 0.000 0.442 433 K N 0.224 120.641 120.400 0.028 0.000 2.439 433 K HA -0.021 4.299 4.320 -0.000 0.000 0.197 433 K C 1.742 178.363 176.600 0.036 0.000 1.041 433 K CA 1.109 57.414 56.287 0.028 0.000 0.970 433 K CB 0.190 32.703 32.500 0.021 0.000 0.773 433 K HN 0.238 nan 8.250 nan 0.000 0.479 434 S N 0.701 116.425 115.700 0.039 0.000 2.356 434 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 434 S C 1.821 176.469 174.600 0.080 0.000 1.032 434 S CA 0.977 59.209 58.200 0.052 0.000 1.005 434 S CB -0.210 63.019 63.200 0.048 0.000 0.867 434 S HN 0.130 nan 8.310 nan 0.000 0.449 435 M N 1.755 121.395 119.600 0.066 0.000 2.629 435 M HA 0.094 4.574 4.480 -0.000 0.000 0.257 435 M C 2.173 178.510 176.300 0.061 0.000 1.071 435 M CA 1.022 56.361 55.300 0.065 0.000 1.077 435 M CB -1.895 30.733 32.600 0.047 0.000 1.423 435 M HN 0.579 nan 8.290 nan 0.000 0.508 436 G N 0.275 109.112 108.800 0.061 0.000 2.443 436 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 436 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 436 G C 1.608 176.558 174.900 0.083 0.000 1.131 436 G CA 0.290 45.424 45.100 0.056 0.000 0.775 436 G HN 0.516 nan 8.290 nan 0.000 0.547 437 Q N -0.793 119.086 119.800 0.133 0.000 2.378 437 Q HA 0.248 4.588 4.340 -0.000 0.000 0.216 437 Q C 2.320 178.466 176.000 0.244 0.000 0.892 437 Q CA 0.080 56.024 55.803 0.235 0.000 0.931 437 Q CB 0.518 29.453 28.738 0.328 0.000 1.086 437 Q HN 0.567 nan 8.270 nan 0.000 0.528 438 I N 0.255 120.928 120.570 0.173 0.000 2.628 438 I HA -0.139 4.031 4.170 -0.000 0.000 0.255 438 I C 2.594 178.724 176.117 0.022 0.000 1.119 438 I CA 0.444 61.801 61.300 0.095 0.000 1.448 438 I CB -0.269 37.798 38.000 0.112 0.000 1.133 438 I HN 0.077 nan 8.210 nan 0.000 0.438 439 Q N 2.064 121.880 119.800 0.027 0.000 2.045 439 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 439 Q C 2.201 178.187 176.000 -0.025 0.000 0.991 439 Q CA 2.597 58.401 55.803 0.001 0.000 0.851 439 Q CB -0.592 28.149 28.738 0.005 0.000 0.911 439 Q HN 0.536 nan 8.270 nan 0.000 0.418 440 G N 0.268 109.051 108.800 -0.028 0.000 2.469 440 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 440 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 440 G C 1.505 176.361 174.900 -0.073 0.000 1.136 440 G CA 1.504 46.562 45.100 -0.072 0.000 0.759 440 G HN 0.560 nan 8.290 nan 0.000 0.562 441 A N 0.514 123.315 122.820 -0.031 0.000 1.872 441 A HA 0.192 4.512 4.320 -0.000 0.000 0.214 441 A C 2.440 180.009 177.584 -0.025 0.000 1.187 441 A CA 1.110 53.140 52.037 -0.012 0.000 0.614 441 A CB -0.412 18.507 19.000 -0.134 0.000 0.826 441 A HN 0.323 nan 8.150 nan 0.000 0.442 442 L N -0.045 121.152 121.223 -0.043 0.000 2.042 442 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 442 L C 2.408 179.255 176.870 -0.038 0.000 1.076 442 L CA 1.463 56.278 54.840 -0.041 0.000 0.749 442 L CB -0.635 41.405 42.059 -0.031 0.000 0.893 442 L HN 0.290 nan 8.230 nan 0.000 0.432 443 V N -0.514 119.376 119.914 -0.041 0.000 2.871 443 V HA -0.038 4.082 4.120 -0.000 0.000 0.256 443 V C 2.480 178.545 176.094 -0.049 0.000 1.082 443 V CA 1.345 63.618 62.300 -0.046 0.000 1.105 443 V CB -1.072 30.719 31.823 -0.053 0.000 0.713 443 V HN 0.505 nan 8.190 nan 0.000 0.473 444 G N 2.078 110.851 108.800 -0.045 0.000 2.505 444 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.214 444 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.214 444 G C 1.528 176.472 174.900 0.074 0.000 1.237 444 G CA 1.307 46.415 45.100 0.012 0.000 0.802 444 G HN 0.607 nan 8.290 nan 0.000 0.549 445 I N 0.808 121.406 120.570 0.047 0.000 2.185 445 I HA -0.129 4.041 4.170 -0.000 0.000 0.246 445 I C 2.957 179.045 176.117 -0.050 0.000 1.088 445 I CA 1.858 63.142 61.300 -0.026 0.000 1.347 445 I CB -0.962 36.992 38.000 -0.076 0.000 1.041 445 I HN 0.186 nan 8.210 nan 0.000 0.415 446 A N 1.292 124.086 122.820 -0.044 0.000 1.903 446 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 446 A C 2.418 179.979 177.584 -0.038 0.000 1.191 446 A CA 2.602 54.612 52.037 -0.046 0.000 0.638 446 A CB -0.727 18.251 19.000 -0.037 0.000 0.823 446 A HN 0.520 nan 8.150 nan 0.000 0.451 447 M N -0.419 119.166 119.600 -0.024 0.000 2.159 447 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 447 M C 2.075 178.362 176.300 -0.021 0.000 1.063 447 M CA 1.444 56.734 55.300 -0.015 0.000 1.110 447 M CB -0.938 31.658 32.600 -0.006 0.000 1.374 447 M HN 0.336 nan 8.290 nan 0.000 0.411 448 V N -0.532 119.365 119.914 -0.028 0.000 2.951 448 V HA -0.133 3.986 4.120 -0.000 0.000 0.255 448 V C 2.260 178.290 176.094 -0.106 0.000 1.088 448 V CA 0.749 63.015 62.300 -0.056 0.000 1.109 448 V CB -0.908 30.879 31.823 -0.060 0.000 0.724 448 V HN 0.355 nan 8.190 nan 0.000 0.471 449 L N 1.304 122.454 121.223 -0.121 0.000 2.109 449 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 449 L C 2.499 179.287 176.870 -0.137 0.000 1.086 449 L CA 1.552 56.277 54.840 -0.191 0.000 0.760 449 L CB -0.666 41.278 42.059 -0.192 0.000 0.910 449 L HN 0.471 nan 8.230 nan 0.000 0.437 450 S N -0.266 115.400 115.700 -0.057 0.000 2.607 450 S HA 0.124 4.594 4.470 -0.000 0.000 0.224 450 S C 1.722 176.309 174.600 -0.021 0.000 0.969 450 S CA 0.410 58.604 58.200 -0.009 0.000 0.927 450 S CB -0.018 63.175 63.200 -0.011 0.000 0.772 450 S HN 0.312 nan 8.310 nan 0.000 0.533 451 A N 1.049 123.843 122.820 -0.044 0.000 2.238 451 A HA 0.463 4.783 4.320 -0.000 0.000 0.210 451 A C 1.782 179.335 177.584 -0.051 0.000 1.179 451 A CA 0.554 52.571 52.037 -0.035 0.000 0.827 451 A CB -0.210 18.771 19.000 -0.032 0.000 0.856 451 A HN 0.776 nan 8.150 nan 0.000 0.488 452 V N -5.890 113.976 119.914 -0.079 0.000 3.562 452 V HA 0.341 4.461 4.120 -0.000 0.000 0.270 452 V C 1.662 177.744 176.094 -0.021 0.000 1.418 452 V CA 0.102 62.338 62.300 -0.107 0.000 1.033 452 V CB -0.680 31.037 31.823 -0.177 0.000 0.820 452 V HN 0.187 nan 8.190 nan 0.000 0.441 453 F N 1.954 121.795 119.950 -0.182 0.000 2.222 453 F HA 0.259 4.786 4.527 -0.000 0.000 0.285 453 F C 2.325 178.000 175.800 -0.209 0.000 1.068 453 F CA 1.342 59.230 58.000 -0.188 0.000 1.265 453 F CB -0.314 38.594 39.000 -0.154 0.000 1.087 453 F HN -0.008 nan 8.300 nan 0.000 0.511 454 V N 1.832 121.721 119.914 -0.043 0.000 2.407 454 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 454 V C -0.517 175.299 176.094 -0.463 0.000 1.055 454 V CA 1.688 63.823 62.300 -0.275 0.000 1.049 454 V CB -2.394 29.273 31.823 -0.260 0.000 0.662 454 V HN 0.153 nan 8.190 nan 0.000 0.455 455 P HA -0.195 nan 4.420 nan 0.000 0.216 455 P C 1.846 179.159 177.300 0.021 0.000 1.150 455 P CA 1.634 64.726 63.100 -0.013 0.000 0.837 455 P CB -0.120 31.614 31.700 0.057 0.000 0.786 456 M N -0.983 118.553 119.600 -0.106 0.000 2.506 456 M HA 0.073 4.553 4.480 -0.000 0.000 0.260 456 M C 1.734 178.007 176.300 -0.045 0.000 1.104 456 M CA 0.828 56.048 55.300 -0.132 0.000 1.112 456 M CB -0.493 31.922 32.600 -0.309 0.000 1.401 456 M HN -0.127 nan 8.290 nan 0.000 0.473 457 A N -0.875 121.862 122.820 -0.139 0.000 2.235 457 A HA -0.036 4.284 4.320 -0.000 0.000 0.208 457 A C 0.961 178.561 177.584 0.027 0.000 1.172 457 A CA 0.268 52.222 52.037 -0.139 0.000 0.786 457 A CB -0.852 17.965 19.000 -0.305 0.000 0.804 457 A HN 0.407 nan 8.150 nan 0.000 0.479 458 F N 1.108 121.186 119.950 0.213 0.000 2.754 458 F HA 0.178 4.705 4.527 -0.000 0.000 0.303 458 F C 1.123 177.231 175.800 0.512 0.000 1.196 458 F CA -1.493 56.725 58.000 0.363 0.000 1.416 458 F CB -1.691 37.415 39.000 0.176 0.000 1.092 458 F HN 0.390 nan 8.300 nan 0.000 0.541 459 F N -0.275 119.822 119.950 0.244 0.000 1.456 459 F HA 0.094 4.621 4.527 -0.000 0.000 0.069 459 F C 0.528 176.433 175.800 0.175 0.000 0.166 459 F CA -0.106 58.023 58.000 0.215 0.000 0.311 459 F CB -1.279 37.819 39.000 0.164 0.000 0.715 459 F HN 0.315 nan 8.300 nan 0.000 0.666 460 G N -1.478 107.260 108.800 -0.103 0.000 2.318 460 G HA2 0.649 4.609 3.960 -0.000 0.000 0.302 460 G HA3 0.649 4.609 3.960 -0.000 0.000 0.302 460 G C 0.083 174.943 174.900 -0.066 0.000 1.633 460 G CA 0.684 45.645 45.100 -0.231 0.000 0.965 460 G HN 2.997 nan 8.290 nan 0.000 0.698 461 G N 0.366 109.111 108.800 -0.092 0.000 2.547 461 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.271 461 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.271 461 G C 1.552 176.439 174.900 -0.021 0.000 1.209 461 G CA 1.200 46.273 45.100 -0.046 0.000 0.959 461 G HN 2.073 nan 8.290 nan 0.000 0.563 462 S N -0.526 115.148 115.700 -0.043 0.000 2.406 462 S HA 0.030 4.500 4.470 -0.000 0.000 0.228 462 S C 2.090 176.693 174.600 0.005 0.000 1.020 462 S CA 2.020 60.188 58.200 -0.052 0.000 0.965 462 S CB -0.386 62.720 63.200 -0.157 0.000 0.798 462 S HN 0.962 nan 8.310 nan 0.000 0.488 463 T N 1.910 116.470 114.554 0.009 0.000 3.658 463 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 463 T C 1.286 176.059 174.700 0.123 0.000 1.060 463 T CA 0.312 62.464 62.100 0.086 0.000 0.962 463 T CB -0.272 68.632 68.868 0.059 0.000 1.075 463 T HN 0.423 nan 8.240 nan 0.000 0.610 464 G N 2.068 110.977 108.800 0.182 0.000 2.688 464 G HA2 0.098 4.058 3.960 -0.000 0.000 0.211 464 G HA3 0.098 4.058 3.960 -0.000 0.000 0.211 464 G C 1.778 176.907 174.900 0.382 0.000 1.399 464 G CA 0.364 45.715 45.100 0.418 0.000 0.901 464 G HN 0.491 nan 8.290 nan 0.000 0.555 465 A N 0.216 123.166 122.820 0.216 0.000 1.958 465 A HA -0.125 4.195 4.320 -0.000 0.000 0.221 465 A C 2.402 180.013 177.584 0.045 0.000 1.178 465 A CA 1.965 54.044 52.037 0.071 0.000 0.642 465 A CB -0.539 18.476 19.000 0.025 0.000 0.816 465 A HN 0.376 nan 8.150 nan 0.000 0.453 466 I N -1.701 118.876 120.570 0.012 0.000 2.074 466 I HA -0.356 3.814 4.170 -0.000 0.000 0.238 466 I C 2.390 178.479 176.117 -0.047 0.000 1.037 466 I CA 2.187 63.408 61.300 -0.132 0.000 1.301 466 I CB -0.614 37.239 38.000 -0.245 0.000 1.016 466 I HN 0.507 nan 8.210 nan 0.000 0.400 467 Y N -0.958 119.377 120.300 0.059 0.000 2.475 467 Y HA -0.054 4.496 4.550 -0.000 0.000 0.289 467 Y C 2.686 178.586 175.900 0.001 0.000 1.121 467 Y CA 0.063 58.203 58.100 0.066 0.000 1.257 467 Y CB -0.060 38.474 38.460 0.124 0.000 1.026 467 Y HN 0.114 nan 8.280 nan 0.000 0.555 468 R N 1.126 121.701 120.500 0.126 0.000 2.064 468 R HA -0.182 4.158 4.340 -0.000 0.000 0.228 468 R C 1.885 178.170 176.300 -0.024 0.000 1.144 468 R CA 1.756 57.800 56.100 -0.093 0.000 0.932 468 R CB -0.465 29.591 30.300 -0.406 0.000 0.833 468 R HN 0.377 nan 8.270 nan 0.000 0.429 469 Q N -0.382 119.483 119.800 0.108 0.000 2.112 469 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 469 Q C 2.157 178.228 176.000 0.118 0.000 0.987 469 Q CA 2.051 57.977 55.803 0.204 0.000 0.858 469 Q CB -0.231 28.648 28.738 0.236 0.000 0.905 469 Q HN 0.457 nan 8.270 nan 0.000 0.420 470 F N 0.134 120.051 119.950 -0.056 0.000 2.102 470 F HA -0.262 4.264 4.527 -0.000 0.000 0.298 470 F C 2.939 178.487 175.800 -0.421 0.000 1.105 470 F CA 0.739 58.663 58.000 -0.127 0.000 1.239 470 F CB -0.067 38.915 39.000 -0.030 0.000 0.991 470 F HN 0.165 nan 8.300 nan 0.000 0.474 471 S N 0.806 116.234 115.700 -0.453 0.000 2.344 471 S HA -0.267 4.203 4.470 -0.000 0.000 0.217 471 S C 1.952 176.248 174.600 -0.508 0.000 1.033 471 S CA 1.547 59.138 58.200 -1.016 0.000 1.017 471 S CB -0.735 62.014 63.200 -0.751 0.000 0.941 471 S HN 0.359 nan 8.310 nan 0.000 0.430 472 I N 1.541 121.911 120.570 -0.333 0.000 2.248 472 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 472 I C 2.265 178.238 176.117 -0.239 0.000 1.107 472 I CA 2.132 63.262 61.300 -0.283 0.000 1.373 472 I CB -0.759 37.007 38.000 -0.390 0.000 1.055 472 I HN 0.357 nan 8.210 nan 0.000 0.418 473 T N 0.947 115.368 114.554 -0.221 0.000 2.720 473 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 473 T C 1.754 176.400 174.700 -0.090 0.000 1.037 473 T CA 2.284 64.300 62.100 -0.140 0.000 1.144 473 T CB -0.349 68.508 68.868 -0.018 0.000 0.864 473 T HN 0.397 nan 8.240 nan 0.000 0.444 474 I N 0.192 120.728 120.570 -0.058 0.000 3.030 474 I HA 0.027 4.197 4.170 -0.000 0.000 0.270 474 I C 2.213 178.390 176.117 0.099 0.000 1.211 474 I CA 0.208 61.544 61.300 0.059 0.000 1.479 474 I CB -0.080 38.073 38.000 0.254 0.000 1.105 474 I HN 0.043 nan 8.210 nan 0.000 0.447 475 V N 0.997 120.944 119.914 0.055 0.000 2.323 475 V HA -0.237 3.883 4.120 -0.000 0.000 0.244 475 V C 2.690 178.784 176.094 0.001 0.000 1.041 475 V CA 2.298 64.631 62.300 0.055 0.000 1.025 475 V CB -0.480 31.342 31.823 -0.002 0.000 0.656 475 V HN 0.599 nan 8.190 nan 0.000 0.451 476 S N 1.271 116.953 115.700 -0.030 0.000 2.356 476 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 476 S C 2.163 176.735 174.600 -0.047 0.000 1.032 476 S CA 1.406 59.587 58.200 -0.032 0.000 1.005 476 S CB -0.790 62.379 63.200 -0.052 0.000 0.867 476 S HN 0.573 nan 8.310 nan 0.000 0.449 477 A N 2.592 125.378 122.820 -0.058 0.000 1.940 477 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 477 A C 2.336 179.892 177.584 -0.047 0.000 1.176 477 A CA 1.909 53.908 52.037 -0.064 0.000 0.631 477 A CB -0.873 18.085 19.000 -0.068 0.000 0.814 477 A HN 0.740 nan 8.150 nan 0.000 0.446 478 M N -0.242 119.342 119.600 -0.027 0.000 2.067 478 M HA -0.100 4.380 4.480 -0.000 0.000 0.260 478 M C 2.235 178.514 176.300 -0.036 0.000 1.069 478 M CA 2.068 57.348 55.300 -0.034 0.000 1.117 478 M CB -0.379 32.207 32.600 -0.023 0.000 1.334 478 M HN 0.330 nan 8.290 nan 0.000 0.407 479 A N 0.925 123.729 122.820 -0.027 0.000 1.908 479 A HA -0.114 4.205 4.320 -0.000 0.000 0.218 479 A C 2.030 179.594 177.584 -0.032 0.000 1.181 479 A CA 1.826 53.848 52.037 -0.025 0.000 0.627 479 A CB -1.064 17.928 19.000 -0.014 0.000 0.818 479 A HN 0.638 nan 8.150 nan 0.000 0.445 480 L N 0.313 121.511 121.223 -0.041 0.000 2.056 480 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 480 L C 3.008 179.848 176.870 -0.049 0.000 1.078 480 L CA 1.542 56.353 54.840 -0.048 0.000 0.749 480 L CB -0.502 41.520 42.059 -0.061 0.000 0.901 480 L HN 0.577 nan 8.230 nan 0.000 0.433 481 S N -0.725 114.944 115.700 -0.052 0.000 2.368 481 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 481 S C 1.959 176.532 174.600 -0.046 0.000 1.030 481 S CA 1.230 59.399 58.200 -0.052 0.000 0.999 481 S CB -0.787 62.379 63.200 -0.056 0.000 0.844 481 S HN 0.146 nan 8.310 nan 0.000 0.459 482 V N 1.840 121.729 119.914 -0.042 0.000 2.358 482 V HA -0.053 4.067 4.120 -0.000 0.000 0.246 482 V C 2.603 178.681 176.094 -0.027 0.000 1.047 482 V CA 1.691 63.970 62.300 -0.036 0.000 1.035 482 V CB -0.787 31.015 31.823 -0.036 0.000 0.658 482 V HN 0.434 nan 8.190 nan 0.000 0.452 483 L N -0.605 120.602 121.223 -0.027 0.000 2.046 483 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 483 L C 2.460 179.318 176.870 -0.020 0.000 1.077 483 L CA 1.280 56.108 54.840 -0.020 0.000 0.747 483 L CB -0.510 41.537 42.059 -0.021 0.000 0.896 483 L HN 0.171 nan 8.230 nan 0.000 0.432 484 V N -0.190 119.705 119.914 -0.032 0.000 2.343 484 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 484 V C 2.402 178.479 176.094 -0.028 0.000 1.051 484 V CA 1.788 64.064 62.300 -0.040 0.000 1.036 484 V CB -0.734 31.053 31.823 -0.060 0.000 0.654 484 V HN 0.499 nan 8.190 nan 0.000 0.451 485 A N -1.537 121.268 122.820 -0.026 0.000 2.235 485 A HA 0.154 4.474 4.320 -0.000 0.000 0.208 485 A C 1.969 179.551 177.584 -0.004 0.000 1.172 485 A CA 0.793 52.820 52.037 -0.016 0.000 0.786 485 A CB -0.225 18.762 19.000 -0.023 0.000 0.804 485 A HN 0.533 nan 8.150 nan 0.000 0.479 486 L N -1.818 119.404 121.223 -0.002 0.000 2.577 486 L HA 0.246 4.586 4.340 -0.000 0.000 0.225 486 L C 1.778 178.660 176.870 0.021 0.000 1.053 486 L CA 0.383 55.228 54.840 0.007 0.000 0.866 486 L CB 0.163 42.223 42.059 0.001 0.000 1.132 486 L HN 0.379 nan 8.230 nan 0.000 0.486 487 I N -1.754 118.828 120.570 0.020 0.000 3.523 487 I HA -0.049 4.121 4.170 -0.000 0.000 0.244 487 I C 1.883 178.028 176.117 0.048 0.000 1.110 487 I CA 0.139 61.464 61.300 0.040 0.000 1.517 487 I CB -0.209 37.816 38.000 0.041 0.000 1.505 487 I HN -0.025 nan 8.210 nan 0.000 0.460 488 L N 0.859 122.092 121.223 0.016 0.000 1.988 488 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 488 L C 2.434 179.311 176.870 0.011 0.000 1.071 488 L CA 2.309 57.144 54.840 -0.008 0.000 0.744 488 L CB -0.908 41.086 42.059 -0.108 0.000 0.893 488 L HN 0.243 nan 8.230 nan 0.000 0.433 489 T N 0.529 115.080 114.554 -0.006 0.000 2.684 489 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 489 T C -0.467 174.260 174.700 0.044 0.000 1.036 489 T CA 1.943 64.050 62.100 0.011 0.000 1.148 489 T CB -1.427 67.439 68.868 -0.003 0.000 0.863 489 T HN 0.332 nan 8.240 nan 0.000 0.436 490 P HA 0.030 nan 4.420 nan 0.000 0.217 490 P C 1.556 178.900 177.300 0.073 0.000 1.150 490 P CA 1.236 64.368 63.100 0.054 0.000 0.832 490 P CB -0.222 31.506 31.700 0.047 0.000 0.787 491 A N -0.468 122.407 122.820 0.093 0.000 1.855 491 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 491 A C 2.275 179.956 177.584 0.162 0.000 1.191 491 A CA 1.339 53.450 52.037 0.124 0.000 0.613 491 A CB -1.681 17.419 19.000 0.167 0.000 0.829 491 A HN 0.115 nan 8.150 nan 0.000 0.442 492 L N -0.860 120.498 121.223 0.224 0.000 2.079 492 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 492 L C 2.730 179.694 176.870 0.157 0.000 1.081 492 L CA 1.560 56.566 54.840 0.277 0.000 0.752 492 L CB -0.303 41.912 42.059 0.260 0.000 0.896 492 L HN 0.616 nan 8.230 nan 0.000 0.433 493 C N -0.802 118.563 119.300 0.108 0.000 2.425 493 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 493 C C 2.944 177.975 174.990 0.067 0.000 1.280 493 C CA 0.847 59.913 59.018 0.079 0.000 1.744 493 C CB -0.726 27.052 27.740 0.064 0.000 1.989 493 C HN 0.645 nan 8.230 nan 0.000 0.491 494 A N -0.809 122.050 122.820 0.064 0.000 1.903 494 A HA -0.027 4.293 4.320 -0.000 0.000 0.213 494 A C 2.239 179.843 177.584 0.032 0.000 1.185 494 A CA 2.057 54.120 52.037 0.044 0.000 0.628 494 A CB -1.082 17.942 19.000 0.039 0.000 0.830 494 A HN 0.545 nan 8.150 nan 0.000 0.446 495 T N -0.908 113.668 114.554 0.037 0.000 2.708 495 T HA 0.006 4.356 4.350 -0.000 0.000 0.266 495 T C 0.729 175.433 174.700 0.007 0.000 1.037 495 T CA 1.473 63.574 62.100 0.000 0.000 1.146 495 T CB -0.112 68.741 68.868 -0.024 0.000 0.865 495 T HN 0.298 nan 8.240 nan 0.000 0.435 496 M N 0.511 120.137 119.600 0.044 0.000 2.215 496 M HA 0.362 4.842 4.480 -0.000 0.000 0.251 496 M C -1.166 175.177 176.300 0.073 0.000 0.987 496 M CA -0.318 55.012 55.300 0.050 0.000 1.025 496 M CB 2.055 34.683 32.600 0.048 0.000 2.064 496 M HN 0.204 nan 8.290 nan 0.000 0.473 497 L N 4.334 125.595 121.223 0.063 0.000 2.688 497 L HA 0.483 4.823 4.340 -0.000 0.000 0.216 497 L C -0.146 176.766 176.870 0.069 0.000 1.036 497 L CA 1.119 56.000 54.840 0.068 0.000 0.906 497 L CB 0.235 42.331 42.059 0.061 0.000 1.501 497 L HN 0.653 nan 8.230 nan 0.000 0.489 514 G N -0.281 108.489 108.800 -0.049 0.000 2.776 514 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.209 514 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.209 514 G C 0.413 175.442 174.900 0.215 0.000 1.145 514 G CA 0.237 45.394 45.100 0.096 0.000 0.791 514 G HN 0.546 nan 8.290 nan 0.000 0.530 515 W N 0.514 121.855 121.300 0.068 0.000 2.409 515 W HA 0.185 4.845 4.660 -0.000 0.000 0.299 515 W C 1.889 178.294 176.519 -0.192 0.000 1.203 515 W CA -0.242 57.011 57.345 -0.154 0.000 1.298 515 W CB -1.465 27.780 29.460 -0.358 0.000 1.127 515 W HN 0.225 nan 8.180 nan 0.000 0.528 516 F N 1.776 121.857 119.950 0.218 0.000 2.134 516 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 516 F C 2.187 178.173 175.800 0.310 0.000 1.097 516 F CA 1.369 59.511 58.000 0.236 0.000 1.264 516 F CB -1.330 37.823 39.000 0.254 0.000 1.001 516 F HN -0.143 nan 8.300 nan 0.000 0.479 517 N N 0.497 119.421 118.700 0.373 0.000 2.149 517 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 517 N C 1.866 177.499 175.510 0.205 0.000 1.019 517 N CA 1.171 54.364 53.050 0.239 0.000 0.857 517 N CB -0.373 38.205 38.487 0.152 0.000 0.997 517 N HN 0.351 nan 8.380 nan 0.000 0.426 518 R N -0.190 120.417 120.500 0.178 0.000 2.075 518 R HA 0.117 4.457 4.340 -0.000 0.000 0.226 518 R C 2.258 178.607 176.300 0.083 0.000 1.114 518 R CA 0.616 56.791 56.100 0.124 0.000 0.972 518 R CB -0.172 30.185 30.300 0.094 0.000 0.869 518 R HN 0.126 nan 8.270 nan 0.000 0.437 519 M N 0.033 119.650 119.600 0.028 0.000 2.059 519 M HA -0.138 4.341 4.480 -0.000 0.000 0.259 519 M C 1.845 178.095 176.300 -0.084 0.000 1.072 519 M CA 1.849 57.087 55.300 -0.104 0.000 1.117 519 M CB -0.483 31.948 32.600 -0.283 0.000 1.320 519 M HN 0.074 nan 8.290 nan 0.000 0.408 520 F N 0.494 120.455 119.950 0.018 0.000 2.202 520 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 520 F C 2.511 178.266 175.800 -0.075 0.000 1.082 520 F CA 1.562 59.555 58.000 -0.012 0.000 1.313 520 F CB -0.461 38.536 39.000 -0.006 0.000 1.024 520 F HN 0.358 nan 8.300 nan 0.000 0.495 521 E N 0.654 120.932 120.200 0.130 0.000 1.998 521 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 521 E C 2.164 178.848 176.600 0.141 0.000 1.003 521 E CA 1.314 57.746 56.400 0.053 0.000 0.829 521 E CB -0.027 29.786 29.700 0.189 0.000 0.777 521 E HN 0.063 nan 8.360 nan 0.000 0.460 522 K N 0.553 121.087 120.400 0.222 0.000 2.127 522 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 522 K C 2.187 178.884 176.600 0.162 0.000 1.047 522 K CA 1.490 57.933 56.287 0.260 0.000 0.927 522 K CB -0.556 32.002 32.500 0.097 0.000 0.716 522 K HN 0.018 nan 8.250 nan 0.000 0.450 523 S N -0.698 115.039 115.700 0.061 0.000 2.336 523 S HA -0.123 4.347 4.470 -0.000 0.000 0.214 523 S C 1.853 176.535 174.600 0.136 0.000 1.032 523 S CA 1.930 60.163 58.200 0.055 0.000 1.001 523 S CB -0.541 62.626 63.200 -0.055 0.000 0.953 523 S HN 0.402 nan 8.310 nan 0.000 0.430 524 T N 1.143 115.734 114.554 0.062 0.000 2.788 524 T HA 0.002 4.352 4.350 -0.000 0.000 0.268 524 T C 1.140 175.874 174.700 0.056 0.000 1.044 524 T CA 1.424 63.544 62.100 0.034 0.000 1.139 524 T CB -0.452 68.400 68.868 -0.025 0.000 0.867 524 T HN 0.564 nan 8.240 nan 0.000 0.454 525 H N -0.151 118.931 119.070 0.019 0.000 3.186 525 H HA 0.177 4.733 4.556 -0.000 0.000 0.134 525 H C 2.069 177.359 175.328 -0.064 0.000 1.509 525 H CA -0.363 55.627 56.048 -0.096 0.000 1.587 525 H CB 0.045 29.656 29.762 -0.251 0.000 1.197 525 H HN 0.143 nan 8.280 nan 0.000 0.750 526 H N -0.433 118.752 119.070 0.193 0.000 2.064 526 H HA -0.365 4.191 4.556 -0.000 0.000 0.220 526 H C 2.224 177.574 175.328 0.036 0.000 1.177 526 H CA 2.580 58.683 56.048 0.092 0.000 1.450 526 H CB -1.203 28.610 29.762 0.085 0.000 1.750 526 H HN 0.540 nan 8.280 nan 0.000 0.703 527 Y N 1.741 122.038 120.300 -0.005 0.000 2.092 527 Y HA -0.193 4.357 4.550 -0.000 0.000 0.282 527 Y C 2.862 178.684 175.900 -0.130 0.000 1.126 527 Y CA 2.273 60.229 58.100 -0.240 0.000 1.111 527 Y CB -0.578 37.709 38.460 -0.288 0.000 0.987 527 Y HN 0.170 nan 8.280 nan 0.000 0.489 528 T N 0.821 115.304 114.554 -0.117 0.000 2.833 528 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 528 T C 1.258 175.847 174.700 -0.185 0.000 1.054 528 T CA 1.512 63.492 62.100 -0.201 0.000 1.135 528 T CB -0.386 68.472 68.868 -0.015 0.000 0.869 528 T HN 0.550 nan 8.240 nan 0.000 0.466 529 D N 1.860 122.202 120.400 -0.096 0.000 2.162 529 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 529 D C 2.409 178.658 176.300 -0.085 0.000 0.967 529 D CA 1.257 55.209 54.000 -0.079 0.000 0.840 529 D CB -0.534 40.241 40.800 -0.042 0.000 0.972 529 D HN 0.565 nan 8.370 nan 0.000 0.482 530 S N 0.777 116.442 115.700 -0.058 0.000 2.428 530 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 530 S C 2.237 176.806 174.600 -0.052 0.000 1.014 530 S CA 0.283 58.491 58.200 0.013 0.000 0.957 530 S CB -0.571 62.737 63.200 0.181 0.000 0.784 530 S HN 0.081 nan 8.310 nan 0.000 0.499 531 V N 2.395 122.174 119.914 -0.224 0.000 2.343 531 V HA -0.070 4.050 4.120 -0.000 0.000 0.247 531 V C 2.866 178.738 176.094 -0.371 0.000 1.051 531 V CA 1.965 64.038 62.300 -0.379 0.000 1.036 531 V CB -1.526 29.903 31.823 -0.657 0.000 0.654 531 V HN 0.661 nan 8.190 nan 0.000 0.451 532 G N -0.345 108.285 108.800 -0.284 0.000 2.408 532 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 532 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 532 G C 1.602 176.389 174.900 -0.188 0.000 1.150 532 G CA 0.874 45.833 45.100 -0.234 0.000 0.776 532 G HN 0.586 nan 8.290 nan 0.000 0.542 533 G N 1.540 110.259 108.800 -0.134 0.000 2.402 533 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 533 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 533 G C 1.825 176.671 174.900 -0.089 0.000 1.162 533 G CA 1.015 46.070 45.100 -0.075 0.000 0.777 533 G HN 0.666 nan 8.290 nan 0.000 0.539 534 I N -2.041 118.425 120.570 -0.174 0.000 2.761 534 I HA 0.178 4.348 4.170 -0.000 0.000 0.261 534 I C 2.325 178.167 176.117 -0.458 0.000 1.198 534 I CA 0.628 61.749 61.300 -0.298 0.000 1.482 534 I CB -0.156 37.618 38.000 -0.377 0.000 1.100 534 I HN 0.031 nan 8.210 nan 0.000 0.445 535 L N 0.944 121.883 121.223 -0.474 0.000 2.217 535 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 535 L C 2.875 179.557 176.870 -0.314 0.000 1.107 535 L CA 0.966 55.484 54.840 -0.537 0.000 0.783 535 L CB -0.347 41.437 42.059 -0.458 0.000 0.919 535 L HN 0.215 nan 8.230 nan 0.000 0.442 536 R N -0.265 120.123 120.500 -0.188 0.000 2.073 536 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 536 R C 1.151 177.436 176.300 -0.026 0.000 1.134 536 R CA 1.119 57.164 56.100 -0.092 0.000 0.952 536 R CB -0.645 29.625 30.300 -0.050 0.000 0.850 536 R HN 0.320 nan 8.270 nan 0.000 0.433 537 S N -0.523 115.201 115.700 0.040 0.000 2.614 537 S HA 0.267 4.737 4.470 -0.000 0.000 0.265 537 S C 0.475 175.227 174.600 0.253 0.000 1.303 537 S CA -0.512 57.800 58.200 0.187 0.000 1.000 537 S CB 2.017 65.443 63.200 0.376 0.000 0.935 537 S HN 0.111 nan 8.310 nan 0.000 0.551 538 T N -0.152 114.610 114.554 0.347 0.000 3.608 538 T HA 0.241 4.591 4.350 -0.000 0.000 0.293 538 T C 1.773 176.679 174.700 0.343 0.000 0.933 538 T CA 0.241 62.597 62.100 0.426 0.000 1.081 538 T CB -0.900 68.103 68.868 0.224 0.000 1.166 538 T HN 0.679 nan 8.240 nan 0.000 0.500 539 G N 1.558 110.493 108.800 0.224 0.000 2.402 539 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 539 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 539 G C 1.462 176.437 174.900 0.125 0.000 1.162 539 G CA 1.137 46.327 45.100 0.149 0.000 0.777 539 G HN 0.431 nan 8.290 nan 0.000 0.539 540 R N -0.791 119.791 120.500 0.135 0.000 2.073 540 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 540 R C 2.236 178.498 176.300 -0.064 0.000 1.134 540 R CA 1.430 57.538 56.100 0.014 0.000 0.952 540 R CB -0.440 29.836 30.300 -0.039 0.000 0.850 540 R HN 0.434 nan 8.270 nan 0.000 0.433 541 Y N 0.342 120.616 120.300 -0.043 0.000 2.373 541 Y HA -0.108 4.442 4.550 -0.000 0.000 0.293 541 Y C 2.010 177.803 175.900 -0.178 0.000 1.129 541 Y CA 0.890 58.870 58.100 -0.200 0.000 1.226 541 Y CB -0.176 37.939 38.460 -0.575 0.000 1.000 541 Y HN 0.143 nan 8.280 nan 0.000 0.549 542 L N -0.920 120.339 121.223 0.060 0.000 2.027 542 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 542 L C 2.060 179.005 176.870 0.126 0.000 1.074 542 L CA 1.242 56.137 54.840 0.092 0.000 0.745 542 L CB -0.540 41.583 42.059 0.108 0.000 0.898 542 L HN -0.018 nan 8.230 nan 0.000 0.433 543 V N -0.160 119.794 119.914 0.067 0.000 2.407 543 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 543 V C 2.470 178.568 176.094 0.006 0.000 1.055 543 V CA 1.838 64.158 62.300 0.035 0.000 1.049 543 V CB -0.572 31.257 31.823 0.010 0.000 0.662 543 V HN 0.494 nan 8.190 nan 0.000 0.455 544 L N -0.770 120.444 121.223 -0.015 0.000 2.083 544 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 544 L C 2.346 179.217 176.870 0.001 0.000 1.083 544 L CA 1.945 56.759 54.840 -0.044 0.000 0.752 544 L CB -0.535 41.460 42.059 -0.107 0.000 0.899 544 L HN 0.481 nan 8.230 nan 0.000 0.433 545 Y N -0.525 119.736 120.300 -0.065 0.000 2.242 545 Y HA -0.226 4.324 4.550 -0.000 0.000 0.291 545 Y C 2.060 177.943 175.900 -0.028 0.000 1.137 545 Y CA 1.745 59.817 58.100 -0.047 0.000 1.181 545 Y CB -0.088 38.346 38.460 -0.045 0.000 0.989 545 Y HN 0.136 nan 8.280 nan 0.000 0.527 546 L N -0.380 120.798 121.223 -0.074 0.000 2.093 546 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 546 L C 2.336 179.119 176.870 -0.145 0.000 1.085 546 L CA 1.258 56.016 54.840 -0.137 0.000 0.755 546 L CB -0.555 41.498 42.059 -0.010 0.000 0.904 546 L HN 0.267 nan 8.230 nan 0.000 0.435 547 I N -0.060 120.449 120.570 -0.101 0.000 2.286 547 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 547 I C 2.391 178.443 176.117 -0.108 0.000 1.115 547 I CA 1.404 62.650 61.300 -0.089 0.000 1.392 547 I CB -0.073 37.884 38.000 -0.071 0.000 1.065 547 I HN 0.135 nan 8.210 nan 0.000 0.418 548 I N -0.439 120.043 120.570 -0.146 0.000 2.226 548 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 548 I C 2.387 178.402 176.117 -0.170 0.000 1.100 548 I CA 1.166 62.377 61.300 -0.148 0.000 1.374 548 I CB -0.272 37.639 38.000 -0.149 0.000 1.057 548 I HN -0.010 nan 8.210 nan 0.000 0.413 549 V N 0.072 119.820 119.914 -0.277 0.000 2.427 549 V HA -0.218 3.901 4.120 -0.000 0.000 0.248 549 V C 2.392 178.423 176.094 -0.104 0.000 1.051 549 V CA 1.384 63.545 62.300 -0.232 0.000 1.048 549 V CB -0.393 31.235 31.823 -0.326 0.000 0.666 549 V HN 0.243 nan 8.190 nan 0.000 0.456 550 V N 1.073 120.935 119.914 -0.086 0.000 2.295 550 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 550 V C 2.619 178.723 176.094 0.017 0.000 1.049 550 V CA 2.284 64.566 62.300 -0.030 0.000 1.024 550 V CB -1.352 30.446 31.823 -0.042 0.000 0.648 550 V HN 0.607 nan 8.190 nan 0.000 0.447 551 G N -1.336 107.466 108.800 0.004 0.000 2.421 551 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 551 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 551 G C 1.569 176.527 174.900 0.097 0.000 1.143 551 G CA 0.648 45.785 45.100 0.060 0.000 0.784 551 G HN 0.304 nan 8.290 nan 0.000 0.541 552 M N 1.172 120.794 119.600 0.037 0.000 2.159 552 M HA 0.022 4.502 4.480 -0.000 0.000 0.263 552 M C 2.725 179.084 176.300 0.098 0.000 1.063 552 M CA 1.541 56.864 55.300 0.039 0.000 1.110 552 M CB -0.545 32.033 32.600 -0.037 0.000 1.374 552 M HN 0.307 nan 8.290 nan 0.000 0.411 553 A N -0.959 121.926 122.820 0.108 0.000 1.855 553 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 553 A C 2.001 179.723 177.584 0.231 0.000 1.191 553 A CA 1.437 53.581 52.037 0.179 0.000 0.613 553 A CB -1.324 17.753 19.000 0.128 0.000 0.829 553 A HN 0.590 nan 8.150 nan 0.000 0.442 554 Y N 0.447 120.793 120.300 0.076 0.000 2.224 554 Y HA -0.104 4.446 4.550 -0.000 0.000 0.289 554 Y C 1.826 177.766 175.900 0.066 0.000 1.146 554 Y CA 1.617 59.749 58.100 0.053 0.000 1.182 554 Y CB -0.222 38.253 38.460 0.025 0.000 0.983 554 Y HN 0.196 nan 8.280 nan 0.000 0.524 555 L N -0.826 120.445 121.223 0.080 0.000 2.549 555 L HA -0.143 4.197 4.340 -0.000 0.000 0.229 555 L C 1.693 178.608 176.870 0.075 0.000 1.158 555 L CA 0.933 55.785 54.840 0.021 0.000 0.842 555 L CB -0.392 41.737 42.059 0.116 0.000 0.952 555 L HN 0.384 nan 8.230 nan 0.000 0.452 556 F N -1.439 118.482 119.950 -0.049 0.000 2.557 556 F HA 0.069 4.596 4.527 -0.000 0.000 0.278 556 F C 1.894 177.669 175.800 -0.042 0.000 1.051 556 F CA 0.465 58.461 58.000 -0.008 0.000 1.357 556 F CB -0.080 38.927 39.000 0.012 0.000 1.104 556 F HN -0.285 nan 8.300 nan 0.000 0.654 557 V N 0.922 120.666 119.914 -0.283 0.000 2.358 557 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 557 V C 2.363 178.264 176.094 -0.320 0.000 1.047 557 V CA 2.023 64.104 62.300 -0.364 0.000 1.035 557 V CB -0.687 31.065 31.823 -0.117 0.000 0.658 557 V HN 0.164 nan 8.190 nan 0.000 0.452 558 R N -0.533 119.764 120.500 -0.339 0.000 2.236 558 R HA 0.137 4.477 4.340 -0.000 0.000 0.208 558 R C 0.809 176.956 176.300 -0.255 0.000 1.036 558 R CA 0.272 56.171 56.100 -0.335 0.000 1.001 558 R CB -0.427 29.524 30.300 -0.581 0.000 0.896 558 R HN 0.424 nan 8.270 nan 0.000 0.464 559 L N 2.945 124.023 121.223 -0.241 0.000 2.477 559 L HA 0.163 4.503 4.340 -0.000 0.000 0.272 559 L C -1.894 174.886 176.870 -0.151 0.000 1.157 559 L CA -1.729 53.014 54.840 -0.162 0.000 0.889 559 L CB 0.572 42.575 42.059 -0.093 0.000 1.158 559 L HN 0.064 nan 8.230 nan 0.000 0.473 560 P HA 0.043 nan 4.420 nan 0.000 0.272 560 P C -1.109 176.167 177.300 -0.041 0.000 1.223 560 P CA -0.396 62.658 63.100 -0.076 0.000 0.784 560 P CB 1.283 32.949 31.700 -0.057 0.000 0.923 561 S N 0.745 116.433 115.700 -0.020 0.000 2.449 561 S HA 0.556 5.026 4.470 -0.000 0.000 0.310 561 S C -0.417 174.218 174.600 0.059 0.000 1.096 561 S CA -0.298 57.922 58.200 0.033 0.000 1.095 561 S CB 0.111 63.328 63.200 0.029 0.000 1.007 561 S HN 0.436 nan 8.310 nan 0.000 0.474 562 S N 3.001 118.759 115.700 0.095 0.000 2.709 562 S HA 0.606 5.076 4.470 -0.000 0.000 0.302 562 S C -0.257 174.452 174.600 0.183 0.000 1.127 562 S CA -0.577 57.693 58.200 0.117 0.000 0.905 562 S CB 1.247 64.499 63.200 0.087 0.000 1.151 562 S HN 0.732 nan 8.310 nan 0.000 0.510 563 F N 0.530 120.487 119.950 0.012 0.000 2.293 563 F HA 0.581 5.108 4.527 -0.000 0.000 0.272 563 F C -0.175 175.603 175.800 -0.037 0.000 1.053 563 F CA 0.445 58.434 58.000 -0.020 0.000 1.152 563 F CB 0.073 39.043 39.000 -0.050 0.000 1.119 563 F HN 0.382 nan 8.300 nan 0.000 0.564 564 L N 1.626 122.840 121.223 -0.015 0.000 2.410 564 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 564 L C -2.494 174.426 176.870 0.084 0.000 0.983 564 L CA -2.062 52.722 54.840 -0.093 0.000 0.822 564 L CB 1.596 43.571 42.059 -0.141 0.000 1.285 564 L HN -0.032 nan 8.230 nan 0.000 0.409 565 P HA 0.141 nan 4.420 nan 0.000 0.267 565 P C -1.343 176.054 177.300 0.162 0.000 1.205 565 P CA -0.212 62.987 63.100 0.165 0.000 0.765 565 P CB 0.370 32.199 31.700 0.216 0.000 0.828 566 D N 2.321 122.794 120.400 0.121 0.000 2.295 566 D HA 0.198 4.838 4.640 -0.000 0.000 0.248 566 D C 0.608 176.979 176.300 0.119 0.000 1.154 566 D CA -0.240 53.828 54.000 0.112 0.000 0.857 566 D CB 0.771 41.621 40.800 0.083 0.000 1.117 566 D HN 0.411 nan 8.370 nan 0.000 0.468 567 E N 1.326 121.611 120.200 0.142 0.000 2.393 567 E HA 0.306 4.656 4.350 -0.000 0.000 0.265 567 E C -0.819 175.872 176.600 0.152 0.000 0.941 567 E CA -0.985 55.511 56.400 0.160 0.000 0.801 567 E CB 1.276 31.107 29.700 0.219 0.000 1.313 567 E HN 0.164 nan 8.360 nan 0.000 0.435 568 D N 0.262 120.788 120.400 0.210 0.000 2.455 568 D HA -0.043 4.597 4.640 -0.000 0.000 0.241 568 D C -0.145 176.375 176.300 0.367 0.000 1.138 568 D CA 0.662 54.829 54.000 0.278 0.000 0.877 568 D CB 0.997 42.045 40.800 0.414 0.000 1.187 568 D HN 0.429 nan 8.370 nan 0.000 0.451 569 Q N 1.466 121.344 119.800 0.130 0.000 2.127 569 Q HA 0.207 4.547 4.340 -0.000 0.000 0.222 569 Q C 1.145 177.053 176.000 -0.152 0.000 0.794 569 Q CA 0.204 55.943 55.803 -0.107 0.000 1.010 569 Q CB 1.018 29.524 28.738 -0.387 0.000 1.170 569 Q HN 0.808 nan 8.270 nan 0.000 0.479 570 G N 0.779 109.364 108.800 -0.359 0.000 2.220 570 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.269 570 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.269 570 G C 0.107 174.842 174.900 -0.276 0.000 0.977 570 G CA 0.644 45.395 45.100 -0.581 0.000 0.634 570 G HN 0.255 nan 8.290 nan 0.000 0.539 571 V N 0.769 120.566 119.914 -0.196 0.000 2.733 571 V HA 0.772 4.892 4.120 -0.000 0.000 0.306 571 V C -0.256 175.776 176.094 -0.104 0.000 1.084 571 V CA -0.317 61.850 62.300 -0.222 0.000 0.905 571 V CB 1.768 33.325 31.823 -0.444 0.000 1.010 571 V HN 0.911 nan 8.190 nan 0.000 0.424 572 F N 3.794 123.614 119.950 -0.215 0.000 2.824 572 F HA 0.951 5.478 4.527 -0.000 0.000 0.330 572 F C -0.722 175.067 175.800 -0.019 0.000 1.175 572 F CA -1.239 56.678 58.000 -0.140 0.000 0.974 572 F CB 2.137 41.068 39.000 -0.115 0.000 1.430 572 F HN 0.545 nan 8.300 nan 0.000 0.507 573 M N 1.071 120.632 119.600 -0.065 0.000 2.622 573 M HA 0.713 5.193 4.480 -0.000 0.000 0.276 573 M C -1.768 174.416 176.300 -0.192 0.000 1.265 573 M CA -0.519 54.745 55.300 -0.059 0.000 0.850 573 M CB 2.273 35.090 32.600 0.362 0.000 1.720 573 M HN 0.883 nan 8.290 nan 0.000 0.465 574 T N 2.199 116.742 114.554 -0.019 0.000 2.952 574 T HA 0.715 5.065 4.350 -0.000 0.000 0.305 574 T C -0.973 173.752 174.700 0.043 0.000 1.064 574 T CA -0.811 61.301 62.100 0.020 0.000 1.008 574 T CB 1.467 70.453 68.868 0.196 0.000 1.078 574 T HN 0.910 nan 8.240 nan 0.000 0.459 575 M N 3.110 122.782 119.600 0.120 0.000 2.578 575 M HA 0.887 5.367 4.480 -0.000 0.000 0.321 575 M C -1.331 174.933 176.300 -0.059 0.000 1.182 575 M CA -0.971 54.381 55.300 0.088 0.000 0.965 575 M CB 1.967 34.714 32.600 0.245 0.000 1.694 575 M HN 0.257 nan 8.290 nan 0.000 0.461 576 V N 1.402 121.252 119.914 -0.105 0.000 2.555 576 V HA 0.581 4.701 4.120 -0.000 0.000 0.302 576 V C -0.845 175.177 176.094 -0.121 0.000 1.038 576 V CA -0.441 61.752 62.300 -0.179 0.000 0.887 576 V CB 1.446 33.148 31.823 -0.200 0.000 0.991 576 V HN 0.912 nan 8.190 nan 0.000 0.434 577 Q N 3.534 123.243 119.800 -0.152 0.000 2.275 577 Q HA 0.536 4.875 4.340 -0.000 0.000 0.266 577 Q C -1.663 174.281 176.000 -0.093 0.000 1.002 577 Q CA -0.263 55.486 55.803 -0.091 0.000 0.761 577 Q CB 1.583 30.287 28.738 -0.056 0.000 1.255 577 Q HN 0.661 nan 8.270 nan 0.000 0.446 578 L N 5.415 126.601 121.223 -0.060 0.000 2.375 578 L HA 0.640 4.980 4.340 -0.000 0.000 0.268 578 L C -1.797 175.058 176.870 -0.024 0.000 1.058 578 L CA -1.720 53.090 54.840 -0.050 0.000 0.803 578 L CB 1.134 43.167 42.059 -0.043 0.000 1.212 578 L HN 0.637 nan 8.230 nan 0.000 0.451 579 P HA 0.022 nan 4.420 nan 0.000 0.285 579 P C -0.804 176.503 177.300 0.012 0.000 1.282 579 P CA -0.488 62.610 63.100 -0.003 0.000 0.778 579 P CB 0.348 32.045 31.700 -0.005 0.000 1.222 580 A N -0.632 122.201 122.820 0.023 0.000 2.515 580 A HA 0.410 4.730 4.320 -0.000 0.000 0.263 580 A C 1.292 178.907 177.584 0.051 0.000 1.096 580 A CA 0.563 52.627 52.037 0.043 0.000 0.769 580 A CB -1.837 17.196 19.000 0.055 0.000 1.040 580 A HN 0.872 nan 8.150 nan 0.000 0.505 581 G N 1.329 110.165 108.800 0.061 0.000 2.246 581 G HA2 0.173 4.133 3.960 -0.000 0.000 0.273 581 G HA3 0.173 4.133 3.960 -0.000 0.000 0.273 581 G C 0.455 175.382 174.900 0.046 0.000 1.055 581 G CA 0.428 45.570 45.100 0.070 0.000 0.851 581 G HN 2.073 nan 8.290 nan 0.000 0.500 582 A N -0.274 122.562 122.820 0.027 0.000 2.332 582 A HA 0.877 5.197 4.320 -0.000 0.000 0.258 582 A C 0.993 178.583 177.584 0.010 0.000 1.087 582 A CA 0.831 52.874 52.037 0.010 0.000 0.802 582 A CB 0.494 19.491 19.000 -0.005 0.000 1.042 582 A HN 1.593 nan 8.150 nan 0.000 0.489 583 T N -1.097 113.457 114.554 -0.001 0.000 2.923 583 T HA 0.358 4.708 4.350 -0.000 0.000 0.281 583 T C 0.930 175.623 174.700 -0.013 0.000 0.995 583 T CA -0.249 61.849 62.100 -0.003 0.000 0.985 583 T CB 1.194 70.055 68.868 -0.011 0.000 1.114 583 T HN 0.665 nan 8.240 nan 0.000 0.548 584 Q N -0.292 119.501 119.800 -0.012 0.000 2.124 584 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 584 Q C 2.037 178.019 176.000 -0.030 0.000 0.977 584 Q CA 1.303 57.097 55.803 -0.016 0.000 0.850 584 Q CB -0.008 28.726 28.738 -0.007 0.000 0.901 584 Q HN 0.807 nan 8.270 nan 0.000 0.429 585 E N 0.087 120.266 120.200 -0.034 0.000 2.208 585 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 585 E C 1.961 178.535 176.600 -0.043 0.000 0.988 585 E CA 0.406 56.782 56.400 -0.041 0.000 0.828 585 E CB 0.149 29.824 29.700 -0.042 0.000 0.763 585 E HN 0.237 nan 8.360 nan 0.000 0.478 586 R N -0.232 120.244 120.500 -0.039 0.000 2.075 586 R HA -0.072 4.268 4.340 -0.000 0.000 0.226 586 R C 2.390 178.657 176.300 -0.055 0.000 1.114 586 R CA 1.621 57.695 56.100 -0.043 0.000 0.972 586 R CB -0.308 29.971 30.300 -0.034 0.000 0.869 586 R HN 0.036 nan 8.270 nan 0.000 0.437 587 T N -0.291 114.229 114.554 -0.056 0.000 2.985 587 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 587 T C 1.670 176.314 174.700 -0.092 0.000 1.076 587 T CA 1.111 63.167 62.100 -0.074 0.000 1.135 587 T CB 0.073 68.904 68.868 -0.063 0.000 0.890 587 T HN 0.148 nan 8.240 nan 0.000 0.480 588 Q N 1.328 121.080 119.800 -0.080 0.000 2.167 588 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 588 Q C 2.214 178.151 176.000 -0.106 0.000 0.970 588 Q CA 1.594 57.341 55.803 -0.093 0.000 0.855 588 Q CB -0.345 28.350 28.738 -0.072 0.000 0.911 588 Q HN 0.488 nan 8.270 nan 0.000 0.438 589 K N -0.696 119.651 120.400 -0.089 0.000 2.057 589 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 589 K C 1.708 178.243 176.600 -0.108 0.000 1.049 589 K CA 1.542 57.778 56.287 -0.085 0.000 0.931 589 K CB 0.041 32.504 32.500 -0.062 0.000 0.714 589 K HN 0.196 nan 8.250 nan 0.000 0.440 590 V N 1.450 121.291 119.914 -0.122 0.000 2.379 590 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 590 V C 2.361 178.327 176.094 -0.213 0.000 1.044 590 V CA 1.221 63.428 62.300 -0.154 0.000 1.036 590 V CB -0.356 31.371 31.823 -0.160 0.000 0.664 590 V HN 0.243 nan 8.190 nan 0.000 0.453 591 L N 0.486 121.583 121.223 -0.210 0.000 2.127 591 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 591 L C 2.474 179.175 176.870 -0.283 0.000 1.089 591 L CA 1.402 56.096 54.840 -0.245 0.000 0.757 591 L CB -0.606 41.333 42.059 -0.200 0.000 0.899 591 L HN 0.379 nan 8.230 nan 0.000 0.434 592 N N -0.287 118.249 118.700 -0.274 0.000 2.142 592 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 592 N C 1.729 176.923 175.510 -0.527 0.000 1.023 592 N CA 1.225 54.031 53.050 -0.407 0.000 0.852 592 N CB -0.024 38.301 38.487 -0.270 0.000 0.998 592 N HN 0.456 nan 8.380 nan 0.000 0.424 593 E N 0.245 120.285 120.200 -0.266 0.000 2.106 593 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 593 E C 1.960 178.522 176.600 -0.064 0.000 0.984 593 E CA 0.542 56.873 56.400 -0.113 0.000 0.806 593 E CB 0.201 29.880 29.700 -0.036 0.000 0.750 593 E HN 0.073 nan 8.360 nan 0.000 0.458 594 V N 1.041 120.831 119.914 -0.206 0.000 2.358 594 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 594 V C 2.243 178.124 176.094 -0.356 0.000 1.047 594 V CA 2.102 64.228 62.300 -0.291 0.000 1.035 594 V CB -0.657 30.816 31.823 -0.583 0.000 0.658 594 V HN 0.330 nan 8.190 nan 0.000 0.452 595 T N -1.197 113.166 114.554 -0.318 0.000 2.833 595 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 595 T C 1.802 176.521 174.700 0.032 0.000 1.054 595 T CA 1.514 63.493 62.100 -0.201 0.000 1.135 595 T CB -0.307 68.422 68.868 -0.231 0.000 0.869 595 T HN 0.513 nan 8.240 nan 0.000 0.466 596 H N -0.514 118.553 119.070 -0.006 0.000 2.415 596 H HA 0.133 4.689 4.556 -0.000 0.000 0.297 596 H C 1.860 177.254 175.328 0.110 0.000 1.048 596 H CA 0.345 56.419 56.048 0.042 0.000 1.365 596 H CB -0.826 28.954 29.762 0.030 0.000 1.421 596 H HN 0.440 nan 8.280 nan 0.000 0.533 597 Y N 0.712 121.102 120.300 0.150 0.000 2.256 597 Y HA -0.307 4.243 4.550 -0.000 0.000 0.288 597 Y C 1.494 177.588 175.900 0.323 0.000 1.155 597 Y CA 1.361 59.559 58.100 0.162 0.000 1.203 597 Y CB -0.203 38.319 38.460 0.103 0.000 0.980 597 Y HN 0.083 nan 8.280 nan 0.000 0.530 598 Y N -1.144 119.272 120.300 0.194 0.000 2.420 598 Y HA 0.021 4.570 4.550 -0.000 0.000 0.292 598 Y C 2.061 177.972 175.900 0.018 0.000 1.119 598 Y CA 0.409 58.569 58.100 0.099 0.000 1.229 598 Y CB -0.621 37.935 38.460 0.160 0.000 1.026 598 Y HN 0.193 nan 8.280 nan 0.000 0.554 599 L N -1.652 119.688 121.223 0.194 0.000 2.416 599 L HA -0.016 4.324 4.340 -0.000 0.000 0.216 599 L C 2.182 179.061 176.870 0.015 0.000 1.098 599 L CA 1.275 56.166 54.840 0.085 0.000 0.840 599 L CB 0.112 42.225 42.059 0.090 0.000 0.981 599 L HN 0.102 nan 8.230 nan 0.000 0.462 600 T N -1.771 112.785 114.554 0.003 0.000 3.058 600 T HA 0.051 4.401 4.350 -0.000 0.000 0.247 600 T C 1.487 176.138 174.700 -0.081 0.000 0.987 600 T CA 0.207 62.282 62.100 -0.040 0.000 1.062 600 T CB 0.323 69.167 68.868 -0.040 0.000 1.048 600 T HN 0.006 nan 8.240 nan 0.000 0.468 601 K N 0.645 120.951 120.400 -0.157 0.000 2.387 601 K HA 0.260 4.580 4.320 -0.000 0.000 0.198 601 K C 0.029 176.438 176.600 -0.319 0.000 1.022 601 K CA 0.233 56.350 56.287 -0.282 0.000 1.128 601 K CB 0.509 32.722 32.500 -0.478 0.000 0.853 601 K HN 0.136 nan 8.250 nan 0.000 0.523 602 E N 0.128 120.214 120.200 -0.189 0.000 4.172 602 E HA 0.110 4.459 4.350 -0.000 0.000 0.197 602 E C -0.036 176.529 176.600 -0.059 0.000 1.088 602 E CA 0.042 56.365 56.400 -0.129 0.000 1.461 602 E CB 0.372 30.000 29.700 -0.120 0.000 1.180 602 E HN -0.042 nan 8.360 nan 0.000 0.419 603 K N -0.321 120.046 120.400 -0.054 0.000 2.057 603 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 603 K C 0.991 177.574 176.600 -0.029 0.000 1.050 603 K CA 1.233 57.500 56.287 -0.033 0.000 0.935 603 K CB 0.082 32.563 32.500 -0.032 0.000 0.715 603 K HN 0.105 nan 8.250 nan 0.000 0.439 604 N N 0.566 119.245 118.700 -0.034 0.000 2.453 604 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 604 N C 0.860 176.353 175.510 -0.029 0.000 1.041 604 N CA 0.973 54.008 53.050 -0.026 0.000 0.900 604 N CB 0.030 38.503 38.487 -0.024 0.000 0.961 604 N HN 0.283 nan 8.380 nan 0.000 0.443 605 N N -1.048 117.629 118.700 -0.038 0.000 2.513 605 N HA 0.112 4.852 4.740 -0.000 0.000 0.196 605 N C -0.524 174.962 175.510 -0.041 0.000 1.041 605 N CA 0.005 53.029 53.050 -0.042 0.000 0.916 605 N CB 0.623 39.079 38.487 -0.052 0.000 1.172 605 N HN -0.147 nan 8.380 nan 0.000 0.444 606 V N 2.248 122.141 119.914 -0.036 0.000 2.508 606 V HA 0.029 4.149 4.120 -0.000 0.000 0.281 606 V C 1.056 177.139 176.094 -0.018 0.000 1.041 606 V CA 0.366 62.649 62.300 -0.028 0.000 1.016 606 V CB 1.336 33.153 31.823 -0.011 0.000 0.984 606 V HN 0.273 nan 8.190 nan 0.000 0.478 607 E N 3.916 124.106 120.200 -0.018 0.000 2.075 607 E HA 0.027 4.376 4.350 -0.000 0.000 0.190 607 E C 0.753 177.361 176.600 0.013 0.000 0.969 607 E CA 1.015 57.416 56.400 0.002 0.000 0.815 607 E CB 0.365 30.069 29.700 0.007 0.000 0.776 607 E HN 0.845 nan 8.360 nan 0.000 0.457 608 S N -0.988 114.720 115.700 0.013 0.000 2.537 608 S HA 0.647 5.116 4.470 -0.000 0.000 0.270 608 S C -0.828 173.764 174.600 -0.015 0.000 1.142 608 S CA -0.728 57.453 58.200 -0.032 0.000 0.870 608 S CB 1.551 64.837 63.200 0.143 0.000 1.112 608 S HN -0.005 nan 8.310 nan 0.000 0.466 609 V N 1.256 121.098 119.914 -0.120 0.000 2.994 609 V HA 0.777 4.897 4.120 -0.000 0.000 0.318 609 V C -1.087 175.066 176.094 0.099 0.000 1.085 609 V CA -0.826 61.484 62.300 0.018 0.000 0.998 609 V CB 1.473 33.313 31.823 0.028 0.000 1.063 609 V HN 0.948 nan 8.190 nan 0.000 0.447 610 F N 1.790 121.752 119.950 0.019 0.000 3.050 610 F HA 0.725 5.252 4.527 -0.000 0.000 0.382 610 F C 0.283 176.021 175.800 -0.104 0.000 1.246 610 F CA -0.445 57.578 58.000 0.037 0.000 1.217 610 F CB 0.466 39.559 39.000 0.154 0.000 1.795 610 F HN 0.685 nan 8.300 nan 0.000 0.622 611 A N 3.317 125.951 122.820 -0.309 0.000 2.401 611 A HA 0.703 5.023 4.320 -0.000 0.000 0.259 611 A C -0.997 176.358 177.584 -0.383 0.000 1.103 611 A CA -0.300 51.557 52.037 -0.300 0.000 0.789 611 A CB 0.704 19.556 19.000 -0.247 0.000 1.035 611 A HN 0.429 nan 8.150 nan 0.000 0.491 612 V N 3.278 123.034 119.914 -0.262 0.000 2.577 612 V HA 0.290 4.410 4.120 -0.000 0.000 0.303 612 V C -0.084 175.972 176.094 -0.064 0.000 1.042 612 V CA -0.709 61.510 62.300 -0.134 0.000 0.872 612 V CB 1.737 33.572 31.823 0.020 0.000 0.998 612 V HN 0.997 nan 8.190 nan 0.000 0.423 613 N N 3.216 121.895 118.700 -0.036 0.000 2.469 613 N HA 0.540 5.280 4.740 -0.000 0.000 0.253 613 N C 0.696 176.226 175.510 0.033 0.000 0.970 613 N CA 0.611 53.647 53.050 -0.022 0.000 0.940 613 N CB 1.034 39.495 38.487 -0.044 0.000 1.128 613 N HN 1.050 nan 8.380 nan 0.000 0.503 614 G N 3.178 112.007 108.800 0.049 0.000 2.175 614 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.182 614 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.182 614 G C -0.497 174.503 174.900 0.167 0.000 1.003 614 G CA -0.396 44.753 45.100 0.081 0.000 0.666 614 G HN 0.577 nan 8.290 nan 0.000 0.506 615 F N 1.483 121.422 119.950 -0.018 0.000 2.828 615 F HA 0.620 5.147 4.527 -0.000 0.000 0.355 615 F C 0.528 176.335 175.800 0.012 0.000 1.200 615 F CA 0.002 57.993 58.000 -0.016 0.000 1.062 615 F CB 0.790 39.772 39.000 -0.031 0.000 1.351 615 F HN 0.256 nan 8.300 nan 0.000 0.504 616 G N 2.964 111.543 108.800 -0.369 0.000 2.606 616 G HA2 0.213 4.173 3.960 -0.000 0.000 0.262 616 G HA3 0.213 4.173 3.960 -0.000 0.000 0.262 616 G C -0.614 173.967 174.900 -0.532 0.000 1.394 616 G CA -0.387 44.512 45.100 -0.334 0.000 1.044 616 G HN 0.586 nan 8.290 nan 0.000 0.553 617 F N -0.355 119.483 119.950 -0.187 0.000 2.706 617 F HA 0.343 4.870 4.527 -0.000 0.000 0.308 617 F C 2.381 178.183 175.800 0.003 0.000 1.095 617 F CA 0.438 58.392 58.000 -0.077 0.000 1.244 617 F CB 0.745 39.777 39.000 0.054 0.000 1.063 617 F HN 0.377 nan 8.300 nan 0.000 0.582 618 A N -0.329 122.584 122.820 0.155 0.000 1.970 618 A HA 0.483 4.803 4.320 -0.000 0.000 0.216 618 A C 1.589 179.221 177.584 0.080 0.000 1.170 618 A CA 1.546 53.654 52.037 0.119 0.000 0.645 618 A CB -0.652 18.407 19.000 0.099 0.000 0.816 618 A HN 0.431 nan 8.150 nan 0.000 0.447 619 G N -1.299 107.525 108.800 0.041 0.000 2.623 619 G HA2 0.462 4.422 3.960 -0.000 0.000 0.085 619 G HA3 0.462 4.422 3.960 -0.000 0.000 0.085 619 G C -1.032 173.908 174.900 0.066 0.000 1.116 619 G CA -0.112 45.021 45.100 0.055 0.000 1.200 619 G HN 0.884 nan 8.290 nan 0.000 0.556 620 R N -1.250 119.306 120.500 0.093 0.000 2.716 620 R HA 0.817 5.157 4.340 -0.000 0.000 0.271 620 R C -0.130 176.221 176.300 0.084 0.000 1.028 620 R CA -0.179 55.997 56.100 0.127 0.000 0.883 620 R CB 1.394 31.814 30.300 0.201 0.000 1.250 620 R HN 2.351 nan 8.270 nan 0.000 0.465 621 G N 0.121 108.969 108.800 0.081 0.000 2.351 621 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.353 621 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.353 621 G C -0.558 174.369 174.900 0.045 0.000 1.358 621 G CA -0.666 44.470 45.100 0.059 0.000 0.995 621 G HN 0.538 nan 8.290 nan 0.000 0.611 622 Q N -0.450 119.372 119.800 0.037 0.000 2.437 622 Q HA -0.022 4.318 4.340 -0.000 0.000 0.210 622 Q C 1.942 177.948 176.000 0.010 0.000 0.972 622 Q CA 1.126 56.943 55.803 0.023 0.000 0.903 622 Q CB 0.001 28.753 28.738 0.024 0.000 0.967 622 Q HN 0.458 nan 8.270 nan 0.000 0.486 623 N N 0.055 118.764 118.700 0.015 0.000 2.424 623 N HA -0.039 4.701 4.740 -0.000 0.000 0.178 623 N C 0.715 176.219 175.510 -0.010 0.000 1.060 623 N CA 0.815 53.867 53.050 0.003 0.000 0.901 623 N CB 0.300 38.796 38.487 0.016 0.000 0.979 623 N HN 0.269 nan 8.380 nan 0.000 0.451 624 T N -2.046 112.506 114.554 -0.002 0.000 2.936 624 T HA 0.788 5.138 4.350 -0.000 0.000 0.282 624 T C 0.390 175.070 174.700 -0.032 0.000 1.003 624 T CA -0.714 61.377 62.100 -0.015 0.000 1.005 624 T CB 2.274 71.140 68.868 -0.004 0.000 1.097 624 T HN 0.115 nan 8.240 nan 0.000 0.532 625 G N -0.419 108.348 108.800 -0.055 0.000 2.519 625 G HA2 0.552 4.512 3.960 -0.000 0.000 0.292 625 G HA3 0.552 4.512 3.960 -0.000 0.000 0.292 625 G C -2.094 172.750 174.900 -0.093 0.000 1.507 625 G CA -0.731 44.323 45.100 -0.076 0.000 0.806 625 G HN 1.015 nan 8.290 nan 0.000 0.523 626 I N -0.272 120.225 120.570 -0.120 0.000 2.918 626 I HA 0.783 4.953 4.170 -0.000 0.000 0.301 626 I C -0.896 175.094 176.117 -0.212 0.000 1.312 626 I CA -0.826 60.393 61.300 -0.134 0.000 1.007 626 I CB 2.301 40.225 38.000 -0.126 0.000 1.281 626 I HN 1.161 nan 8.210 nan 0.000 0.440 627 A N 5.763 128.492 122.820 -0.152 0.000 2.375 627 A HA 0.681 5.001 4.320 -0.000 0.000 0.291 627 A C -1.500 176.131 177.584 0.079 0.000 1.160 627 A CA -0.309 51.661 52.037 -0.112 0.000 0.747 627 A CB 0.280 19.217 19.000 -0.106 0.000 1.170 627 A HN 0.401 nan 8.150 nan 0.000 0.458 628 F N 2.065 122.111 119.950 0.161 0.000 2.467 628 F HA 0.420 4.947 4.527 -0.000 0.000 0.362 628 F C 0.444 176.283 175.800 0.064 0.000 1.090 628 F CA -0.668 57.438 58.000 0.175 0.000 1.202 628 F CB 1.183 40.334 39.000 0.253 0.000 1.113 628 F HN 0.295 nan 8.300 nan 0.000 0.541 629 V N 1.868 121.804 119.914 0.038 0.000 2.513 629 V HA 0.553 4.673 4.120 -0.000 0.000 0.299 629 V C -0.134 175.852 176.094 -0.180 0.000 1.035 629 V CA -0.834 61.333 62.300 -0.222 0.000 0.889 629 V CB 1.640 32.923 31.823 -0.900 0.000 0.988 629 V HN 0.720 nan 8.190 nan 0.000 0.440 630 S N 4.755 120.411 115.700 -0.074 0.000 2.640 630 S HA 0.723 5.193 4.470 -0.000 0.000 0.320 630 S C -0.719 173.844 174.600 -0.062 0.000 1.097 630 S CA -0.515 57.650 58.200 -0.059 0.000 1.092 630 S CB 0.363 63.581 63.200 0.029 0.000 0.988 630 S HN 0.575 nan 8.310 nan 0.000 0.470 631 L N 3.716 124.884 121.223 -0.092 0.000 2.421 631 L HA 0.533 4.873 4.340 -0.000 0.000 0.263 631 L C 0.900 177.691 176.870 -0.133 0.000 1.122 631 L CA -0.901 53.884 54.840 -0.091 0.000 0.804 631 L CB 0.528 42.539 42.059 -0.081 0.000 1.150 631 L HN 0.434 nan 8.230 nan 0.000 0.457 632 K N 1.784 122.122 120.400 -0.104 0.000 2.380 632 K HA 0.013 4.333 4.320 -0.000 0.000 0.267 632 K C -0.464 176.024 176.600 -0.186 0.000 0.990 632 K CA -0.180 56.046 56.287 -0.102 0.000 0.946 632 K CB 0.490 32.958 32.500 -0.054 0.000 0.937 632 K HN 0.717 nan 8.250 nan 0.000 0.491 633 D N 1.403 121.703 120.400 -0.167 0.000 2.419 633 D HA -0.141 4.499 4.640 -0.000 0.000 0.236 633 D C 0.802 177.022 176.300 -0.134 0.000 1.165 633 D CA 0.038 53.892 54.000 -0.243 0.000 0.882 633 D CB 0.306 41.077 40.800 -0.048 0.000 1.201 633 D HN 0.486 nan 8.370 nan 0.000 0.443 634 W N 1.318 122.646 121.300 0.048 0.000 2.364 634 W HA -0.015 4.645 4.660 -0.000 0.000 0.281 634 W C 2.539 179.079 176.519 0.034 0.000 1.219 634 W CA 0.938 58.311 57.345 0.046 0.000 1.220 634 W CB -1.160 28.337 29.460 0.061 0.000 1.127 634 W HN 0.588 nan 8.180 nan 0.000 0.556 635 A N 0.846 123.827 122.820 0.269 0.000 1.930 635 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 635 A C 1.292 178.936 177.584 0.100 0.000 1.175 635 A CA 1.927 54.060 52.037 0.159 0.000 0.627 635 A CB -0.820 18.259 19.000 0.131 0.000 0.815 635 A HN 0.263 nan 8.150 nan 0.000 0.443 636 D N -1.239 119.206 120.400 0.074 0.000 2.340 636 D HA 0.116 4.756 4.640 -0.000 0.000 0.220 636 D C 0.540 176.860 176.300 0.034 0.000 1.039 636 D CA 0.254 54.279 54.000 0.041 0.000 0.866 636 D CB 0.175 40.987 40.800 0.021 0.000 0.913 636 D HN 0.232 nan 8.370 nan 0.000 0.523 637 R N 0.790 121.324 120.500 0.057 0.000 2.477 637 R HA 0.176 4.516 4.340 -0.000 0.000 0.285 637 R C -1.860 174.489 176.300 0.081 0.000 1.415 637 R CA -1.111 55.020 56.100 0.051 0.000 1.446 637 R CB 1.407 31.727 30.300 0.034 0.000 1.110 637 R HN 0.076 nan 8.270 nan 0.000 0.590 638 P HA -0.014 nan 4.420 nan 0.000 0.216 638 P C 0.830 178.162 177.300 0.052 0.000 1.156 638 P CA 0.654 63.790 63.100 0.061 0.000 0.855 638 P CB 0.309 32.035 31.700 0.043 0.000 0.786 639 G N 0.153 108.974 108.800 0.036 0.000 2.634 639 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.255 639 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.255 639 G C 0.794 175.712 174.900 0.029 0.000 1.205 639 G CA -0.262 44.854 45.100 0.027 0.000 0.884 639 G HN 0.073 nan 8.290 nan 0.000 0.549 640 E N -0.337 119.876 120.200 0.021 0.000 2.204 640 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 640 E C 1.869 178.472 176.600 0.006 0.000 0.989 640 E CA 0.720 57.131 56.400 0.018 0.000 0.824 640 E CB 0.194 29.900 29.700 0.011 0.000 0.756 640 E HN 0.504 nan 8.360 nan 0.000 0.477 641 E N 0.393 120.594 120.200 0.001 0.000 2.274 641 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 641 E C 1.162 177.752 176.600 -0.018 0.000 0.996 641 E CA 0.542 56.936 56.400 -0.010 0.000 0.840 641 E CB -0.423 29.272 29.700 -0.009 0.000 0.772 641 E HN 0.228 nan 8.360 nan 0.000 0.491 642 N N 0.754 119.451 118.700 -0.005 0.000 2.449 642 N HA -0.023 4.717 4.740 -0.000 0.000 0.191 642 N C 0.292 175.802 175.510 -0.001 0.000 1.161 642 N CA 0.291 53.337 53.050 -0.007 0.000 0.863 642 N CB 0.304 38.797 38.487 0.010 0.000 0.980 642 N HN 0.015 nan 8.380 nan 0.000 0.458 643 K N 0.505 120.906 120.400 0.001 0.000 2.138 643 K HA 0.212 4.532 4.320 -0.000 0.000 0.263 643 K C 0.985 177.552 176.600 -0.055 0.000 0.965 643 K CA -0.317 55.978 56.287 0.014 0.000 0.868 643 K CB 1.413 33.941 32.500 0.047 0.000 1.083 643 K HN -0.257 nan 8.250 nan 0.000 0.443 644 V N 2.988 122.856 119.914 -0.077 0.000 2.277 644 V HA -0.293 3.827 4.120 -0.000 0.000 0.253 644 V C 2.287 178.259 176.094 -0.203 0.000 1.067 644 V CA 1.958 64.130 62.300 -0.213 0.000 1.047 644 V CB -0.494 31.235 31.823 -0.156 0.000 0.649 644 V HN 0.846 nan 8.190 nan 0.000 0.447 645 E N -0.153 119.993 120.200 -0.089 0.000 2.097 645 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 645 E C 2.216 178.775 176.600 -0.068 0.000 1.000 645 E CA 1.875 58.239 56.400 -0.059 0.000 0.804 645 E CB -0.234 29.456 29.700 -0.015 0.000 0.740 645 E HN 0.616 nan 8.360 nan 0.000 0.454 646 A N -0.090 122.690 122.820 -0.066 0.000 2.081 646 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 646 A C 2.225 179.763 177.584 -0.076 0.000 1.158 646 A CA 0.152 52.157 52.037 -0.053 0.000 0.724 646 A CB -0.195 18.786 19.000 -0.032 0.000 0.826 646 A HN 0.169 nan 8.150 nan 0.000 0.463 647 I N 0.504 120.990 120.570 -0.140 0.000 2.202 647 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 647 I C 2.563 178.559 176.117 -0.201 0.000 1.091 647 I CA 1.816 63.004 61.300 -0.187 0.000 1.368 647 I CB -0.387 37.423 38.000 -0.317 0.000 1.058 647 I HN 0.448 nan 8.210 nan 0.000 0.410 648 T N -1.834 112.543 114.554 -0.294 0.000 3.163 648 T HA 0.001 4.351 4.350 -0.000 0.000 0.260 648 T C 1.685 176.365 174.700 -0.034 0.000 1.156 648 T CA 0.433 62.423 62.100 -0.184 0.000 1.072 648 T CB 0.082 68.819 68.868 -0.219 0.000 0.937 648 T HN 0.090 nan 8.240 nan 0.000 0.528 649 M N 2.175 121.751 119.600 -0.040 0.000 2.257 649 M HA 0.165 4.645 4.480 -0.000 0.000 0.260 649 M C 2.529 178.824 176.300 -0.008 0.000 1.102 649 M CA 1.310 56.604 55.300 -0.010 0.000 1.169 649 M CB -0.455 32.136 32.600 -0.015 0.000 1.323 649 M HN 0.422 nan 8.290 nan 0.000 0.447 650 R N -0.264 120.235 120.500 -0.002 0.000 2.193 650 R HA 0.182 4.522 4.340 -0.000 0.000 0.213 650 R C 1.958 178.208 176.300 -0.083 0.000 1.055 650 R CA 1.117 57.221 56.100 0.006 0.000 0.995 650 R CB -0.752 29.592 30.300 0.073 0.000 0.893 650 R HN 0.220 nan 8.270 nan 0.000 0.459 651 A N 1.891 124.657 122.820 -0.089 0.000 1.855 651 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 651 A C 2.333 179.568 177.584 -0.583 0.000 1.191 651 A CA 1.827 53.614 52.037 -0.418 0.000 0.613 651 A CB -1.144 17.907 19.000 0.085 0.000 0.829 651 A HN 0.518 nan 8.150 nan 0.000 0.442 652 T N -1.630 112.876 114.554 -0.080 0.000 2.788 652 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 652 T C 1.972 176.673 174.700 0.003 0.000 1.044 652 T CA 1.360 63.523 62.100 0.105 0.000 1.139 652 T CB -0.356 68.626 68.868 0.190 0.000 0.867 652 T HN 0.478 nan 8.240 nan 0.000 0.454 653 R N 1.279 121.735 120.500 -0.074 0.000 2.096 653 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 653 R C 2.694 178.916 176.300 -0.130 0.000 1.127 653 R CA 1.357 57.417 56.100 -0.066 0.000 0.968 653 R CB -0.594 29.677 30.300 -0.049 0.000 0.861 653 R HN 0.506 nan 8.270 nan 0.000 0.440 654 A N 0.044 122.669 122.820 -0.325 0.000 1.929 654 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 654 A C 1.747 179.166 177.584 -0.275 0.000 1.176 654 A CA 0.833 52.626 52.037 -0.408 0.000 0.628 654 A CB -0.431 18.063 19.000 -0.843 0.000 0.816 654 A HN 0.300 nan 8.150 nan 0.000 0.444 655 F N 1.320 121.160 119.950 -0.182 0.000 2.325 655 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 655 F C 2.701 178.446 175.800 -0.091 0.000 1.090 655 F CA 0.983 58.897 58.000 -0.144 0.000 1.392 655 F CB -0.701 38.220 39.000 -0.132 0.000 1.053 655 F HN 0.331 nan 8.300 nan 0.000 0.521 656 S N -1.560 114.206 115.700 0.109 0.000 2.562 656 S HA -0.007 4.463 4.470 -0.000 0.000 0.221 656 S C 1.584 176.206 174.600 0.037 0.000 0.975 656 S CA 0.236 58.480 58.200 0.074 0.000 0.918 656 S CB -0.104 63.151 63.200 0.092 0.000 0.772 656 S HN 0.456 nan 8.310 nan 0.000 0.531 657 Q N 0.879 120.689 119.800 0.018 0.000 2.377 657 Q HA 0.349 4.689 4.340 -0.000 0.000 0.193 657 Q C 0.989 176.995 176.000 0.009 0.000 0.986 657 Q CA 0.593 56.400 55.803 0.007 0.000 0.851 657 Q CB -0.014 28.719 28.738 -0.009 0.000 0.986 657 Q HN 0.753 nan 8.270 nan 0.000 0.559 658 I N -0.188 120.387 120.570 0.009 0.000 3.078 658 I HA 0.329 4.499 4.170 -0.000 0.000 0.296 658 I C -0.515 175.615 176.117 0.022 0.000 1.195 658 I CA -0.089 61.221 61.300 0.016 0.000 1.542 658 I CB -0.079 37.932 38.000 0.019 0.000 1.414 658 I HN -0.101 nan 8.210 nan 0.000 0.598 659 K N 1.073 121.481 120.400 0.014 0.000 2.466 659 K HA 0.383 4.702 4.320 -0.000 0.000 0.277 659 K C -0.373 176.218 176.600 -0.014 0.000 1.039 659 K CA -0.441 55.845 56.287 -0.002 0.000 0.904 659 K CB 1.612 34.109 32.500 -0.005 0.000 1.506 659 K HN 0.304 nan 8.250 nan 0.000 0.441 660 D N -1.064 119.317 120.400 -0.030 0.000 2.525 660 D HA 0.225 4.865 4.640 -0.000 0.000 0.231 660 D C 0.166 176.440 176.300 -0.043 0.000 1.216 660 D CA -0.158 53.824 54.000 -0.029 0.000 0.813 660 D CB 0.843 41.628 40.800 -0.025 0.000 1.108 660 D HN 0.337 nan 8.370 nan 0.000 0.524 661 A N 0.640 123.419 122.820 -0.068 0.000 3.791 661 A HA 0.806 5.126 4.320 -0.000 0.000 0.159 661 A C -0.571 176.933 177.584 -0.133 0.000 1.359 661 A CA -0.604 51.377 52.037 -0.093 0.000 0.899 661 A CB 0.890 19.823 19.000 -0.113 0.000 1.642 661 A HN 0.074 nan 8.150 nan 0.000 0.612 662 M N 0.996 120.472 119.600 -0.207 0.000 2.067 662 M HA 0.447 4.927 4.480 -0.000 0.000 0.286 662 M C -1.736 174.233 176.300 -0.552 0.000 0.922 662 M CA -0.151 54.928 55.300 -0.369 0.000 0.937 662 M CB 1.871 34.278 32.600 -0.323 0.000 1.550 662 M HN 0.277 nan 8.290 nan 0.000 0.433 663 V N 3.849 123.409 119.914 -0.590 0.000 2.531 663 V HA 0.615 4.735 4.120 -0.000 0.000 0.301 663 V C -0.738 175.106 176.094 -0.417 0.000 1.034 663 V CA -0.606 61.360 62.300 -0.558 0.000 0.865 663 V CB 1.538 32.981 31.823 -0.633 0.000 0.995 663 V HN 0.610 nan 8.190 nan 0.000 0.424 664 F N 1.644 121.652 119.950 0.096 0.000 2.695 664 F HA 0.981 5.508 4.527 -0.000 0.000 0.392 664 F C 0.508 176.478 175.800 0.283 0.000 1.209 664 F CA -0.977 57.156 58.000 0.222 0.000 1.138 664 F CB 1.146 40.294 39.000 0.248 0.000 1.557 664 F HN 0.644 nan 8.300 nan 0.000 0.496 665 A N 0.306 123.455 122.820 0.549 0.000 2.573 665 A HA 0.661 4.981 4.320 -0.000 0.000 0.299 665 A C -1.973 175.802 177.584 0.318 0.000 1.060 665 A CA -0.624 51.622 52.037 0.349 0.000 0.736 665 A CB 0.452 19.708 19.000 0.425 0.000 1.280 665 A HN 0.826 nan 8.150 nan 0.000 0.401 666 F N 0.755 120.871 119.950 0.276 0.000 2.631 666 F HA 0.646 5.173 4.527 -0.000 0.000 0.308 666 F C -0.117 175.772 175.800 0.147 0.000 1.097 666 F CA -1.197 56.893 58.000 0.150 0.000 0.952 666 F CB 1.221 40.287 39.000 0.110 0.000 1.307 666 F HN 0.597 nan 8.300 nan 0.000 0.450 667 N N 2.732 121.589 118.700 0.262 0.000 2.492 667 N HA 0.154 4.894 4.740 -0.000 0.000 0.262 667 N C -0.704 174.990 175.510 0.307 0.000 1.202 667 N CA -0.353 52.810 53.050 0.188 0.000 0.926 667 N CB 1.386 39.932 38.487 0.099 0.000 1.078 667 N HN 0.800 nan 8.380 nan 0.000 0.454 668 L N 1.809 123.176 121.223 0.240 0.000 2.500 668 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 668 L C -1.834 175.116 176.870 0.133 0.000 1.149 668 L CA -1.643 53.334 54.840 0.230 0.000 0.897 668 L CB -0.231 41.911 42.059 0.139 0.000 1.178 668 L HN 0.324 nan 8.230 nan 0.000 0.473 669 P HA 0.012 nan 4.420 nan 0.000 0.263 669 P C 0.635 177.951 177.300 0.025 0.000 1.345 669 P CA 0.032 63.161 63.100 0.049 0.000 1.119 669 P CB 0.870 32.572 31.700 0.003 0.000 1.363 670 A N 4.164 127.003 122.820 0.031 0.000 1.997 670 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 670 A C 1.427 178.883 177.584 -0.215 0.000 1.172 670 A CA 1.448 53.490 52.037 0.008 0.000 0.645 670 A CB -1.152 17.921 19.000 0.121 0.000 0.813 670 A HN 0.452 nan 8.150 nan 0.000 0.454 671 I N -1.368 119.114 120.570 -0.147 0.000 2.814 671 I HA 0.047 4.217 4.170 -0.000 0.000 0.100 671 I C 0.626 176.662 176.117 -0.135 0.000 0.993 671 I CA 0.671 61.875 61.300 -0.160 0.000 1.297 671 I CB -0.986 37.036 38.000 0.037 0.000 1.126 671 I HN 0.045 nan 8.210 nan 0.000 0.458 672 V N -1.280 118.599 119.914 -0.058 0.000 3.130 672 V HA 0.212 4.332 4.120 -0.000 0.000 0.310 672 V C 0.753 176.821 176.094 -0.043 0.000 1.158 672 V CA -0.602 61.671 62.300 -0.045 0.000 1.029 672 V CB 1.576 33.373 31.823 -0.042 0.000 1.057 672 V HN 0.539 nan 8.190 nan 0.000 0.436 673 E N 1.240 121.420 120.200 -0.033 0.000 2.114 673 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 673 E C 0.669 177.241 176.600 -0.047 0.000 1.008 673 E CA 1.766 58.141 56.400 -0.042 0.000 0.810 673 E CB -0.191 29.499 29.700 -0.017 0.000 0.739 673 E HN 0.598 nan 8.360 nan 0.000 0.456 674 L N -2.874 118.323 121.223 -0.042 0.000 2.421 674 L HA 0.639 4.979 4.340 -0.000 0.000 0.263 674 L C 0.680 177.480 176.870 -0.116 0.000 1.122 674 L CA -0.209 54.597 54.840 -0.056 0.000 0.804 674 L CB 1.441 43.480 42.059 -0.034 0.000 1.150 674 L HN 0.112 nan 8.230 nan 0.000 0.457 675 G N 0.736 109.460 108.800 -0.127 0.000 2.623 675 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.281 675 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.281 675 G C 0.353 175.184 174.900 -0.116 0.000 1.087 675 G CA 0.152 45.136 45.100 -0.193 0.000 1.244 675 G HN 1.270 nan 8.290 nan 0.000 0.544 676 T N -1.698 112.813 114.554 -0.071 0.000 3.051 676 T HA 0.636 4.986 4.350 -0.000 0.000 0.255 676 T C 1.410 176.101 174.700 -0.016 0.000 1.085 676 T CA 1.393 63.468 62.100 -0.041 0.000 1.109 676 T CB 0.299 69.130 68.868 -0.062 0.000 0.921 676 T HN 2.558 nan 8.240 nan 0.000 0.488 677 A N 1.689 124.496 122.820 -0.022 0.000 2.434 677 A HA 0.242 4.562 4.320 -0.000 0.000 0.686 677 A C 0.915 178.492 177.584 -0.011 0.000 0.138 677 A CA 0.818 52.853 52.037 -0.003 0.000 0.027 677 A CB -2.360 16.660 19.000 0.034 0.000 3.972 677 A HN 2.239 nan 8.150 nan 0.000 0.548 678 T N -1.607 112.942 114.554 -0.007 0.000 3.946 678 T HA 0.301 4.651 4.350 -0.000 0.000 0.356 678 T C 1.376 176.066 174.700 -0.016 0.000 0.758 678 T CA 2.166 64.262 62.100 -0.007 0.000 1.911 678 T CB -2.290 66.570 68.868 -0.015 0.000 1.835 678 T HN 3.117 nan 8.240 nan 0.000 0.807 679 G N 0.155 108.952 108.800 -0.005 0.000 2.673 679 G HA2 0.721 4.681 3.960 -0.000 0.000 0.292 679 G HA3 0.721 4.681 3.960 -0.000 0.000 0.292 679 G C -1.025 173.899 174.900 0.041 0.000 1.450 679 G CA -0.570 44.492 45.100 -0.063 0.000 0.837 679 G HN 1.203 nan 8.290 nan 0.000 0.505 680 F N -0.881 119.091 119.950 0.037 0.000 2.650 680 F HA 0.864 5.391 4.527 -0.000 0.000 0.320 680 F C -1.572 174.334 175.800 0.177 0.000 1.091 680 F CA -1.686 56.383 58.000 0.115 0.000 0.962 680 F CB 2.272 41.399 39.000 0.211 0.000 1.363 680 F HN 0.352 nan 8.300 nan 0.000 0.482 681 D N 1.426 122.194 120.400 0.614 0.000 2.440 681 D HA 0.271 4.911 4.640 -0.000 0.000 0.252 681 D C -1.754 174.867 176.300 0.535 0.000 1.180 681 D CA -0.121 54.134 54.000 0.425 0.000 0.894 681 D CB 0.887 41.797 40.800 0.183 0.000 1.111 681 D HN 0.482 nan 8.370 nan 0.000 0.544 682 F N 2.085 122.227 119.950 0.319 0.000 2.377 682 F HA 0.513 5.040 4.527 -0.000 0.000 0.328 682 F C -0.054 175.598 175.800 -0.247 0.000 1.094 682 F CA -0.524 57.365 58.000 -0.185 0.000 1.093 682 F CB 1.342 40.213 39.000 -0.216 0.000 1.214 682 F HN 0.187 nan 8.300 nan 0.000 0.518 683 E N 4.100 123.632 120.200 -1.113 0.000 2.278 683 E HA 0.387 4.737 4.350 -0.000 0.000 0.272 683 E C -2.151 173.920 176.600 -0.881 0.000 0.890 683 E CA -0.831 55.093 56.400 -0.792 0.000 0.770 683 E CB 1.465 30.653 29.700 -0.854 0.000 1.212 683 E HN 0.550 nan 8.360 nan 0.000 0.415 684 L N 6.123 127.093 121.223 -0.422 0.000 2.262 684 L HA 0.565 4.905 4.340 -0.000 0.000 0.288 684 L C -1.471 175.318 176.870 -0.135 0.000 1.035 684 L CA -0.190 54.519 54.840 -0.219 0.000 0.820 684 L CB 0.584 42.648 42.059 0.010 0.000 1.204 684 L HN 0.602 nan 8.230 nan 0.000 0.424 685 I N 3.877 124.372 120.570 -0.124 0.000 2.392 685 I HA 0.235 4.405 4.170 -0.000 0.000 0.295 685 I C -0.277 175.828 176.117 -0.020 0.000 0.985 685 I CA -0.489 60.775 61.300 -0.060 0.000 1.221 685 I CB 1.591 39.553 38.000 -0.063 0.000 1.366 685 I HN 0.626 nan 8.210 nan 0.000 0.467 686 D N 4.443 124.844 120.400 0.002 0.000 2.352 686 D HA 0.093 4.733 4.640 -0.000 0.000 0.245 686 D C 0.544 176.847 176.300 0.004 0.000 1.224 686 D CA 0.050 54.055 54.000 0.009 0.000 0.879 686 D CB 1.088 41.902 40.800 0.023 0.000 1.057 686 D HN 0.374 nan 8.370 nan 0.000 0.491 687 Q N 2.848 122.648 119.800 -0.001 0.000 2.204 687 Q HA 0.281 4.621 4.340 -0.000 0.000 0.198 687 Q C 0.590 176.588 176.000 -0.002 0.000 0.946 687 Q CA 0.577 56.376 55.803 -0.006 0.000 0.859 687 Q CB 0.294 29.023 28.738 -0.014 0.000 0.946 687 Q HN 0.614 nan 8.270 nan 0.000 0.474 688 A N -1.148 121.673 122.820 0.002 0.000 2.710 688 A HA 0.586 4.905 4.320 -0.000 0.000 0.253 688 A C 1.029 178.617 177.584 0.007 0.000 1.658 688 A CA 0.015 52.054 52.037 0.004 0.000 0.851 688 A CB -0.479 18.524 19.000 0.005 0.000 1.658 688 A HN 0.333 nan 8.150 nan 0.000 0.585 689 G N -0.645 108.160 108.800 0.008 0.000 3.383 689 G HA2 0.441 4.401 3.960 -0.000 0.000 0.251 689 G HA3 0.441 4.401 3.960 -0.000 0.000 0.251 689 G C 0.154 175.062 174.900 0.014 0.000 1.203 689 G CA -0.309 44.797 45.100 0.010 0.000 0.852 689 G HN 0.421 nan 8.290 nan 0.000 0.531 690 L N 0.637 121.869 121.223 0.014 0.000 2.452 690 L HA 0.516 4.855 4.340 -0.000 0.000 0.267 690 L C 1.345 178.230 176.870 0.025 0.000 1.188 690 L CA -0.595 54.254 54.840 0.015 0.000 0.821 690 L CB 0.297 42.361 42.059 0.009 0.000 1.102 690 L HN 0.085 nan 8.230 nan 0.000 0.470 691 G N -1.209 107.608 108.800 0.028 0.000 2.588 691 G HA2 0.099 4.059 3.960 -0.000 0.000 0.281 691 G HA3 0.099 4.059 3.960 -0.000 0.000 0.281 691 G C 0.516 175.455 174.900 0.066 0.000 1.236 691 G CA -0.151 44.980 45.100 0.052 0.000 0.969 691 G HN 0.895 nan 8.290 nan 0.000 0.504 692 H N -0.854 118.223 119.070 0.013 0.000 2.423 692 H HA -0.062 4.494 4.556 -0.000 0.000 0.297 692 H C 2.203 177.537 175.328 0.010 0.000 1.075 692 H CA 2.289 58.344 56.048 0.012 0.000 1.342 692 H CB 0.119 29.890 29.762 0.015 0.000 1.395 692 H HN 0.625 nan 8.280 nan 0.000 0.530 693 E N 0.557 120.637 120.200 -0.201 0.000 2.150 693 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 693 E C 2.031 178.539 176.600 -0.153 0.000 0.985 693 E CA 1.117 57.383 56.400 -0.223 0.000 0.814 693 E CB 0.028 29.692 29.700 -0.061 0.000 0.752 693 E HN 0.465 nan 8.360 nan 0.000 0.466 694 K N 0.485 120.835 120.400 -0.085 0.000 2.103 694 K HA -0.004 4.316 4.320 -0.000 0.000 0.204 694 K C 2.140 178.704 176.600 -0.059 0.000 1.052 694 K CA 0.535 56.791 56.287 -0.053 0.000 0.945 694 K CB -0.048 32.440 32.500 -0.021 0.000 0.722 694 K HN 0.093 nan 8.250 nan 0.000 0.443 695 L N 0.891 122.073 121.223 -0.068 0.000 2.093 695 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 695 L C 2.049 178.873 176.870 -0.078 0.000 1.085 695 L CA 1.321 56.132 54.840 -0.048 0.000 0.755 695 L CB -0.295 41.759 42.059 -0.009 0.000 0.904 695 L HN 0.176 nan 8.230 nan 0.000 0.435 696 T N -0.922 113.530 114.554 -0.171 0.000 2.665 696 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 696 T C 1.750 176.394 174.700 -0.094 0.000 1.035 696 T CA 1.791 63.790 62.100 -0.168 0.000 1.151 696 T CB -0.174 68.518 68.868 -0.294 0.000 0.862 696 T HN 0.269 nan 8.240 nan 0.000 0.438 697 Q N 0.794 120.543 119.800 -0.085 0.000 2.119 697 Q HA 0.120 4.460 4.340 -0.000 0.000 0.201 697 Q C 2.269 178.248 176.000 -0.035 0.000 0.972 697 Q CA 1.597 57.368 55.803 -0.053 0.000 0.847 697 Q CB -0.641 28.070 28.738 -0.045 0.000 0.903 697 Q HN 0.533 nan 8.270 nan 0.000 0.433 698 A N 0.339 123.141 122.820 -0.030 0.000 1.968 698 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 698 A C 2.087 179.668 177.584 -0.006 0.000 1.169 698 A CA 1.414 53.442 52.037 -0.014 0.000 0.638 698 A CB -0.559 18.439 19.000 -0.005 0.000 0.812 698 A HN 0.375 nan 8.150 nan 0.000 0.446 699 R N -0.058 120.438 120.500 -0.007 0.000 2.075 699 R HA -0.142 4.197 4.340 -0.000 0.000 0.232 699 R C 1.694 177.992 176.300 -0.004 0.000 1.126 699 R CA 1.846 57.950 56.100 0.007 0.000 0.963 699 R CB -0.453 29.852 30.300 0.009 0.000 0.858 699 R HN 0.561 nan 8.270 nan 0.000 0.435 700 N N 0.406 119.096 118.700 -0.018 0.000 2.166 700 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 700 N C 1.794 177.294 175.510 -0.017 0.000 1.019 700 N CA 1.338 54.377 53.050 -0.019 0.000 0.856 700 N CB -0.018 38.452 38.487 -0.028 0.000 0.993 700 N HN 0.323 nan 8.380 nan 0.000 0.426 701 Q N 0.059 119.848 119.800 -0.018 0.000 2.119 701 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 701 Q C 2.025 178.012 176.000 -0.022 0.000 0.972 701 Q CA 0.750 56.542 55.803 -0.018 0.000 0.847 701 Q CB 0.037 28.764 28.738 -0.019 0.000 0.903 701 Q HN 0.397 nan 8.270 nan 0.000 0.433 702 L N 0.034 121.241 121.223 -0.027 0.000 2.072 702 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 702 L C 1.952 178.791 176.870 -0.052 0.000 1.079 702 L CA 1.135 55.944 54.840 -0.052 0.000 0.752 702 L CB -0.073 41.952 42.059 -0.056 0.000 0.906 702 L HN 0.221 nan 8.230 nan 0.000 0.436 703 L N -0.500 120.707 121.223 -0.028 0.000 2.201 703 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 703 L C 2.635 179.498 176.870 -0.012 0.000 1.105 703 L CA 0.904 55.733 54.840 -0.018 0.000 0.775 703 L CB -0.687 41.369 42.059 -0.005 0.000 0.913 703 L HN 0.366 nan 8.230 nan 0.000 0.440 704 A N -0.630 122.185 122.820 -0.009 0.000 1.874 704 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 704 A C 2.229 179.822 177.584 0.014 0.000 1.189 704 A CA 0.972 53.009 52.037 -0.000 0.000 0.615 704 A CB -0.248 18.749 19.000 -0.004 0.000 0.830 704 A HN 0.236 nan 8.150 nan 0.000 0.443 705 E N 0.122 120.332 120.200 0.016 0.000 2.110 705 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 705 E C 2.234 178.917 176.600 0.139 0.000 0.988 705 E CA 1.188 57.625 56.400 0.061 0.000 0.804 705 E CB -0.440 29.276 29.700 0.027 0.000 0.745 705 E HN 0.549 nan 8.360 nan 0.000 0.458 706 A N 0.843 123.684 122.820 0.034 0.000 1.968 706 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 706 A C 2.267 179.826 177.584 -0.042 0.000 1.169 706 A CA 1.568 53.583 52.037 -0.037 0.000 0.638 706 A CB -0.192 18.769 19.000 -0.065 0.000 0.812 706 A HN 0.233 nan 8.150 nan 0.000 0.446 707 A N -0.802 122.016 122.820 -0.004 0.000 2.030 707 A HA 0.063 4.382 4.320 -0.000 0.000 0.215 707 A C 2.061 179.657 177.584 0.020 0.000 1.164 707 A CA 1.276 53.311 52.037 -0.004 0.000 0.697 707 A CB -0.241 18.758 19.000 -0.002 0.000 0.827 707 A HN 0.400 nan 8.150 nan 0.000 0.457 708 K N -0.014 120.420 120.400 0.056 0.000 2.025 708 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 708 K C 0.183 176.860 176.600 0.128 0.000 1.049 708 K CA 1.341 57.674 56.287 0.076 0.000 0.933 708 K CB -0.138 32.403 32.500 0.069 0.000 0.714 708 K HN 0.773 nan 8.250 nan 0.000 0.438 709 H N -0.034 119.022 119.070 -0.024 0.000 2.541 709 H HA 0.418 4.974 4.556 -0.000 0.000 0.246 709 H C -2.890 172.425 175.328 -0.022 0.000 1.341 709 H CA -2.716 53.319 56.048 -0.022 0.000 1.469 709 H CB 0.634 30.382 29.762 -0.024 0.000 1.472 709 H HN -0.030 nan 8.280 nan 0.000 0.503 713 L N -0.224 120.972 121.223 -0.045 0.000 2.670 713 L HA 0.838 5.178 4.340 -0.000 0.000 0.251 713 L C 0.563 177.404 176.870 -0.050 0.000 1.548 713 L CA -0.089 54.718 54.840 -0.056 0.000 1.643 713 L CB 1.584 43.618 42.059 -0.041 0.000 2.174 713 L HN 0.279 nan 8.230 nan 0.000 0.585 714 T N -3.027 111.502 114.554 -0.043 0.000 2.762 714 T HA 0.482 4.832 4.350 -0.000 0.000 0.301 714 T C -0.994 173.688 174.700 -0.030 0.000 1.299 714 T CA -0.704 61.385 62.100 -0.018 0.000 1.005 714 T CB 1.374 70.234 68.868 -0.012 0.000 1.377 714 T HN 0.303 nan 8.240 nan 0.000 0.504 715 S N 1.041 116.718 115.700 -0.038 0.000 2.386 715 S HA 0.521 4.991 4.470 -0.000 0.000 0.152 715 S C -0.700 173.844 174.600 -0.095 0.000 1.511 715 S CA -0.626 57.533 58.200 -0.069 0.000 1.246 715 S CB -0.549 62.597 63.200 -0.089 0.000 1.338 715 S HN 1.052 nan 8.310 nan 0.000 0.409 716 V N 2.140 122.023 119.914 -0.052 0.000 2.459 716 V HA 0.858 4.978 4.120 -0.000 0.000 0.295 716 V C -0.320 175.756 176.094 -0.031 0.000 1.029 716 V CA -0.759 61.517 62.300 -0.040 0.000 0.874 716 V CB 1.576 33.415 31.823 0.026 0.000 0.985 716 V HN 0.565 nan 8.190 nan 0.000 0.438 717 R N 3.668 124.148 120.500 -0.033 0.000 2.707 717 R HA 0.618 4.957 4.340 -0.000 0.000 0.272 717 R C -3.040 173.264 176.300 0.007 0.000 1.011 717 R CA -1.834 54.260 56.100 -0.010 0.000 0.893 717 R CB 2.920 33.211 30.300 -0.015 0.000 1.233 717 R HN 0.580 nan 8.270 nan 0.000 0.464 718 P HA 0.087 nan 4.420 nan 0.000 0.273 718 P C 0.140 177.461 177.300 0.035 0.000 1.250 718 P CA -0.190 62.931 63.100 0.034 0.000 0.793 718 P CB 0.901 32.621 31.700 0.034 0.000 1.011 719 N N -0.020 118.705 118.700 0.041 0.000 2.171 719 N HA -0.003 4.737 4.740 -0.000 0.000 0.184 719 N C 0.639 176.181 175.510 0.054 0.000 1.021 719 N CA 1.749 54.825 53.050 0.043 0.000 0.854 719 N CB -0.215 38.299 38.487 0.044 0.000 0.994 719 N HN 0.736 nan 8.380 nan 0.000 0.426 720 G N -0.816 108.017 108.800 0.055 0.000 2.481 720 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.234 720 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.234 720 G C -0.130 174.803 174.900 0.054 0.000 2.038 720 G CA -0.294 44.840 45.100 0.057 0.000 0.899 720 G HN 0.157 nan 8.290 nan 0.000 0.543 721 L N 0.004 121.259 121.223 0.053 0.000 2.590 721 L HA 0.454 4.794 4.340 -0.000 0.000 0.227 721 L C 1.834 178.735 176.870 0.051 0.000 1.099 721 L CA 1.075 55.950 54.840 0.058 0.000 0.872 721 L CB 0.064 42.172 42.059 0.083 0.000 1.088 721 L HN 0.581 nan 8.230 nan 0.000 0.479 722 E N 0.123 120.346 120.200 0.039 0.000 4.361 722 E HA -0.418 3.932 4.350 -0.000 0.000 0.195 722 E C -0.151 176.453 176.600 0.007 0.000 1.320 722 E CA 2.193 58.609 56.400 0.026 0.000 2.239 722 E CB -0.387 29.333 29.700 0.034 0.000 1.897 722 E HN 0.408 nan 8.360 nan 0.000 0.308 723 D N -0.480 119.935 120.400 0.024 0.000 3.667 723 D HA -0.091 4.549 4.640 -0.000 0.000 0.252 723 D C -0.989 175.317 176.300 0.010 0.000 1.035 723 D CA 1.231 55.233 54.000 0.002 0.000 1.062 723 D CB -1.139 39.610 40.800 -0.085 0.000 0.948 723 D HN 0.424 nan 8.370 nan 0.000 0.418 724 T N -0.070 114.544 114.554 0.101 0.000 2.907 724 T HA 0.767 5.117 4.350 -0.000 0.000 0.284 724 T C -2.399 172.488 174.700 0.312 0.000 1.004 724 T CA -1.614 60.594 62.100 0.180 0.000 1.063 724 T CB 2.220 71.176 68.868 0.147 0.000 0.992 724 T HN 0.009 nan 8.240 nan 0.000 0.483 725 P HA 0.167 nan 4.420 nan 0.000 0.268 725 P C -0.914 176.648 177.300 0.437 0.000 1.205 725 P CA -0.226 63.164 63.100 0.483 0.000 0.771 725 P CB 0.497 32.434 31.700 0.395 0.000 0.858 726 Q N 1.335 121.333 119.800 0.330 0.000 2.365 726 Q HA 0.434 4.774 4.340 -0.000 0.000 0.269 726 Q C -0.994 174.966 176.000 -0.067 0.000 1.061 726 Q CA -0.728 55.157 55.803 0.137 0.000 0.816 726 Q CB 1.853 30.634 28.738 0.072 0.000 1.325 726 Q HN 0.365 nan 8.270 nan 0.000 0.446 727 F N 2.962 122.602 119.950 -0.517 0.000 2.404 727 F HA 0.245 4.772 4.527 -0.000 0.000 0.359 727 F C -0.084 175.423 175.800 -0.489 0.000 1.134 727 F CA -0.538 56.942 58.000 -0.866 0.000 1.160 727 F CB 0.327 38.678 39.000 -1.081 0.000 1.186 727 F HN 0.290 nan 8.300 nan 0.000 0.526 728 K N 6.567 126.482 120.400 -0.808 0.000 2.201 728 K HA 0.548 4.868 4.320 -0.000 0.000 0.278 728 K C -1.361 174.802 176.600 -0.729 0.000 1.027 728 K CA -0.174 55.770 56.287 -0.570 0.000 0.909 728 K CB 0.627 32.930 32.500 -0.328 0.000 1.062 728 K HN 0.666 nan 8.250 nan 0.000 0.465 729 I N 3.745 124.034 120.570 -0.468 0.000 2.362 729 I HA 0.217 4.387 4.170 -0.000 0.000 0.289 729 I C -0.882 175.140 176.117 -0.158 0.000 0.994 729 I CA -0.807 60.295 61.300 -0.330 0.000 1.158 729 I CB 1.819 39.683 38.000 -0.227 0.000 1.315 729 I HN 0.652 nan 8.210 nan 0.000 0.451 730 D N 7.193 127.525 120.400 -0.113 0.000 2.317 730 D HA 0.445 5.085 4.640 -0.000 0.000 0.234 730 D C -0.430 175.888 176.300 0.029 0.000 1.112 730 D CA -0.099 53.874 54.000 -0.045 0.000 0.840 730 D CB 1.298 42.068 40.800 -0.049 0.000 1.078 730 D HN 0.292 nan 8.370 nan 0.000 0.486 731 I N 2.087 122.683 120.570 0.044 0.000 2.304 731 I HA 0.109 4.279 4.170 -0.000 0.000 0.291 731 I C 0.162 176.305 176.117 0.044 0.000 1.018 731 I CA -0.620 60.734 61.300 0.090 0.000 1.260 731 I CB 1.023 39.044 38.000 0.036 0.000 1.390 731 I HN 0.257 nan 8.210 nan 0.000 0.475 732 D N 5.913 126.363 120.400 0.082 0.000 2.349 732 D HA 0.001 4.641 4.640 -0.000 0.000 0.266 732 D C 1.103 177.410 176.300 0.012 0.000 1.293 732 D CA 0.228 54.258 54.000 0.049 0.000 0.926 732 D CB 0.883 41.726 40.800 0.073 0.000 1.090 732 D HN 0.389 nan 8.370 nan 0.000 0.502 733 Q N 3.038 122.829 119.800 -0.014 0.000 2.124 733 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 733 Q C 1.612 177.594 176.000 -0.031 0.000 0.977 733 Q CA 1.215 56.994 55.803 -0.039 0.000 0.850 733 Q CB 0.027 28.745 28.738 -0.034 0.000 0.901 733 Q HN 0.770 nan 8.270 nan 0.000 0.429 734 E N 0.403 120.597 120.200 -0.010 0.000 2.106 734 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 734 E C 1.857 178.460 176.600 0.006 0.000 0.984 734 E CA 0.727 57.125 56.400 -0.003 0.000 0.806 734 E CB -0.213 29.489 29.700 0.004 0.000 0.750 734 E HN 0.147 nan 8.360 nan 0.000 0.458 735 K N 0.690 121.105 120.400 0.025 0.000 2.148 735 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 735 K C 2.262 178.890 176.600 0.047 0.000 1.050 735 K CA 0.937 57.256 56.287 0.053 0.000 0.942 735 K CB -0.139 32.419 32.500 0.097 0.000 0.724 735 K HN 0.183 nan 8.250 nan 0.000 0.446 736 A N 2.108 124.921 122.820 -0.011 0.000 1.851 736 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 736 A C 2.027 179.568 177.584 -0.071 0.000 1.195 736 A CA 1.699 53.670 52.037 -0.109 0.000 0.622 736 A CB -0.606 18.253 19.000 -0.236 0.000 0.831 736 A HN 0.445 nan 8.150 nan 0.000 0.444 737 Q N -0.659 119.108 119.800 -0.054 0.000 2.369 737 Q HA 0.102 4.442 4.340 -0.000 0.000 0.206 737 Q C 1.980 177.972 176.000 -0.013 0.000 0.963 737 Q CA 1.103 56.885 55.803 -0.036 0.000 0.894 737 Q CB -0.420 28.298 28.738 -0.033 0.000 0.965 737 Q HN 0.570 nan 8.270 nan 0.000 0.475 738 A N 1.912 124.731 122.820 -0.000 0.000 1.897 738 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 738 A C 2.161 179.758 177.584 0.022 0.000 1.181 738 A CA 0.724 52.768 52.037 0.012 0.000 0.620 738 A CB -0.430 18.582 19.000 0.020 0.000 0.821 738 A HN 0.315 nan 8.150 nan 0.000 0.443 739 L N -1.553 119.690 121.223 0.035 0.000 2.313 739 L HA 0.169 4.509 4.340 -0.000 0.000 0.214 739 L C 1.516 178.406 176.870 0.034 0.000 1.119 739 L CA 0.695 55.565 54.840 0.050 0.000 0.809 739 L CB -0.355 41.764 42.059 0.100 0.000 0.933 739 L HN 0.606 nan 8.230 nan 0.000 0.449 740 G N 1.027 109.833 108.800 0.011 0.000 2.215 740 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.198 740 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.198 740 G C -0.100 174.792 174.900 -0.014 0.000 1.047 740 G CA -0.085 45.015 45.100 -0.001 0.000 0.747 740 G HN 0.146 nan 8.290 nan 0.000 0.495 741 V N -2.071 117.814 119.914 -0.048 0.000 2.513 741 V HA 0.878 4.998 4.120 -0.000 0.000 0.299 741 V C 0.714 176.736 176.094 -0.120 0.000 1.035 741 V CA -0.498 61.749 62.300 -0.088 0.000 0.889 741 V CB 1.724 33.456 31.823 -0.152 0.000 0.988 741 V HN 0.674 nan 8.190 nan 0.000 0.440 742 S N 2.317 117.961 115.700 -0.094 0.000 2.528 742 S HA 0.420 4.890 4.470 -0.000 0.000 0.277 742 S C 1.059 175.583 174.600 -0.127 0.000 1.297 742 S CA -0.486 57.662 58.200 -0.088 0.000 1.052 742 S CB 0.311 63.480 63.200 -0.052 0.000 0.917 742 S HN 0.636 nan 8.310 nan 0.000 0.492 743 I N 4.759 125.254 120.570 -0.124 0.000 2.361 743 I HA -0.159 4.010 4.170 -0.000 0.000 0.251 743 I C 2.120 178.180 176.117 -0.095 0.000 1.133 743 I CA 0.809 62.027 61.300 -0.138 0.000 1.413 743 I CB -0.382 37.554 38.000 -0.107 0.000 1.073 743 I HN 0.536 nan 8.210 nan 0.000 0.424 744 N N 0.901 119.564 118.700 -0.062 0.000 2.069 744 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 744 N C 1.559 177.052 175.510 -0.028 0.000 1.031 744 N CA 1.525 54.555 53.050 -0.033 0.000 0.852 744 N CB -0.428 38.047 38.487 -0.020 0.000 1.018 744 N HN 0.368 nan 8.380 nan 0.000 0.423 745 D N 0.411 120.787 120.400 -0.039 0.000 2.117 745 D HA -0.074 4.566 4.640 -0.000 0.000 0.197 745 D C 2.048 178.333 176.300 -0.025 0.000 0.987 745 D CA 0.734 54.721 54.000 -0.022 0.000 0.829 745 D CB -0.102 40.685 40.800 -0.022 0.000 0.961 745 D HN 0.306 nan 8.370 nan 0.000 0.460 746 I N 1.394 121.906 120.570 -0.096 0.000 2.252 746 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 746 I C 2.105 178.223 176.117 0.001 0.000 1.102 746 I CA 0.724 61.949 61.300 -0.125 0.000 1.385 746 I CB -0.264 37.515 38.000 -0.370 0.000 1.064 746 I HN -0.088 nan 8.210 nan 0.000 0.414 747 N N 0.040 118.731 118.700 -0.014 0.000 2.142 747 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 747 N C 2.002 177.536 175.510 0.041 0.000 1.023 747 N CA 1.971 55.032 53.050 0.019 0.000 0.852 747 N CB -0.479 38.009 38.487 0.001 0.000 0.998 747 N HN 0.316 nan 8.380 nan 0.000 0.424 748 T N -0.237 114.339 114.554 0.038 0.000 3.088 748 T HA 0.026 4.376 4.350 -0.000 0.000 0.259 748 T C 1.544 176.273 174.700 0.049 0.000 1.122 748 T CA 0.998 63.126 62.100 0.046 0.000 1.095 748 T CB -0.100 68.794 68.868 0.043 0.000 0.930 748 T HN 0.146 nan 8.240 nan 0.000 0.508 749 T N 1.782 116.380 114.554 0.072 0.000 2.809 749 T HA 0.081 4.431 4.350 -0.000 0.000 0.260 749 T C 1.698 176.421 174.700 0.040 0.000 1.039 749 T CA 1.079 63.232 62.100 0.089 0.000 1.141 749 T CB -0.324 68.660 68.868 0.194 0.000 0.869 749 T HN 0.248 nan 8.240 nan 0.000 0.437 750 L N 1.140 122.448 121.223 0.140 0.000 2.109 750 L HA 0.249 4.589 4.340 -0.000 0.000 0.207 750 L C 2.461 179.366 176.870 0.059 0.000 1.086 750 L CA 1.539 56.424 54.840 0.075 0.000 0.760 750 L CB -0.890 41.218 42.059 0.082 0.000 0.910 750 L HN 0.287 nan 8.230 nan 0.000 0.437 751 G N -1.073 107.752 108.800 0.042 0.000 2.394 751 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.214 751 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.214 751 G C 1.532 176.464 174.900 0.054 0.000 1.176 751 G CA 0.572 45.695 45.100 0.039 0.000 0.786 751 G HN 0.543 nan 8.290 nan 0.000 0.533 752 A N 0.581 123.421 122.820 0.034 0.000 2.067 752 A HA 0.517 4.837 4.320 -0.000 0.000 0.217 752 A C 2.590 180.161 177.584 -0.021 0.000 1.156 752 A CA 1.776 53.832 52.037 0.031 0.000 0.683 752 A CB -0.312 18.707 19.000 0.031 0.000 0.808 752 A HN 0.614 nan 8.150 nan 0.000 0.455 753 A N -1.738 121.000 122.820 -0.135 0.000 1.943 753 A HA 0.115 4.435 4.320 -0.000 0.000 0.213 753 A C 1.765 179.180 177.584 -0.282 0.000 1.181 753 A CA 0.985 52.791 52.037 -0.384 0.000 0.653 753 A CB -0.508 17.766 19.000 -1.211 0.000 0.833 753 A HN 0.669 nan 8.150 nan 0.000 0.451 754 W N -1.196 119.987 121.300 -0.195 0.000 2.808 754 W HA 0.322 4.982 4.660 -0.000 0.000 0.266 754 W C 2.225 178.722 176.519 -0.036 0.000 1.247 754 W CA 0.633 57.919 57.345 -0.098 0.000 1.440 754 W CB -0.056 29.319 29.460 -0.142 0.000 1.040 754 W HN 0.316 nan 8.180 nan 0.000 0.606 755 G N -0.781 108.119 108.800 0.167 0.000 2.720 755 G HA2 0.462 4.422 3.960 -0.000 0.000 0.204 755 G HA3 0.462 4.422 3.960 -0.000 0.000 0.204 755 G C 0.527 175.482 174.900 0.093 0.000 1.113 755 G CA 0.546 45.709 45.100 0.105 0.000 0.805 755 G HN 0.372 nan 8.290 nan 0.000 0.536 756 G N -1.346 107.515 108.800 0.102 0.000 2.484 756 G HA2 0.371 4.331 3.960 -0.000 0.000 0.685 756 G HA3 0.371 4.331 3.960 -0.000 0.000 0.685 756 G C -0.893 174.121 174.900 0.190 0.000 1.294 756 G CA 0.118 45.297 45.100 0.132 0.000 0.879 756 G HN 0.986 nan 8.290 nan 0.000 0.646 757 S N -0.619 115.235 115.700 0.256 0.000 2.614 757 S HA 0.582 5.052 4.470 -0.000 0.000 0.288 757 S C -0.816 173.943 174.600 0.265 0.000 1.137 757 S CA -0.499 57.848 58.200 0.244 0.000 0.992 757 S CB 1.146 64.428 63.200 0.136 0.000 1.026 757 S HN 1.368 nan 8.310 nan 0.000 0.486 758 Y N 6.176 126.541 120.300 0.108 0.000 2.620 758 Y HA 0.253 4.802 4.550 -0.000 0.000 0.352 758 Y C 1.002 176.842 175.900 -0.100 0.000 1.140 758 Y CA 0.259 58.276 58.100 -0.138 0.000 1.529 758 Y CB -0.137 38.281 38.460 -0.069 0.000 1.321 758 Y HN 0.523 nan 8.280 nan 0.000 0.501 759 V N 4.195 123.929 119.914 -0.300 0.000 2.249 759 V HA -0.079 4.041 4.120 -0.000 0.000 0.239 759 V C 0.615 176.590 176.094 -0.200 0.000 1.038 759 V CA 1.339 63.540 62.300 -0.165 0.000 1.005 759 V CB -0.568 31.180 31.823 -0.125 0.000 0.646 759 V HN 0.703 nan 8.190 nan 0.000 0.455 760 N N -1.997 116.499 118.700 -0.340 0.000 3.243 760 N HA 0.299 5.039 4.740 -0.000 0.000 0.280 760 N C -2.090 173.259 175.510 -0.267 0.000 1.545 760 N CA -0.635 52.288 53.050 -0.211 0.000 0.854 760 N CB 1.836 40.292 38.487 -0.051 0.000 1.612 760 N HN 0.123 nan 8.380 nan 0.000 0.577 761 D N 0.274 120.636 120.400 -0.064 0.000 2.248 761 D HA 0.423 5.063 4.640 -0.000 0.000 0.246 761 D C -0.984 175.424 176.300 0.180 0.000 1.027 761 D CA -0.044 53.971 54.000 0.025 0.000 0.853 761 D CB 1.385 42.204 40.800 0.033 0.000 1.243 761 D HN 0.414 nan 8.370 nan 0.000 0.462 762 F N -0.244 119.703 119.950 -0.005 0.000 2.631 762 F HA 0.691 5.218 4.527 -0.000 0.000 0.328 762 F C -1.312 174.513 175.800 0.043 0.000 1.067 762 F CA -1.158 56.882 58.000 0.067 0.000 0.969 762 F CB 0.900 40.011 39.000 0.185 0.000 1.332 762 F HN 0.052 nan 8.300 nan 0.000 0.490 763 I N 1.869 122.294 120.570 -0.243 0.000 2.336 763 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 763 I C -1.248 174.623 176.117 -0.410 0.000 0.991 763 I CA 0.074 61.170 61.300 -0.339 0.000 1.227 763 I CB 1.466 39.408 38.000 -0.096 0.000 1.366 763 I HN 0.649 nan 8.210 nan 0.000 0.466 764 D N 5.716 125.842 120.400 -0.457 0.000 2.542 764 D HA 0.416 5.056 4.640 -0.000 0.000 0.252 764 D C -0.299 175.956 176.300 -0.075 0.000 1.222 764 D CA -0.459 53.417 54.000 -0.207 0.000 0.895 764 D CB 0.658 41.321 40.800 -0.228 0.000 1.207 764 D HN 0.403 nan 8.370 nan 0.000 0.558 765 R N 3.161 123.658 120.500 -0.005 0.000 3.416 765 R HA -0.221 4.119 4.340 -0.000 0.000 0.263 765 R C 1.029 177.327 176.300 -0.004 0.000 1.053 765 R CA 0.787 56.897 56.100 0.017 0.000 0.705 765 R CB -1.647 28.683 30.300 0.050 0.000 1.124 765 R HN 0.943 nan 8.270 nan 0.000 0.444 766 G N -0.437 108.347 108.800 -0.026 0.000 3.079 766 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.214 766 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.214 766 G C 0.240 175.106 174.900 -0.057 0.000 1.335 766 G CA 0.240 45.320 45.100 -0.032 0.000 0.822 766 G HN 0.379 nan 8.290 nan 0.000 0.545 767 R N 0.749 121.212 120.500 -0.063 0.000 2.491 767 R HA 0.445 4.785 4.340 -0.000 0.000 0.283 767 R C 0.220 176.431 176.300 -0.147 0.000 1.072 767 R CA 0.200 56.253 56.100 -0.079 0.000 1.048 767 R CB 1.445 31.713 30.300 -0.053 0.000 0.983 767 R HN 0.351 nan 8.270 nan 0.000 0.450 768 V N 4.536 124.372 119.914 -0.129 0.000 2.488 768 V HA 0.166 4.286 4.120 -0.000 0.000 0.277 768 V C -0.310 175.680 176.094 -0.174 0.000 1.046 768 V CA 0.413 62.610 62.300 -0.171 0.000 0.986 768 V CB 0.705 32.476 31.823 -0.087 0.000 0.989 768 V HN 0.701 nan 8.190 nan 0.000 0.475 769 K N 4.921 125.130 120.400 -0.317 0.000 2.331 769 K HA 0.630 4.949 4.320 -0.000 0.000 0.238 769 K C -0.917 175.688 176.600 0.009 0.000 1.058 769 K CA -1.029 55.162 56.287 -0.160 0.000 0.871 769 K CB 1.723 34.117 32.500 -0.178 0.000 1.292 769 K HN 0.691 nan 8.250 nan 0.000 0.470 770 K N 0.182 120.653 120.400 0.120 0.000 2.118 770 K HA 0.492 4.812 4.320 -0.000 0.000 0.254 770 K C -0.773 175.784 176.600 -0.073 0.000 0.961 770 K CA -0.889 55.361 56.287 -0.061 0.000 0.876 770 K CB 1.388 33.765 32.500 -0.205 0.000 1.077 770 K HN 0.090 nan 8.250 nan 0.000 0.440 771 V N 2.418 122.104 119.914 -0.379 0.000 2.370 771 V HA 0.263 4.383 4.120 -0.000 0.000 0.283 771 V C -1.224 174.550 176.094 -0.535 0.000 1.023 771 V CA -0.769 61.276 62.300 -0.426 0.000 0.857 771 V CB -0.007 31.631 31.823 -0.309 0.000 0.985 771 V HN 0.583 nan 8.190 nan 0.000 0.443 772 Y N 2.832 122.962 120.300 -0.284 0.000 2.429 772 Y HA 0.694 5.244 4.550 -0.000 0.000 0.342 772 Y C -0.008 175.741 175.900 -0.252 0.000 1.004 772 Y CA -0.769 57.204 58.100 -0.211 0.000 1.075 772 Y CB 2.230 40.603 38.460 -0.146 0.000 1.214 772 Y HN 0.406 nan 8.280 nan 0.000 0.455 773 V N 5.131 125.067 119.914 0.038 0.000 2.540 773 V HA 0.502 4.622 4.120 -0.000 0.000 0.302 773 V C -0.574 175.533 176.094 0.021 0.000 1.035 773 V CA -0.269 62.009 62.300 -0.037 0.000 0.873 773 V CB 1.646 33.459 31.823 -0.018 0.000 0.992 773 V HN 1.034 nan 8.190 nan 0.000 0.428 774 M N 3.163 122.772 119.600 0.014 0.000 2.016 774 M HA 0.519 4.999 4.480 -0.000 0.000 0.400 774 M C -0.801 175.632 176.300 0.223 0.000 2.218 774 M CA 0.413 55.793 55.300 0.133 0.000 1.161 774 M CB 1.893 34.646 32.600 0.255 0.000 2.987 774 M HN 0.786 nan 8.290 nan 0.000 0.752 775 S N 0.030 116.006 115.700 0.461 0.000 2.744 775 S HA 0.200 4.670 4.470 -0.000 0.000 0.284 775 S C -1.654 173.178 174.600 0.387 0.000 0.979 775 S CA -1.020 57.446 58.200 0.442 0.000 0.870 775 S CB 0.649 64.103 63.200 0.424 0.000 1.094 775 S HN 0.475 nan 8.310 nan 0.000 0.458 776 E N 0.949 121.313 120.200 0.273 0.000 2.452 776 E HA 0.293 4.643 4.350 -0.000 0.000 0.261 776 E C 1.633 178.188 176.600 -0.075 0.000 0.987 776 E CA 0.326 56.727 56.400 0.002 0.000 0.926 776 E CB 0.612 30.416 29.700 0.174 0.000 0.934 776 E HN 0.778 nan 8.360 nan 0.000 0.452 777 A N 5.471 128.107 122.820 -0.306 0.000 1.903 777 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 777 A C 1.912 179.351 177.584 -0.242 0.000 1.191 777 A CA 2.206 54.077 52.037 -0.276 0.000 0.638 777 A CB -0.546 18.259 19.000 -0.325 0.000 0.823 777 A HN 0.772 nan 8.150 nan 0.000 0.451 778 K N -1.482 118.731 120.400 -0.313 0.000 2.286 778 K HA -0.201 4.119 4.320 -0.000 0.000 0.203 778 K C 1.135 177.451 176.600 -0.474 0.000 1.045 778 K CA 1.854 57.891 56.287 -0.417 0.000 0.935 778 K CB -0.545 31.626 32.500 -0.548 0.000 0.737 778 K HN 0.617 nan 8.250 nan 0.000 0.460 779 Y N 1.646 121.817 120.300 -0.215 0.000 2.461 779 Y HA 0.147 4.697 4.550 -0.000 0.000 0.277 779 Y C 0.735 176.437 175.900 -0.330 0.000 1.182 779 Y CA -0.304 57.637 58.100 -0.264 0.000 1.276 779 Y CB 0.363 38.618 38.460 -0.342 0.000 1.087 779 Y HN 0.178 nan 8.280 nan 0.000 0.519 780 R N -2.444 117.869 120.500 -0.312 0.000 2.569 780 R HA 0.271 4.611 4.340 -0.000 0.000 0.429 780 R C 0.008 176.165 176.300 -0.237 0.000 0.994 780 R CA -0.003 55.649 56.100 -0.747 0.000 1.089 780 R CB -0.416 29.270 30.300 -1.023 0.000 1.420 780 R HN 0.025 nan 8.270 nan 0.000 0.615 781 M N 0.316 119.861 119.600 -0.092 0.000 2.556 781 M HA 0.352 4.832 4.480 -0.000 0.000 0.264 781 M C 0.365 176.696 176.300 0.053 0.000 1.163 781 M CA 0.687 55.974 55.300 -0.021 0.000 1.186 781 M CB -0.175 32.377 32.600 -0.079 0.000 1.321 781 M HN 0.243 nan 8.290 nan 0.000 0.485 782 L N -0.524 120.737 121.223 0.063 0.000 2.301 782 L HA 0.400 4.740 4.340 -0.000 0.000 0.264 782 L C -1.520 175.347 176.870 -0.005 0.000 1.016 782 L CA -1.859 52.997 54.840 0.028 0.000 0.821 782 L CB 0.720 42.782 42.059 0.005 0.000 1.346 782 L HN -0.143 nan 8.230 nan 0.000 0.429 783 P HA -0.147 nan 4.420 nan 0.000 0.223 783 P C 0.371 177.595 177.300 -0.125 0.000 1.144 783 P CA 1.198 64.004 63.100 -0.490 0.000 0.783 783 P CB 0.276 31.589 31.700 -0.644 0.000 0.771 784 D N -0.109 120.285 120.400 -0.011 0.000 2.317 784 D HA -0.070 4.570 4.640 -0.000 0.000 0.211 784 D C 1.085 177.431 176.300 0.078 0.000 0.966 784 D CA 0.685 54.708 54.000 0.039 0.000 0.876 784 D CB -0.044 40.773 40.800 0.028 0.000 0.927 784 D HN 0.238 nan 8.370 nan 0.000 0.519 785 D N 0.765 121.254 120.400 0.147 0.000 2.363 785 D HA -0.032 4.608 4.640 -0.000 0.000 0.220 785 D C 2.174 178.727 176.300 0.421 0.000 0.994 785 D CA 0.027 54.158 54.000 0.218 0.000 0.890 785 D CB 0.490 41.407 40.800 0.195 0.000 0.906 785 D HN 0.284 nan 8.370 nan 0.000 0.530 786 I N 0.911 121.700 120.570 0.365 0.000 2.315 786 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 786 I C 2.517 178.721 176.117 0.146 0.000 1.117 786 I CA 1.037 62.468 61.300 0.220 0.000 1.404 786 I CB -1.129 36.789 38.000 -0.137 0.000 1.071 786 I HN -0.019 nan 8.210 nan 0.000 0.419 787 G N 0.589 109.444 108.800 0.090 0.000 2.509 787 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 787 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 787 G C 1.210 175.993 174.900 -0.196 0.000 1.124 787 G CA 0.330 45.440 45.100 0.017 0.000 0.776 787 G HN 0.334 nan 8.290 nan 0.000 0.547 788 D N -0.013 120.275 120.400 -0.187 0.000 2.219 788 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 788 D C 0.290 176.174 176.300 -0.694 0.000 0.970 788 D CA 0.367 54.112 54.000 -0.424 0.000 0.851 788 D CB -0.037 40.553 40.800 -0.349 0.000 0.943 788 D HN 0.434 nan 8.370 nan 0.000 0.488 789 W N 0.868 122.033 121.300 -0.225 0.000 2.388 789 W HA 0.233 4.893 4.660 -0.000 0.000 0.308 789 W C -0.349 176.135 176.519 -0.058 0.000 1.263 789 W CA -0.659 56.673 57.345 -0.021 0.000 1.286 789 W CB 0.055 29.679 29.460 0.273 0.000 1.294 789 W HN -0.173 nan 8.180 nan 0.000 0.493 790 Y N 2.327 122.877 120.300 0.418 0.000 2.352 790 Y HA 0.536 5.086 4.550 -0.000 0.000 0.339 790 Y C 0.190 176.255 175.900 0.274 0.000 0.992 790 Y CA -1.461 56.809 58.100 0.284 0.000 1.100 790 Y CB 0.923 39.479 38.460 0.160 0.000 1.192 790 Y HN 0.009 nan 8.280 nan 0.000 0.458 791 V N 3.153 123.291 119.914 0.373 0.000 2.547 791 V HA 0.476 4.596 4.120 -0.000 0.000 0.299 791 V C -0.072 176.138 176.094 0.193 0.000 1.040 791 V CA -1.350 61.103 62.300 0.255 0.000 0.913 791 V CB 1.604 33.535 31.823 0.179 0.000 0.992 791 V HN 0.686 nan 8.190 nan 0.000 0.449 792 R N 2.894 123.479 120.500 0.142 0.000 2.401 792 R HA 0.560 4.900 4.340 -0.000 0.000 0.299 792 R C -0.008 176.334 176.300 0.069 0.000 1.064 792 R CA 0.466 56.626 56.100 0.100 0.000 1.000 792 R CB 0.517 30.867 30.300 0.084 0.000 0.973 792 R HN 0.959 nan 8.270 nan 0.000 0.438 793 A N 3.436 126.293 122.820 0.062 0.000 2.248 793 A HA 0.604 4.924 4.320 -0.000 0.000 0.316 793 A C 0.904 178.504 177.584 0.027 0.000 1.101 793 A CA -0.146 51.916 52.037 0.041 0.000 0.875 793 A CB 0.903 19.932 19.000 0.050 0.000 1.207 793 A HN 0.951 nan 8.150 nan 0.000 0.504 794 A N -0.137 122.693 122.820 0.016 0.000 2.019 794 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 794 A C 0.982 178.574 177.584 0.013 0.000 1.164 794 A CA 1.945 53.989 52.037 0.011 0.000 0.644 794 A CB -0.742 18.260 19.000 0.004 0.000 0.805 794 A HN 0.806 nan 8.150 nan 0.000 0.449 795 D N -1.403 119.007 120.400 0.016 0.000 2.325 795 D HA 0.345 4.985 4.640 -0.000 0.000 0.234 795 D C 0.996 177.305 176.300 0.016 0.000 1.122 795 D CA 0.497 54.505 54.000 0.014 0.000 0.850 795 D CB -0.839 39.969 40.800 0.013 0.000 0.921 795 D HN 0.587 nan 8.370 nan 0.000 0.513 796 G N 0.758 109.570 108.800 0.020 0.000 2.246 796 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.273 796 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.273 796 G C -0.196 174.717 174.900 0.022 0.000 1.055 796 G CA 0.467 45.580 45.100 0.022 0.000 0.851 796 G HN 0.675 nan 8.290 nan 0.000 0.500 797 Q N -2.094 117.722 119.800 0.027 0.000 2.495 797 Q HA 0.845 5.185 4.340 -0.000 0.000 0.287 797 Q C -0.404 175.620 176.000 0.040 0.000 1.078 797 Q CA -1.442 54.374 55.803 0.022 0.000 0.793 797 Q CB 1.098 29.842 28.738 0.010 0.000 1.459 797 Q HN 0.087 nan 8.270 nan 0.000 0.422 798 M N 1.240 120.856 119.600 0.026 0.000 2.250 798 M HA 0.428 4.908 4.480 -0.000 0.000 0.344 798 M C -1.171 175.181 176.300 0.086 0.000 1.150 798 M CA -0.249 55.088 55.300 0.061 0.000 1.147 798 M CB 1.821 34.416 32.600 -0.009 0.000 1.498 798 M HN 0.557 nan 8.290 nan 0.000 0.461 799 V N 5.478 125.505 119.914 0.188 0.000 2.531 799 V HA 0.525 4.645 4.120 -0.000 0.000 0.301 799 V C -2.242 174.025 176.094 0.288 0.000 1.034 799 V CA -1.556 60.869 62.300 0.209 0.000 0.865 799 V CB 1.819 33.789 31.823 0.246 0.000 0.995 799 V HN 0.724 nan 8.190 nan 0.000 0.424 800 P HA 0.196 nan 4.420 nan 0.000 0.272 800 P C 0.578 177.707 177.300 -0.284 0.000 1.230 800 P CA -0.123 63.110 63.100 0.221 0.000 0.788 800 P CB 1.109 32.955 31.700 0.244 0.000 0.949 801 F N 1.200 120.951 119.950 -0.332 0.000 2.113 801 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 801 F C 2.743 178.167 175.800 -0.626 0.000 1.103 801 F CA 2.602 60.248 58.000 -0.591 0.000 1.248 801 F CB -0.834 38.096 39.000 -0.118 0.000 0.999 801 F HN 0.309 nan 8.300 nan 0.000 0.475 802 S N 0.078 115.724 115.700 -0.089 0.000 2.440 802 S HA -0.260 4.210 4.470 -0.000 0.000 0.240 802 S C 2.094 176.616 174.600 -0.130 0.000 1.014 802 S CA 0.861 59.025 58.200 -0.060 0.000 0.980 802 S CB -1.015 62.192 63.200 0.011 0.000 0.775 802 S HN 0.334 nan 8.310 nan 0.000 0.499 803 A N 2.044 124.705 122.820 -0.266 0.000 1.855 803 A HA 0.159 4.479 4.320 -0.000 0.000 0.215 803 A C 1.993 179.509 177.584 -0.113 0.000 1.191 803 A CA 1.379 53.309 52.037 -0.177 0.000 0.613 803 A CB -0.890 18.023 19.000 -0.145 0.000 0.829 803 A HN 0.837 nan 8.150 nan 0.000 0.442 804 F N 0.044 120.003 119.950 0.016 0.000 2.714 804 F HA 0.289 4.816 4.527 -0.000 0.000 0.294 804 F C 1.191 176.998 175.800 0.012 0.000 1.120 804 F CA 0.017 58.012 58.000 -0.008 0.000 1.398 804 F CB -0.560 38.406 39.000 -0.057 0.000 1.120 804 F HN 0.135 nan 8.300 nan 0.000 0.589 805 S N 0.719 116.477 115.700 0.097 0.000 2.645 805 S HA 0.527 4.997 4.470 -0.000 0.000 0.266 805 S C -0.032 174.615 174.600 0.080 0.000 1.258 805 S CA -0.114 58.198 58.200 0.187 0.000 0.990 805 S CB 1.523 64.886 63.200 0.272 0.000 0.967 805 S HN 0.353 nan 8.310 nan 0.000 0.556 806 S N 0.745 116.469 115.700 0.039 0.000 2.677 806 S HA 0.508 4.978 4.470 -0.000 0.000 0.283 806 S C -0.702 173.836 174.600 -0.104 0.000 1.159 806 S CA -0.519 57.672 58.200 -0.015 0.000 1.001 806 S CB 0.893 64.083 63.200 -0.017 0.000 1.032 806 S HN 1.346 nan 8.310 nan 0.000 0.487 807 S N 5.103 120.752 115.700 -0.084 0.000 2.438 807 S HA 0.817 5.287 4.470 -0.000 0.000 0.293 807 S C -0.344 174.148 174.600 -0.179 0.000 1.141 807 S CA -0.757 57.328 58.200 -0.191 0.000 1.080 807 S CB 0.245 63.511 63.200 0.111 0.000 0.978 807 S HN 1.006 nan 8.310 nan 0.000 0.479 808 R N 2.037 122.286 120.500 -0.419 0.000 2.629 808 R HA 0.434 4.774 4.340 -0.000 0.000 0.266 808 R C -2.003 174.115 176.300 -0.305 0.000 1.051 808 R CA -0.948 55.041 56.100 -0.185 0.000 0.895 808 R CB 0.356 30.593 30.300 -0.106 0.000 1.246 808 R HN 0.561 nan 8.270 nan 0.000 0.459 809 W N 1.269 122.501 121.300 -0.114 0.000 2.381 809 W HA 0.487 5.147 4.660 -0.000 0.000 0.329 809 W C 0.291 176.737 176.519 -0.121 0.000 1.157 809 W CA -0.007 57.293 57.345 -0.076 0.000 1.240 809 W CB 1.391 30.839 29.460 -0.020 0.000 1.199 809 W HN 0.578 nan 8.180 nan 0.000 0.579 810 E N 0.612 120.880 120.200 0.113 0.000 2.367 810 E HA 0.283 4.633 4.350 -0.000 0.000 0.273 810 E C -1.706 174.981 176.600 0.144 0.000 0.903 810 E CA -1.046 55.390 56.400 0.060 0.000 0.764 810 E CB 1.589 31.300 29.700 0.018 0.000 1.252 810 E HN 0.241 nan 8.360 nan 0.000 0.446 811 Y N 0.727 121.092 120.300 0.107 0.000 2.404 811 Y HA 0.542 5.092 4.550 -0.000 0.000 0.344 811 Y C 0.488 176.447 175.900 0.099 0.000 0.970 811 Y CA -0.439 57.725 58.100 0.107 0.000 1.180 811 Y CB 1.349 39.860 38.460 0.085 0.000 1.138 811 Y HN 0.583 nan 8.280 nan 0.000 0.510 812 G N 0.961 109.942 108.800 0.301 0.000 2.818 812 G HA2 0.487 4.447 3.960 -0.000 0.000 0.286 812 G HA3 0.487 4.447 3.960 -0.000 0.000 0.286 812 G C -1.295 173.693 174.900 0.146 0.000 1.364 812 G CA -0.911 44.298 45.100 0.183 0.000 0.938 812 G HN 0.420 nan 8.290 nan 0.000 0.490 813 S N -0.670 115.079 115.700 0.081 0.000 2.454 813 S HA 0.585 5.055 4.470 -0.000 0.000 0.306 813 S C -1.660 172.947 174.600 0.013 0.000 1.100 813 S CA -1.479 56.748 58.200 0.046 0.000 1.087 813 S CB 2.016 65.206 63.200 -0.017 0.000 1.019 813 S HN 0.178 nan 8.310 nan 0.000 0.480 814 P HA -0.012 nan 4.420 nan 0.000 0.220 814 P C -0.265 177.043 177.300 0.015 0.000 1.148 814 P CA 0.892 64.012 63.100 0.033 0.000 0.803 814 P CB 0.029 31.756 31.700 0.046 0.000 0.782 815 R N -0.885 119.616 120.500 0.001 0.000 2.584 815 R HA 0.566 4.906 4.340 -0.000 0.000 0.276 815 R C -1.593 174.680 176.300 -0.045 0.000 1.046 815 R CA -0.867 55.228 56.100 -0.008 0.000 0.906 815 R CB 0.888 31.201 30.300 0.021 0.000 1.215 815 R HN -0.156 nan 8.270 nan 0.000 0.449 816 L N 2.625 123.812 121.223 -0.060 0.000 2.318 816 L HA 0.417 4.757 4.340 -0.000 0.000 0.277 816 L C -0.247 176.612 176.870 -0.019 0.000 1.008 816 L CA -0.775 54.010 54.840 -0.091 0.000 0.846 816 L CB 1.702 43.670 42.059 -0.152 0.000 1.220 816 L HN 0.634 nan 8.230 nan 0.000 0.423 817 E N 3.139 123.347 120.200 0.012 0.000 2.383 817 E HA 0.374 4.724 4.350 -0.000 0.000 0.264 817 E C -0.466 176.163 176.600 0.049 0.000 1.050 817 E CA -0.176 56.249 56.400 0.041 0.000 0.896 817 E CB 0.975 30.707 29.700 0.052 0.000 0.982 817 E HN 0.373 nan 8.360 nan 0.000 0.424 818 R N 2.497 123.035 120.500 0.063 0.000 2.500 818 R HA 0.191 4.531 4.340 -0.000 0.000 0.299 818 R C -1.646 174.711 176.300 0.096 0.000 1.038 818 R CA -0.661 55.478 56.100 0.064 0.000 0.903 818 R CB 0.988 31.306 30.300 0.030 0.000 1.177 818 R HN 0.522 nan 8.270 nan 0.000 0.455 819 Y N 3.954 124.235 120.300 -0.032 0.000 2.342 819 Y HA 0.182 4.732 4.550 -0.000 0.000 0.338 819 Y C -0.039 175.838 175.900 -0.039 0.000 0.965 819 Y CA -0.505 57.568 58.100 -0.046 0.000 1.159 819 Y CB 0.849 39.250 38.460 -0.098 0.000 1.157 819 Y HN 0.647 nan 8.280 nan 0.000 0.486 820 N N 4.576 123.082 118.700 -0.323 0.000 2.727 820 N HA -0.188 4.552 4.740 -0.000 0.000 0.251 820 N C 0.798 176.255 175.510 -0.087 0.000 1.040 820 N CA 1.392 54.309 53.050 -0.222 0.000 0.712 820 N CB -1.104 37.254 38.487 -0.215 0.000 0.912 820 N HN 1.263 nan 8.380 nan 0.000 0.545 821 G N -1.485 107.275 108.800 -0.066 0.000 2.168 821 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.263 821 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.263 821 G C -0.030 174.863 174.900 -0.013 0.000 0.977 821 G CA 0.841 45.920 45.100 -0.036 0.000 0.659 821 G HN 0.491 nan 8.290 nan 0.000 0.533 822 L N 0.353 121.577 121.223 0.002 0.000 2.388 822 L HA 0.544 4.884 4.340 -0.000 0.000 0.264 822 L C -2.232 174.659 176.870 0.034 0.000 0.998 822 L CA -2.733 52.117 54.840 0.017 0.000 0.817 822 L CB 2.491 44.559 42.059 0.015 0.000 1.338 822 L HN -0.190 nan 8.230 nan 0.000 0.414 823 P HA 0.047 nan 4.420 nan 0.000 0.264 823 P C -0.692 176.639 177.300 0.052 0.000 1.193 823 P CA 0.307 63.435 63.100 0.047 0.000 0.763 823 P CB 1.470 33.203 31.700 0.056 0.000 0.810 824 S N 2.606 118.341 115.700 0.058 0.000 2.638 824 S HA 0.764 5.234 4.470 -0.000 0.000 0.274 824 S C -1.332 173.290 174.600 0.037 0.000 1.157 824 S CA -0.706 57.514 58.200 0.035 0.000 0.826 824 S CB 0.999 64.219 63.200 0.034 0.000 1.139 824 S HN 0.355 nan 8.310 nan 0.000 0.474 825 M N 2.388 121.989 119.600 0.002 0.000 2.213 825 M HA 0.338 4.818 4.480 -0.000 0.000 0.286 825 M C -0.948 175.339 176.300 -0.022 0.000 1.008 825 M CA -0.308 55.003 55.300 0.017 0.000 0.937 825 M CB 2.045 34.674 32.600 0.049 0.000 1.600 825 M HN 0.729 nan 8.290 nan 0.000 0.450 826 E N 4.518 124.709 120.200 -0.015 0.000 2.289 826 E HA 0.326 4.676 4.350 -0.000 0.000 0.278 826 E C -1.213 175.412 176.600 0.042 0.000 1.032 826 E CA -0.421 55.961 56.400 -0.030 0.000 0.854 826 E CB 0.868 30.552 29.700 -0.025 0.000 1.046 826 E HN 0.508 nan 8.360 nan 0.000 0.409 827 I N 6.197 126.832 120.570 0.108 0.000 2.354 827 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 827 I C -0.327 175.892 176.117 0.170 0.000 1.007 827 I CA -0.677 60.726 61.300 0.173 0.000 1.167 827 I CB 0.807 38.984 38.000 0.295 0.000 1.320 827 I HN 0.631 nan 8.210 nan 0.000 0.458 828 L N 6.252 127.501 121.223 0.044 0.000 2.270 828 L HA 0.587 4.927 4.340 -0.000 0.000 0.286 828 L C 0.609 177.351 176.870 -0.214 0.000 1.059 828 L CA -0.130 54.669 54.840 -0.067 0.000 0.839 828 L CB 1.089 43.107 42.059 -0.069 0.000 1.221 828 L HN 0.728 nan 8.230 nan 0.000 0.431 829 G N 2.667 111.127 108.800 -0.566 0.000 2.563 829 G HA2 0.654 4.614 3.960 -0.000 0.000 0.302 829 G HA3 0.654 4.614 3.960 -0.000 0.000 0.302 829 G C -1.343 172.793 174.900 -1.273 0.000 1.301 829 G CA -0.396 44.213 45.100 -0.818 0.000 0.965 829 G HN 0.438 nan 8.290 nan 0.000 0.480 830 Q N -0.454 118.973 119.800 -0.621 0.000 2.297 830 Q HA 0.674 5.014 4.340 -0.000 0.000 0.268 830 Q C 0.302 176.233 176.000 -0.116 0.000 1.045 830 Q CA -0.717 54.861 55.803 -0.375 0.000 0.861 830 Q CB 2.333 30.943 28.738 -0.214 0.000 1.344 830 Q HN 0.797 nan 8.270 nan 0.000 0.452 831 A N 0.838 123.661 122.820 0.004 0.000 2.327 831 A HA 0.604 4.924 4.320 -0.000 0.000 0.255 831 A C -0.127 177.465 177.584 0.012 0.000 1.099 831 A CA 0.046 52.128 52.037 0.075 0.000 0.801 831 A CB -0.090 18.949 19.000 0.064 0.000 1.062 831 A HN 0.780 nan 8.150 nan 0.000 0.496 832 A N 1.013 123.839 122.820 0.009 0.000 2.507 832 A HA 0.422 4.742 4.320 -0.000 0.000 0.235 832 A C -0.948 176.623 177.584 -0.021 0.000 1.070 832 A CA -0.353 51.676 52.037 -0.014 0.000 0.768 832 A CB -0.427 18.561 19.000 -0.020 0.000 1.011 832 A HN 0.650 nan 8.150 nan 0.000 0.502 833 P HA -0.098 nan 4.420 nan 0.000 0.226 833 P C 1.136 178.421 177.300 -0.026 0.000 1.146 833 P CA 1.848 64.932 63.100 -0.027 0.000 0.773 833 P CB 0.109 31.794 31.700 -0.026 0.000 0.772 834 G N -0.706 108.079 108.800 -0.024 0.000 2.742 834 G HA2 0.050 4.010 3.960 -0.000 0.000 0.204 834 G HA3 0.050 4.010 3.960 -0.000 0.000 0.204 834 G C 0.754 175.638 174.900 -0.027 0.000 1.126 834 G CA -0.026 45.059 45.100 -0.025 0.000 0.829 834 G HN 0.191 nan 8.290 nan 0.000 0.574 835 K N 0.142 120.528 120.400 -0.023 0.000 2.140 835 K HA 0.523 4.843 4.320 -0.000 0.000 0.237 835 K C -0.688 175.900 176.600 -0.020 0.000 1.045 835 K CA 0.008 56.281 56.287 -0.023 0.000 0.896 835 K CB 1.038 33.526 32.500 -0.020 0.000 1.122 835 K HN 0.131 nan 8.250 nan 0.000 0.503 836 S N -0.273 115.415 115.700 -0.020 0.000 2.668 836 S HA 0.183 4.653 4.470 -0.000 0.000 0.277 836 S C 0.150 174.739 174.600 -0.018 0.000 1.170 836 S CA -0.342 57.847 58.200 -0.017 0.000 0.994 836 S CB 0.882 64.066 63.200 -0.027 0.000 1.051 836 S HN 0.760 nan 8.310 nan 0.000 0.484 837 T N 4.408 118.963 114.554 0.001 0.000 9.723 837 T HA -0.363 3.987 4.350 -0.000 0.000 0.319 837 T C 1.779 176.435 174.700 -0.074 0.000 1.568 837 T CA 2.573 64.665 62.100 -0.013 0.000 1.898 837 T CB -1.735 67.112 68.868 -0.035 0.000 2.243 837 T HN 1.263 nan 8.240 nan 0.000 0.682 838 G N 1.481 110.227 108.800 -0.090 0.000 2.545 838 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.222 838 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.222 838 G C 1.313 176.156 174.900 -0.094 0.000 1.126 838 G CA 1.836 46.871 45.100 -0.109 0.000 0.754 838 G HN 0.817 nan 8.290 nan 0.000 0.583 839 E N 0.417 120.578 120.200 -0.066 0.000 2.008 839 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 839 E C 2.980 179.543 176.600 -0.062 0.000 0.986 839 E CA 0.707 57.075 56.400 -0.053 0.000 0.807 839 E CB -0.271 29.407 29.700 -0.038 0.000 0.766 839 E HN 0.379 nan 8.360 nan 0.000 0.450 840 A N 1.057 123.848 122.820 -0.047 0.000 2.019 840 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 840 A C 2.122 179.628 177.584 -0.130 0.000 1.164 840 A CA 1.139 53.153 52.037 -0.039 0.000 0.644 840 A CB -0.436 18.605 19.000 0.068 0.000 0.805 840 A HN 0.167 nan 8.150 nan 0.000 0.449 841 M N -0.528 118.954 119.600 -0.196 0.000 2.099 841 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 841 M C 2.149 178.360 176.300 -0.149 0.000 1.067 841 M CA 2.142 57.220 55.300 -0.370 0.000 1.124 841 M CB -0.217 32.030 32.600 -0.589 0.000 1.353 841 M HN 0.686 nan 8.290 nan 0.000 0.410 842 E N 0.036 120.168 120.200 -0.113 0.000 2.358 842 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 842 E C 1.160 177.735 176.600 -0.042 0.000 1.010 842 E CA 0.939 57.316 56.400 -0.037 0.000 0.856 842 E CB -0.501 29.178 29.700 -0.035 0.000 0.795 842 E HN 0.493 nan 8.360 nan 0.000 0.504 843 L N 0.096 121.277 121.223 -0.070 0.000 2.653 843 L HA 0.288 4.628 4.340 -0.000 0.000 0.232 843 L C 1.553 178.350 176.870 -0.123 0.000 1.169 843 L CA 0.019 54.814 54.840 -0.074 0.000 0.951 843 L CB 0.034 42.053 42.059 -0.068 0.000 1.181 843 L HN 0.281 nan 8.230 nan 0.000 0.460 844 M N -1.836 117.667 119.600 -0.162 0.000 2.379 844 M HA 0.078 4.558 4.480 -0.000 0.000 0.268 844 M C 1.512 177.598 176.300 -0.356 0.000 1.185 844 M CA 0.554 55.667 55.300 -0.312 0.000 1.121 844 M CB 0.659 32.964 32.600 -0.491 0.000 1.608 844 M HN 0.194 nan 8.290 nan 0.000 0.569 845 E N 0.812 120.902 120.200 -0.183 0.000 2.208 845 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 845 E C 1.644 178.100 176.600 -0.240 0.000 0.988 845 E CA 1.190 57.422 56.400 -0.281 0.000 0.828 845 E CB 0.127 29.837 29.700 0.016 0.000 0.763 845 E HN 0.553 nan 8.360 nan 0.000 0.478 846 Q N 0.452 120.179 119.800 -0.122 0.000 2.230 846 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 846 Q C 1.873 177.822 176.000 -0.085 0.000 0.963 846 Q CA 0.934 56.695 55.803 -0.069 0.000 0.866 846 Q CB -0.405 28.317 28.738 -0.027 0.000 0.931 846 Q HN 0.241 nan 8.270 nan 0.000 0.452 847 L N 0.087 121.234 121.223 -0.126 0.000 2.179 847 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 847 L C 2.317 179.102 176.870 -0.142 0.000 1.096 847 L CA 0.801 55.573 54.840 -0.114 0.000 0.779 847 L CB -0.430 41.559 42.059 -0.116 0.000 0.922 847 L HN 0.381 nan 8.230 nan 0.000 0.443 848 A N -0.264 122.418 122.820 -0.230 0.000 1.968 848 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 848 A C 2.456 180.003 177.584 -0.062 0.000 1.169 848 A CA 1.537 53.467 52.037 -0.178 0.000 0.638 848 A CB -0.440 18.348 19.000 -0.353 0.000 0.812 848 A HN 0.482 nan 8.150 nan 0.000 0.446 849 S N -0.523 115.139 115.700 -0.064 0.000 2.461 849 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 849 S C 1.191 175.796 174.600 0.008 0.000 1.005 849 S CA 0.802 59.017 58.200 0.026 0.000 0.942 849 S CB -0.205 63.021 63.200 0.044 0.000 0.776 849 S HN 0.497 nan 8.310 nan 0.000 0.514 850 K N 1.092 121.479 120.400 -0.021 0.000 2.827 850 K HA 0.411 4.731 4.320 -0.000 0.000 0.222 850 K C -0.551 176.037 176.600 -0.020 0.000 1.114 850 K CA -0.111 56.163 56.287 -0.022 0.000 1.206 850 K CB -0.029 32.449 32.500 -0.037 0.000 1.035 850 K HN 0.405 nan 8.250 nan 0.000 0.464 851 L N 0.527 121.747 121.223 -0.006 0.000 2.286 851 L HA 0.475 4.815 4.340 -0.000 0.000 0.265 851 L C -2.057 174.816 176.870 0.006 0.000 1.012 851 L CA -2.428 52.411 54.840 -0.002 0.000 0.818 851 L CB 1.008 43.070 42.059 0.006 0.000 1.337 851 L HN -0.018 nan 8.230 nan 0.000 0.438 852 P HA 0.064 nan 4.420 nan 0.000 0.270 852 P C -0.784 176.523 177.300 0.011 0.000 1.227 852 P CA -0.243 62.860 63.100 0.005 0.000 0.788 852 P CB 0.215 31.915 31.700 0.000 0.000 0.926 853 T N 0.533 115.093 114.554 0.009 0.000 2.930 853 T HA 0.380 4.729 4.350 -0.000 0.000 0.306 853 T C 1.277 175.984 174.700 0.011 0.000 1.045 853 T CA 0.916 63.023 62.100 0.011 0.000 1.134 853 T CB 0.130 69.002 68.868 0.008 0.000 0.961 853 T HN 0.830 nan 8.240 nan 0.000 0.545 854 G N 1.261 110.069 108.800 0.013 0.000 2.157 854 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 854 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 854 G C 0.068 174.975 174.900 0.013 0.000 0.979 854 G CA -0.157 44.949 45.100 0.010 0.000 0.650 854 G HN 0.770 nan 8.290 nan 0.000 0.529 855 V N 1.108 121.035 119.914 0.022 0.000 2.357 855 V HA 0.762 4.882 4.120 -0.000 0.000 0.284 855 V C 0.883 177.009 176.094 0.054 0.000 1.018 855 V CA 0.359 62.677 62.300 0.031 0.000 0.841 855 V CB 1.242 33.084 31.823 0.032 0.000 0.991 855 V HN 0.774 nan 8.190 nan 0.000 0.437 856 G N 4.304 113.125 108.800 0.034 0.000 2.735 856 G HA2 0.787 4.747 3.960 -0.000 0.000 0.301 856 G HA3 0.787 4.747 3.960 -0.000 0.000 0.301 856 G C -1.467 173.452 174.900 0.032 0.000 1.279 856 G CA -0.621 44.496 45.100 0.028 0.000 1.019 856 G HN 0.819 nan 8.290 nan 0.000 0.497 857 Y N -1.651 118.535 120.300 -0.190 0.000 2.571 857 Y HA 0.770 5.320 4.550 -0.000 0.000 0.341 857 Y C -1.754 173.876 175.900 -0.450 0.000 1.076 857 Y CA -1.440 56.406 58.100 -0.424 0.000 1.029 857 Y CB 2.483 40.691 38.460 -0.418 0.000 1.308 857 Y HN 0.545 nan 8.280 nan 0.000 0.461 858 D N 1.060 121.086 120.400 -0.624 0.000 2.717 858 D HA 0.313 4.953 4.640 -0.000 0.000 0.223 858 D C -1.686 174.201 176.300 -0.689 0.000 1.240 858 D CA -0.538 53.153 54.000 -0.515 0.000 0.801 858 D CB 1.784 42.416 40.800 -0.279 0.000 1.556 858 D HN 0.644 nan 8.370 nan 0.000 0.462 870 G N 2.511 111.419 108.800 0.180 0.000 2.796 870 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.571 870 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.571 870 G C 0.012 174.982 174.900 0.116 0.000 1.370 870 G CA 0.363 45.534 45.100 0.119 0.000 0.856 870 G HN 0.971 nan 8.290 nan 0.000 0.538 871 N N -0.149 118.596 118.700 0.076 0.000 2.443 871 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 871 N C 2.067 177.640 175.510 0.106 0.000 1.037 871 N CA 2.161 55.254 53.050 0.070 0.000 0.896 871 N CB -0.109 38.400 38.487 0.037 0.000 0.959 871 N HN 0.774 nan 8.380 nan 0.000 0.442 872 Q N 0.122 120.009 119.800 0.145 0.000 2.047 872 Q HA -0.266 4.074 4.340 -0.000 0.000 0.211 872 Q C 1.935 178.073 176.000 0.230 0.000 1.005 872 Q CA 2.688 58.613 55.803 0.203 0.000 0.866 872 Q CB -0.615 28.301 28.738 0.297 0.000 0.938 872 Q HN 0.483 nan 8.270 nan 0.000 0.414 873 A N 0.390 123.364 122.820 0.257 0.000 1.883 873 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 873 A C -0.296 177.438 177.584 0.250 0.000 1.186 873 A CA 1.556 53.772 52.037 0.298 0.000 0.624 873 A CB -1.836 17.285 19.000 0.201 0.000 0.822 873 A HN 0.481 nan 8.150 nan 0.000 0.444 874 P HA -0.163 nan 4.420 nan 0.000 0.218 874 P C 1.738 179.115 177.300 0.128 0.000 1.152 874 P CA 1.850 65.015 63.100 0.108 0.000 0.857 874 P CB -0.080 31.666 31.700 0.077 0.000 0.787 875 S N -1.324 114.457 115.700 0.135 0.000 2.354 875 S HA -0.043 4.427 4.470 -0.000 0.000 0.200 875 S C 1.810 176.505 174.600 0.158 0.000 1.055 875 S CA 0.691 58.962 58.200 0.120 0.000 1.077 875 S CB -1.199 62.059 63.200 0.097 0.000 0.992 875 S HN -0.009 nan 8.310 nan 0.000 0.423 876 L N 0.038 121.369 121.223 0.180 0.000 2.201 876 L HA -0.328 4.012 4.340 -0.000 0.000 0.233 876 L C 2.346 179.270 176.870 0.091 0.000 1.115 876 L CA 2.232 57.167 54.840 0.158 0.000 0.840 876 L CB -1.152 40.985 42.059 0.131 0.000 0.924 876 L HN 0.438 nan 8.230 nan 0.000 0.450 877 Y N -0.566 119.761 120.300 0.045 0.000 2.333 877 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 877 Y C 2.574 178.483 175.900 0.015 0.000 1.144 877 Y CA 1.116 59.225 58.100 0.014 0.000 1.228 877 Y CB -0.488 37.965 38.460 -0.011 0.000 0.985 877 Y HN 0.196 nan 8.280 nan 0.000 0.542 878 A N 0.115 123.034 122.820 0.166 0.000 1.902 878 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 878 A C 2.096 179.718 177.584 0.064 0.000 1.181 878 A CA 1.805 53.897 52.037 0.092 0.000 0.623 878 A CB -1.003 18.040 19.000 0.071 0.000 0.818 878 A HN 0.466 nan 8.150 nan 0.000 0.443 879 I N -0.033 120.584 120.570 0.079 0.000 2.394 879 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 879 I C 2.369 178.523 176.117 0.061 0.000 1.136 879 I CA 1.278 62.629 61.300 0.084 0.000 1.425 879 I CB -0.253 37.839 38.000 0.154 0.000 1.079 879 I HN 0.132 nan 8.210 nan 0.000 0.425 880 S N 0.865 116.583 115.700 0.029 0.000 2.442 880 S HA -0.028 4.442 4.470 -0.000 0.000 0.236 880 S C 1.896 176.496 174.600 -0.001 0.000 1.007 880 S CA 1.078 59.267 58.200 -0.018 0.000 0.965 880 S CB -0.288 62.846 63.200 -0.110 0.000 0.773 880 S HN 0.401 nan 8.310 nan 0.000 0.504 881 L N 0.200 121.435 121.223 0.020 0.000 2.307 881 L HA 0.143 4.483 4.340 -0.000 0.000 0.211 881 L C 1.871 178.742 176.870 0.002 0.000 1.099 881 L CA 0.659 55.504 54.840 0.007 0.000 0.816 881 L CB -0.471 41.590 42.059 0.004 0.000 0.952 881 L HN 0.283 nan 8.230 nan 0.000 0.455 882 I N -0.879 119.697 120.570 0.009 0.000 2.400 882 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 882 I C 2.298 178.446 176.117 0.051 0.000 1.109 882 I CA 0.604 61.910 61.300 0.009 0.000 1.425 882 I CB -0.267 37.736 38.000 0.006 0.000 1.094 882 I HN -0.056 nan 8.210 nan 0.000 0.425 883 V N 0.265 120.209 119.914 0.049 0.000 2.548 883 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 883 V C 2.463 178.580 176.094 0.038 0.000 1.055 883 V CA 1.059 63.390 62.300 0.051 0.000 1.065 883 V CB -0.470 31.380 31.823 0.046 0.000 0.681 883 V HN 0.235 nan 8.190 nan 0.000 0.462 884 V N -0.428 119.499 119.914 0.020 0.000 2.261 884 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 884 V C 2.198 178.287 176.094 -0.008 0.000 1.047 884 V CA 2.518 64.811 62.300 -0.011 0.000 1.015 884 V CB -0.661 31.139 31.823 -0.037 0.000 0.642 884 V HN 0.532 nan 8.190 nan 0.000 0.446 885 F N -0.165 119.701 119.950 -0.140 0.000 2.161 885 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 885 F C 2.061 177.799 175.800 -0.104 0.000 1.089 885 F CA 1.604 59.484 58.000 -0.200 0.000 1.282 885 F CB -0.079 38.753 39.000 -0.280 0.000 1.010 885 F HN 0.040 nan 8.300 nan 0.000 0.485 886 L N -1.381 119.923 121.223 0.136 0.000 2.005 886 L HA -0.264 4.076 4.340 -0.000 0.000 0.207 886 L C 2.491 179.397 176.870 0.059 0.000 1.072 886 L CA 1.342 56.252 54.840 0.116 0.000 0.744 886 L CB -1.156 40.969 42.059 0.109 0.000 0.895 886 L HN 0.174 nan 8.230 nan 0.000 0.433 887 C N -0.236 119.087 119.300 0.038 0.000 2.448 887 C HA -0.049 4.411 4.460 -0.000 0.000 0.280 887 C C 2.385 177.428 174.990 0.088 0.000 1.398 887 C CA 0.000 59.042 59.018 0.039 0.000 1.774 887 C CB -0.664 27.089 27.740 0.022 0.000 1.888 887 C HN 0.419 nan 8.230 nan 0.000 0.519 888 L N 0.501 121.743 121.223 0.033 0.000 2.612 888 L HA 0.136 4.476 4.340 -0.000 0.000 0.230 888 L C 1.809 178.746 176.870 0.111 0.000 1.140 888 L CA 0.815 55.693 54.840 0.064 0.000 0.896 888 L CB -0.498 41.439 42.059 -0.203 0.000 1.065 888 L HN 0.374 nan 8.230 nan 0.000 0.447 889 A N -1.832 121.035 122.820 0.078 0.000 2.474 889 A HA 0.372 4.692 4.320 -0.000 0.000 0.221 889 A C 1.912 179.539 177.584 0.072 0.000 1.298 889 A CA 0.595 52.706 52.037 0.125 0.000 1.008 889 A CB 0.123 19.258 19.000 0.225 0.000 1.217 889 A HN 0.205 nan 8.150 nan 0.000 0.553 890 A N -0.793 122.044 122.820 0.027 0.000 2.209 890 A HA 0.357 4.677 4.320 -0.000 0.000 0.212 890 A C 1.313 178.811 177.584 -0.143 0.000 1.158 890 A CA 1.182 53.201 52.037 -0.029 0.000 0.742 890 A CB -0.105 18.887 19.000 -0.013 0.000 0.790 890 A HN 0.362 nan 8.150 nan 0.000 0.472 891 L N -2.844 118.200 121.223 -0.298 0.000 3.500 891 L HA 0.256 4.596 4.340 -0.000 0.000 0.320 891 L C -0.888 175.519 176.870 -0.771 0.000 1.205 891 L CA 0.603 55.070 54.840 -0.622 0.000 1.117 891 L CB -0.256 41.241 42.059 -0.937 0.000 1.542 891 L HN 0.484 nan 8.230 nan 0.000 0.622 892 Y N 1.031 121.312 120.300 -0.031 0.000 2.592 892 Y HA 0.332 4.881 4.550 -0.000 0.000 0.354 892 Y C 0.393 176.293 175.900 0.000 0.000 1.063 892 Y CA -1.210 56.871 58.100 -0.030 0.000 1.205 892 Y CB 0.365 38.791 38.460 -0.056 0.000 1.106 892 Y HN 0.129 nan 8.280 nan 0.000 0.649 893 E N 0.272 120.519 120.200 0.079 0.000 2.257 893 E HA 0.462 4.812 4.350 -0.000 0.000 0.278 893 E C 0.317 176.943 176.600 0.044 0.000 1.049 893 E CA 0.357 56.785 56.400 0.046 0.000 0.876 893 E CB 1.216 30.890 29.700 -0.042 0.000 1.035 893 E HN 0.582 nan 8.360 nan 0.000 0.419 894 S N 2.544 118.303 115.700 0.099 0.000 4.419 894 S HA -0.056 4.414 4.470 -0.000 0.000 0.161 894 S C 0.329 175.113 174.600 0.305 0.000 1.008 894 S CA -0.124 58.137 58.200 0.102 0.000 1.336 894 S CB -0.807 62.455 63.200 0.104 0.000 1.536 894 S HN 0.857 nan 8.310 nan 0.000 0.429 895 W N 1.614 122.963 121.300 0.081 0.000 1.999 895 W HA -0.261 4.399 4.660 -0.000 0.000 0.278 895 W C 1.263 177.942 176.519 0.266 0.000 1.109 895 W CA 0.521 58.015 57.345 0.248 0.000 0.482 895 W CB -1.750 27.856 29.460 0.243 0.000 2.145 895 W HN 0.701 nan 8.180 nan 0.000 1.158 896 S N -1.180 114.737 115.700 0.362 0.000 2.931 896 S HA 0.087 4.557 4.470 -0.000 0.000 0.251 896 S C 1.149 175.844 174.600 0.157 0.000 1.078 896 S CA 0.631 58.946 58.200 0.192 0.000 0.835 896 S CB -0.267 62.955 63.200 0.037 0.000 0.798 896 S HN 0.111 nan 8.310 nan 0.000 0.495 897 I N 2.725 123.347 120.570 0.086 0.000 2.252 897 I HA 0.072 4.242 4.170 -0.000 0.000 0.245 897 I C -1.346 174.700 176.117 -0.118 0.000 1.102 897 I CA 0.601 61.882 61.300 -0.032 0.000 1.385 897 I CB -1.130 36.838 38.000 -0.054 0.000 1.064 897 I HN 0.236 nan 8.210 nan 0.000 0.414 898 P HA -0.088 nan 4.420 nan 0.000 0.250 898 P C 0.449 177.339 177.300 -0.682 0.000 1.239 898 P CA 1.436 64.159 63.100 -0.628 0.000 0.756 898 P CB -0.299 30.614 31.700 -1.311 0.000 1.013 899 F N -2.472 117.396 119.950 -0.136 0.000 2.876 899 F HA 0.058 4.585 4.527 -0.000 0.000 0.344 899 F C 2.203 177.966 175.800 -0.062 0.000 1.029 899 F CA 0.240 58.213 58.000 -0.046 0.000 1.154 899 F CB -0.382 38.619 39.000 0.000 0.000 1.040 899 F HN -0.132 nan 8.300 nan 0.000 0.576 900 S N -0.244 115.489 115.700 0.055 0.000 2.357 900 S HA -0.090 4.380 4.470 -0.000 0.000 0.221 900 S C 1.906 176.464 174.600 -0.071 0.000 1.031 900 S CA 1.338 59.531 58.200 -0.013 0.000 0.982 900 S CB -0.925 62.245 63.200 -0.049 0.000 0.853 900 S HN 0.075 nan 8.310 nan 0.000 0.458 901 V N 2.273 122.109 119.914 -0.129 0.000 2.427 901 V HA -0.059 4.061 4.120 -0.000 0.000 0.248 901 V C 2.590 178.625 176.094 -0.099 0.000 1.051 901 V CA 1.598 63.809 62.300 -0.147 0.000 1.048 901 V CB -0.758 30.937 31.823 -0.213 0.000 0.666 901 V HN 0.461 nan 8.190 nan 0.000 0.456 902 M N -0.766 118.782 119.600 -0.087 0.000 2.514 902 M HA -0.158 4.322 4.480 -0.000 0.000 0.259 902 M C 1.828 178.136 176.300 0.014 0.000 1.073 902 M CA 1.544 56.818 55.300 -0.043 0.000 1.049 902 M CB -0.891 31.683 32.600 -0.043 0.000 1.392 902 M HN 0.321 nan 8.290 nan 0.000 0.466 903 L N -0.688 120.539 121.223 0.006 0.000 2.354 903 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 903 L C 2.213 179.124 176.870 0.068 0.000 1.091 903 L CA 0.477 55.342 54.840 0.041 0.000 0.828 903 L CB -0.453 41.537 42.059 -0.115 0.000 0.973 903 L HN 0.188 nan 8.230 nan 0.000 0.461 904 V N -3.598 116.318 119.914 0.003 0.000 3.078 904 V HA -0.118 4.002 4.120 -0.000 0.000 0.265 904 V C 2.342 178.437 176.094 0.001 0.000 1.122 904 V CA 0.704 63.004 62.300 -0.000 0.000 1.141 904 V CB -1.030 30.762 31.823 -0.052 0.000 0.735 904 V HN 0.127 nan 8.190 nan 0.000 0.498 905 V N 1.177 121.091 119.914 0.000 0.000 2.214 905 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 905 V C 0.412 176.496 176.094 -0.017 0.000 1.051 905 V CA 2.783 65.070 62.300 -0.021 0.000 1.003 905 V CB -2.182 29.628 31.823 -0.022 0.000 0.635 905 V HN 0.558 nan 8.190 nan 0.000 0.447 906 P HA 0.063 nan 4.420 nan 0.000 0.245 906 P C 1.611 178.921 177.300 0.016 0.000 1.212 906 P CA 0.469 63.556 63.100 -0.021 0.000 0.774 906 P CB 0.024 31.693 31.700 -0.052 0.000 0.999 907 L N -0.338 120.927 121.223 0.070 0.000 2.046 907 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 907 L C 2.390 179.286 176.870 0.042 0.000 1.077 907 L CA 2.345 57.237 54.840 0.086 0.000 0.747 907 L CB -1.266 40.853 42.059 0.100 0.000 0.896 907 L HN 0.043 nan 8.230 nan 0.000 0.432 908 G N -2.372 106.438 108.800 0.018 0.000 2.510 908 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.212 908 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.212 908 G C 1.512 176.421 174.900 0.015 0.000 1.151 908 G CA 0.524 45.631 45.100 0.012 0.000 0.817 908 G HN 0.173 nan 8.290 nan 0.000 0.534 909 V N 1.365 121.275 119.914 -0.007 0.000 2.469 909 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 909 V C 2.612 178.728 176.094 0.037 0.000 1.064 909 V CA 1.696 63.990 62.300 -0.011 0.000 1.066 909 V CB -0.379 31.396 31.823 -0.079 0.000 0.667 909 V HN 0.442 nan 8.190 nan 0.000 0.461 910 I N 1.242 121.827 120.570 0.024 0.000 2.194 910 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 910 I C 2.241 178.397 176.117 0.064 0.000 1.093 910 I CA 2.289 63.613 61.300 0.040 0.000 1.355 910 I CB -0.710 37.296 38.000 0.010 0.000 1.046 910 I HN 0.232 nan 8.210 nan 0.000 0.413 911 G N -0.533 108.300 108.800 0.056 0.000 2.421 911 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 911 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 911 G C 1.715 176.677 174.900 0.104 0.000 1.143 911 G CA 0.570 45.705 45.100 0.059 0.000 0.784 911 G HN 0.622 nan 8.290 nan 0.000 0.541 912 A N 0.804 123.711 122.820 0.145 0.000 1.902 912 A HA 0.063 4.382 4.320 -0.000 0.000 0.217 912 A C 2.394 180.215 177.584 0.394 0.000 1.181 912 A CA 1.351 53.549 52.037 0.268 0.000 0.623 912 A CB -0.364 18.775 19.000 0.233 0.000 0.818 912 A HN 0.355 nan 8.150 nan 0.000 0.443 913 L N -1.193 120.237 121.223 0.345 0.000 2.044 913 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 913 L C 2.522 179.464 176.870 0.120 0.000 1.075 913 L CA 1.044 56.059 54.840 0.292 0.000 0.747 913 L CB -0.678 41.548 42.059 0.279 0.000 0.903 913 L HN 0.358 nan 8.230 nan 0.000 0.435 914 L N 0.127 121.415 121.223 0.110 0.000 2.013 914 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 914 L C 2.747 179.669 176.870 0.087 0.000 1.073 914 L CA 1.746 56.634 54.840 0.079 0.000 0.753 914 L CB -0.378 41.707 42.059 0.043 0.000 0.890 914 L HN 0.276 nan 8.230 nan 0.000 0.432 915 A N -1.089 121.775 122.820 0.074 0.000 1.969 915 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 915 A C 2.311 179.930 177.584 0.059 0.000 1.169 915 A CA 1.561 53.645 52.037 0.080 0.000 0.635 915 A CB -0.722 18.317 19.000 0.065 0.000 0.810 915 A HN 0.521 nan 8.150 nan 0.000 0.445 916 A N -1.233 121.564 122.820 -0.038 0.000 2.021 916 A HA 0.087 4.407 4.320 -0.000 0.000 0.216 916 A C 2.172 179.691 177.584 -0.108 0.000 1.163 916 A CA 1.760 53.691 52.037 -0.176 0.000 0.676 916 A CB -0.715 17.947 19.000 -0.564 0.000 0.818 916 A HN 0.405 nan 8.150 nan 0.000 0.453 917 T N -1.009 113.528 114.554 -0.027 0.000 2.896 917 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 917 T C 1.589 176.324 174.700 0.059 0.000 1.050 917 T CA 1.205 63.307 62.100 0.003 0.000 1.140 917 T CB -0.315 68.573 68.868 0.032 0.000 0.877 917 T HN 0.414 nan 8.240 nan 0.000 0.457 918 F N 1.957 121.884 119.950 -0.039 0.000 2.128 918 F HA 0.187 4.714 4.527 -0.000 0.000 0.295 918 F C 1.408 177.189 175.800 -0.032 0.000 1.100 918 F CA 0.714 58.698 58.000 -0.026 0.000 1.260 918 F CB 0.018 39.008 39.000 -0.016 0.000 1.009 918 F HN -0.135 nan 8.300 nan 0.000 0.476 919 R N -0.527 119.979 120.500 0.011 0.000 2.574 919 R HA 0.233 4.573 4.340 -0.000 0.000 0.266 919 R C 1.157 177.396 176.300 -0.101 0.000 1.157 919 R CA 0.345 56.395 56.100 -0.083 0.000 1.187 919 R CB 0.030 30.335 30.300 0.008 0.000 1.179 919 R HN 0.258 nan 8.270 nan 0.000 0.600 920 G N 1.025 109.771 108.800 -0.089 0.000 3.155 920 G HA2 0.037 3.997 3.960 -0.000 0.000 0.213 920 G HA3 0.037 3.997 3.960 -0.000 0.000 0.213 920 G C 0.388 175.250 174.900 -0.063 0.000 1.196 920 G CA -0.124 44.931 45.100 -0.076 0.000 0.846 920 G HN 0.098 nan 8.290 nan 0.000 0.516 921 L N 0.015 121.192 121.223 -0.077 0.000 2.466 921 L HA 0.559 4.899 4.340 -0.000 0.000 0.257 921 L C 0.710 177.503 176.870 -0.128 0.000 1.189 921 L CA 0.364 55.147 54.840 -0.095 0.000 0.813 921 L CB 1.182 43.161 42.059 -0.133 0.000 1.118 921 L HN 0.051 nan 8.230 nan 0.000 0.471 922 T N 0.045 114.526 114.554 -0.122 0.000 2.838 922 T HA 0.257 4.607 4.350 -0.000 0.000 0.292 922 T C -0.245 174.403 174.700 -0.087 0.000 1.113 922 T CA -0.678 61.360 62.100 -0.103 0.000 1.008 922 T CB 1.090 69.941 68.868 -0.028 0.000 1.259 922 T HN 0.545 nan 8.240 nan 0.000 0.520 923 N N 1.942 120.660 118.700 0.029 0.000 2.819 923 N HA 0.189 4.929 4.740 -0.000 0.000 0.284 923 N C -0.130 175.539 175.510 0.266 0.000 1.196 923 N CA -0.218 53.001 53.050 0.281 0.000 1.114 923 N CB -0.141 38.518 38.487 0.288 0.000 1.437 923 N HN 0.621 nan 8.380 nan 0.000 0.518 924 D N -0.963 119.597 120.400 0.268 0.000 2.496 924 D HA 0.099 4.739 4.640 -0.000 0.000 0.283 924 D C 1.092 177.497 176.300 0.175 0.000 1.214 924 D CA -0.787 53.315 54.000 0.170 0.000 1.089 924 D CB 0.200 41.074 40.800 0.124 0.000 1.141 924 D HN -0.037 nan 8.370 nan 0.000 0.580 925 V N -1.272 118.597 119.914 -0.076 0.000 2.323 925 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 925 V C 1.962 178.135 176.094 0.133 0.000 1.041 925 V CA 1.333 63.573 62.300 -0.099 0.000 1.025 925 V CB -0.951 30.472 31.823 -0.667 0.000 0.656 925 V HN 0.510 nan 8.190 nan 0.000 0.451 926 Y N -1.499 118.986 120.300 0.307 0.000 2.293 926 Y HA -0.212 4.338 4.550 -0.000 0.000 0.291 926 Y C 2.228 178.331 175.900 0.338 0.000 1.137 926 Y CA 1.699 60.033 58.100 0.391 0.000 1.202 926 Y CB -0.427 38.207 38.460 0.290 0.000 0.990 926 Y HN 0.287 nan 8.280 nan 0.000 0.537 927 F N 1.218 121.343 119.950 0.292 0.000 2.206 927 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 927 F C 2.341 178.262 175.800 0.202 0.000 1.090 927 F CA 1.367 59.492 58.000 0.208 0.000 1.323 927 F CB -0.520 38.582 39.000 0.171 0.000 1.028 927 F HN -0.016 nan 8.300 nan 0.000 0.492 928 Q N -0.154 119.733 119.800 0.145 0.000 2.170 928 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 928 Q C 1.810 177.836 176.000 0.042 0.000 0.976 928 Q CA 1.895 57.725 55.803 0.046 0.000 0.858 928 Q CB -0.102 28.747 28.738 0.184 0.000 0.907 928 Q HN 0.349 nan 8.270 nan 0.000 0.433 929 V N -1.218 118.792 119.914 0.160 0.000 2.992 929 V HA 0.092 4.212 4.120 -0.000 0.000 0.250 929 V C 1.981 178.134 176.094 0.098 0.000 1.090 929 V CA 1.156 63.559 62.300 0.172 0.000 1.101 929 V CB -0.239 31.762 31.823 0.297 0.000 0.743 929 V HN 0.457 nan 8.190 nan 0.000 0.468 930 G N -0.047 108.802 108.800 0.082 0.000 2.509 930 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 930 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 930 G C 1.468 176.339 174.900 -0.050 0.000 1.124 930 G CA 0.485 45.615 45.100 0.050 0.000 0.776 930 G HN 0.417 nan 8.290 nan 0.000 0.547 931 L N -0.435 120.696 121.223 -0.154 0.000 2.049 931 L HA 0.069 4.409 4.340 -0.000 0.000 0.203 931 L C 2.796 179.604 176.870 -0.104 0.000 1.074 931 L CA 0.728 55.457 54.840 -0.185 0.000 0.749 931 L CB -0.425 41.481 42.059 -0.255 0.000 0.907 931 L HN 0.214 nan 8.230 nan 0.000 0.439 932 L N -0.973 120.215 121.223 -0.058 0.000 2.141 932 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 932 L C 2.487 179.172 176.870 -0.309 0.000 1.094 932 L CA 1.151 55.910 54.840 -0.135 0.000 0.763 932 L CB -1.105 40.944 42.059 -0.015 0.000 0.908 932 L HN 0.194 nan 8.230 nan 0.000 0.437 933 T N -1.334 113.094 114.554 -0.211 0.000 2.777 933 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 933 T C 1.972 176.528 174.700 -0.241 0.000 1.040 933 T CA 1.858 63.803 62.100 -0.257 0.000 1.141 933 T CB -0.367 68.451 68.868 -0.083 0.000 0.868 933 T HN 0.326 nan 8.240 nan 0.000 0.444 934 T N 2.120 116.582 114.554 -0.152 0.000 2.746 934 T HA 0.029 4.378 4.350 -0.000 0.000 0.267 934 T C 1.979 176.580 174.700 -0.165 0.000 1.039 934 T CA 0.882 62.902 62.100 -0.134 0.000 1.142 934 T CB -0.420 68.411 68.868 -0.061 0.000 0.866 934 T HN 0.296 nan 8.240 nan 0.000 0.444 935 I N 1.153 121.620 120.570 -0.172 0.000 2.226 935 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 935 I C 2.832 178.815 176.117 -0.223 0.000 1.100 935 I CA 1.226 62.423 61.300 -0.172 0.000 1.374 935 I CB -0.564 37.345 38.000 -0.151 0.000 1.057 935 I HN 0.304 nan 8.210 nan 0.000 0.413 936 G N 0.686 109.303 108.800 -0.305 0.000 2.422 936 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 936 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 936 G C 1.677 176.404 174.900 -0.289 0.000 1.146 936 G CA 0.557 45.454 45.100 -0.339 0.000 0.769 936 G HN 0.276 nan 8.290 nan 0.000 0.547 937 L N 0.295 121.339 121.223 -0.298 0.000 2.156 937 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 937 L C 3.071 179.809 176.870 -0.220 0.000 1.095 937 L CA 0.850 55.512 54.840 -0.296 0.000 0.770 937 L CB -0.190 41.636 42.059 -0.388 0.000 0.914 937 L HN 0.166 nan 8.230 nan 0.000 0.439 938 S N -0.536 115.052 115.700 -0.186 0.000 2.383 938 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 938 S C 2.173 176.683 174.600 -0.150 0.000 1.026 938 S CA 1.118 59.234 58.200 -0.140 0.000 0.981 938 S CB -0.098 63.037 63.200 -0.108 0.000 0.818 938 S HN 0.466 nan 8.310 nan 0.000 0.472 939 A N 1.173 123.891 122.820 -0.171 0.000 1.902 939 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 939 A C 1.982 179.451 177.584 -0.191 0.000 1.181 939 A CA 1.967 53.896 52.037 -0.180 0.000 0.623 939 A CB -0.551 18.339 19.000 -0.184 0.000 0.818 939 A HN 0.438 nan 8.150 nan 0.000 0.443 940 K N 0.194 120.479 120.400 -0.192 0.000 2.009 940 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 940 K C 1.838 178.328 176.600 -0.183 0.000 1.049 940 K CA 1.854 58.029 56.287 -0.188 0.000 0.929 940 K CB -0.244 32.140 32.500 -0.193 0.000 0.714 940 K HN 0.448 nan 8.250 nan 0.000 0.440 941 N N 0.162 118.761 118.700 -0.169 0.000 2.137 941 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 941 N C 1.540 176.952 175.510 -0.162 0.000 1.017 941 N CA 1.544 54.506 53.050 -0.147 0.000 0.859 941 N CB -0.363 38.052 38.487 -0.120 0.000 1.002 941 N HN 0.351 nan 8.380 nan 0.000 0.428 942 A N 0.605 123.320 122.820 -0.174 0.000 1.898 942 A HA 0.071 4.391 4.320 -0.000 0.000 0.214 942 A C 2.357 179.802 177.584 -0.231 0.000 1.183 942 A CA 0.497 52.419 52.037 -0.192 0.000 0.622 942 A CB -0.509 18.387 19.000 -0.173 0.000 0.824 942 A HN 0.144 nan 8.150 nan 0.000 0.444 943 I N 0.197 120.612 120.570 -0.259 0.000 2.208 943 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 943 I C 2.234 178.177 176.117 -0.289 0.000 1.097 943 I CA 1.169 62.275 61.300 -0.323 0.000 1.363 943 I CB -0.203 37.611 38.000 -0.309 0.000 1.051 943 I HN 0.304 nan 8.210 nan 0.000 0.413 944 L N -0.172 120.878 121.223 -0.288 0.000 2.131 944 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 944 L C 2.333 179.060 176.870 -0.238 0.000 1.092 944 L CA 1.104 55.708 54.840 -0.393 0.000 0.759 944 L CB -0.615 41.238 42.059 -0.343 0.000 0.903 944 L HN 0.219 nan 8.230 nan 0.000 0.435 945 I N -0.759 119.707 120.570 -0.173 0.000 2.614 945 I HA -0.176 3.994 4.170 -0.000 0.000 0.258 945 I C 2.161 178.230 176.117 -0.079 0.000 1.189 945 I CA 0.867 62.083 61.300 -0.140 0.000 1.462 945 I CB -0.117 37.689 38.000 -0.323 0.000 1.092 945 I HN 0.124 nan 8.210 nan 0.000 0.442 946 V N 0.250 120.092 119.914 -0.121 0.000 2.521 946 V HA -0.114 4.006 4.120 -0.000 0.000 0.239 946 V C 2.392 178.476 176.094 -0.017 0.000 1.053 946 V CA 1.174 63.425 62.300 -0.082 0.000 1.073 946 V CB -0.318 31.398 31.823 -0.178 0.000 0.746 946 V HN 0.228 nan 8.190 nan 0.000 0.476 947 E N 0.638 120.800 120.200 -0.063 0.000 2.085 947 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 947 E C 1.961 178.624 176.600 0.105 0.000 0.994 947 E CA 1.939 58.351 56.400 0.020 0.000 0.801 947 E CB -0.409 29.266 29.700 -0.042 0.000 0.743 947 E HN 0.589 nan 8.360 nan 0.000 0.453 948 F N -0.276 119.696 119.950 0.038 0.000 2.113 948 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 948 F C 2.344 178.176 175.800 0.053 0.000 1.103 948 F CA 0.437 58.462 58.000 0.041 0.000 1.248 948 F CB -0.195 38.827 39.000 0.036 0.000 0.999 948 F HN 0.168 nan 8.300 nan 0.000 0.475 949 A N -0.614 122.361 122.820 0.259 0.000 2.014 949 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 949 A C 1.859 179.529 177.584 0.144 0.000 1.163 949 A CA 1.252 53.400 52.037 0.186 0.000 0.652 949 A CB -0.305 18.804 19.000 0.183 0.000 0.808 949 A HN 0.097 nan 8.150 nan 0.000 0.449 950 K N 0.171 120.647 120.400 0.127 0.000 2.305 950 K HA 0.039 4.359 4.320 -0.000 0.000 0.199 950 K C 0.976 177.637 176.600 0.101 0.000 1.047 950 K CA 0.736 57.082 56.287 0.098 0.000 0.976 950 K CB -0.135 32.416 32.500 0.085 0.000 0.765 950 K HN 0.351 nan 8.250 nan 0.000 0.474 951 D N -0.087 120.390 120.400 0.129 0.000 2.312 951 D HA -0.016 4.624 4.640 -0.000 0.000 0.211 951 D C 1.390 177.748 176.300 0.096 0.000 0.964 951 D CA 0.617 54.688 54.000 0.118 0.000 0.877 951 D CB 0.353 41.252 40.800 0.164 0.000 0.924 951 D HN 0.141 nan 8.370 nan 0.000 0.515 952 L N -0.545 120.740 121.223 0.103 0.000 2.357 952 L HA 0.149 4.489 4.340 -0.000 0.000 0.211 952 L C 2.290 179.208 176.870 0.080 0.000 1.075 952 L CA 0.162 55.050 54.840 0.082 0.000 0.830 952 L CB 0.030 42.141 42.059 0.086 0.000 0.996 952 L HN -0.081 nan 8.230 nan 0.000 0.467 953 M N -0.614 119.042 119.600 0.093 0.000 2.319 953 M HA -0.153 4.327 4.480 -0.000 0.000 0.265 953 M C 1.153 177.498 176.300 0.076 0.000 1.068 953 M CA 1.595 56.954 55.300 0.098 0.000 1.118 953 M CB 0.127 32.791 32.600 0.107 0.000 1.395 953 M HN 0.226 nan 8.290 nan 0.000 0.435 954 D N -0.940 119.497 120.400 0.061 0.000 2.995 954 D HA -0.002 4.638 4.640 -0.000 0.000 0.289 954 D C 1.613 177.937 176.300 0.039 0.000 1.116 954 D CA 0.585 54.612 54.000 0.046 0.000 0.994 954 D CB -0.061 40.761 40.800 0.037 0.000 1.209 954 D HN 0.285 nan 8.370 nan 0.000 0.458 955 K N 0.660 121.084 120.400 0.041 0.000 2.148 955 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 955 K C 1.230 177.848 176.600 0.031 0.000 1.050 955 K CA 0.847 57.154 56.287 0.034 0.000 0.942 955 K CB 0.382 32.904 32.500 0.036 0.000 0.724 955 K HN 0.199 nan 8.250 nan 0.000 0.446 956 E N 0.032 120.254 120.200 0.036 0.000 2.754 956 E HA 0.241 4.591 4.350 -0.000 0.000 0.224 956 E C 0.142 176.762 176.600 0.034 0.000 0.851 956 E CA -0.622 55.796 56.400 0.031 0.000 1.047 956 E CB 0.141 29.859 29.700 0.029 0.000 1.584 956 E HN 0.094 nan 8.360 nan 0.000 0.429 957 G N 1.139 109.957 108.800 0.030 0.000 2.406 957 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.251 957 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.251 957 G C 0.769 175.696 174.900 0.045 0.000 1.271 957 G CA 0.032 45.150 45.100 0.029 0.000 0.859 957 G HN 0.342 nan 8.290 nan 0.000 0.540 958 K N 2.121 122.552 120.400 0.051 0.000 2.015 958 K HA -0.133 4.187 4.320 -0.000 0.000 0.220 958 K C 1.572 178.228 176.600 0.093 0.000 1.055 958 K CA 1.472 57.809 56.287 0.084 0.000 0.951 958 K CB -0.568 31.981 32.500 0.082 0.000 0.725 958 K HN 1.242 nan 8.250 nan 0.000 0.449 959 G N 1.441 110.264 108.800 0.038 0.000 2.387 959 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.270 959 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.270 959 G C 0.329 175.227 174.900 -0.004 0.000 0.957 959 G CA 0.498 45.603 45.100 0.008 0.000 1.352 959 G HN 0.390 nan 8.290 nan 0.000 0.457 960 L N 0.916 122.048 121.223 -0.151 0.000 1.990 960 L HA -0.105 4.235 4.340 -0.000 0.000 0.213 960 L C 2.580 179.266 176.870 -0.307 0.000 1.072 960 L CA 2.824 57.371 54.840 -0.488 0.000 0.755 960 L CB -0.033 41.632 42.059 -0.656 0.000 0.889 960 L HN 0.879 nan 8.230 nan 0.000 0.432 961 I N -6.237 114.207 120.570 -0.211 0.000 4.147 961 I HA 0.203 4.373 4.170 -0.000 0.000 0.329 961 I C 1.474 177.517 176.117 -0.124 0.000 1.424 961 I CA 0.042 61.246 61.300 -0.160 0.000 1.127 961 I CB 0.424 38.302 38.000 -0.202 0.000 1.128 961 I HN -0.034 nan 8.210 nan 0.000 0.417 962 E N 1.628 121.778 120.200 -0.084 0.000 2.251 962 E HA 0.274 4.624 4.350 -0.000 0.000 0.194 962 E C 2.336 178.926 176.600 -0.016 0.000 0.964 962 E CA 0.968 57.332 56.400 -0.060 0.000 0.868 962 E CB 0.173 29.842 29.700 -0.052 0.000 0.828 962 E HN 0.568 nan 8.360 nan 0.000 0.481 963 A N 0.573 123.408 122.820 0.025 0.000 1.930 963 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 963 A C 2.330 179.978 177.584 0.108 0.000 1.176 963 A CA 1.765 53.843 52.037 0.068 0.000 0.632 963 A CB -0.935 18.122 19.000 0.097 0.000 0.819 963 A HN 0.360 nan 8.150 nan 0.000 0.445 964 T N -1.071 113.559 114.554 0.127 0.000 2.777 964 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 964 T C 1.873 176.685 174.700 0.186 0.000 1.040 964 T CA 1.376 63.617 62.100 0.236 0.000 1.141 964 T CB -0.550 68.477 68.868 0.265 0.000 0.868 964 T HN 0.244 nan 8.240 nan 0.000 0.444 965 L N 1.416 122.607 121.223 -0.053 0.000 2.056 965 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 965 L C 2.401 179.268 176.870 -0.004 0.000 1.078 965 L CA 2.115 56.866 54.840 -0.148 0.000 0.749 965 L CB -0.490 41.451 42.059 -0.197 0.000 0.901 965 L HN 0.225 nan 8.230 nan 0.000 0.433 966 D N -0.610 119.804 120.400 0.023 0.000 2.178 966 D HA -0.177 4.463 4.640 -0.000 0.000 0.202 966 D C 2.103 178.448 176.300 0.076 0.000 0.974 966 D CA 1.188 55.211 54.000 0.039 0.000 0.841 966 D CB 0.117 40.933 40.800 0.026 0.000 0.953 966 D HN 0.441 nan 8.370 nan 0.000 0.478 967 A N -0.107 122.792 122.820 0.132 0.000 1.858 967 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 967 A C 2.433 180.137 177.584 0.201 0.000 1.190 967 A CA 1.513 53.650 52.037 0.167 0.000 0.617 967 A CB -1.041 18.106 19.000 0.246 0.000 0.827 967 A HN 0.235 nan 8.150 nan 0.000 0.443 968 V N -0.006 120.096 119.914 0.314 0.000 2.970 968 V HA -0.104 4.016 4.120 -0.000 0.000 0.260 968 V C 2.436 178.683 176.094 0.255 0.000 1.100 968 V CA 1.447 63.966 62.300 0.365 0.000 1.122 968 V CB -0.790 31.451 31.823 0.696 0.000 0.721 968 V HN 0.523 nan 8.190 nan 0.000 0.483 969 R N 0.610 121.209 120.500 0.167 0.000 2.241 969 R HA -0.081 4.259 4.340 -0.000 0.000 0.224 969 R C 0.574 176.923 176.300 0.081 0.000 1.101 969 R CA 1.180 57.347 56.100 0.111 0.000 0.995 969 R CB -0.055 30.283 30.300 0.064 0.000 0.870 969 R HN 0.665 nan 8.270 nan 0.000 0.463 970 M N -1.344 118.294 119.600 0.064 0.000 3.718 970 M HA 0.301 4.781 4.480 -0.000 0.000 0.421 970 M C -0.388 175.908 176.300 -0.006 0.000 1.795 970 M CA -0.451 54.857 55.300 0.013 0.000 0.603 970 M CB 1.059 33.640 32.600 -0.031 0.000 1.428 970 M HN -0.058 nan 8.290 nan 0.000 0.514 971 R N -1.278 119.262 120.500 0.067 0.000 2.447 971 R HA 0.226 4.566 4.340 -0.000 0.000 0.160 971 R C 0.018 176.375 176.300 0.095 0.000 0.549 971 R CA -0.367 55.798 56.100 0.107 0.000 0.767 971 R CB -1.164 29.279 30.300 0.239 0.000 1.247 971 R HN 0.366 nan 8.270 nan 0.000 0.535 972 L N 0.713 121.972 121.223 0.061 0.000 2.156 972 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 972 L C 1.929 178.778 176.870 -0.035 0.000 1.095 972 L CA 1.806 56.634 54.840 -0.020 0.000 0.770 972 L CB -0.363 41.624 42.059 -0.120 0.000 0.914 972 L HN 0.552 nan 8.230 nan 0.000 0.439 973 R N 0.814 121.320 120.500 0.010 0.000 2.070 973 R HA -0.109 4.231 4.340 -0.000 0.000 0.233 973 R C -0.424 175.863 176.300 -0.022 0.000 1.137 973 R CA 1.850 57.994 56.100 0.073 0.000 0.945 973 R CB -1.319 29.048 30.300 0.111 0.000 0.845 973 R HN 0.335 nan 8.270 nan 0.000 0.430 974 P HA -0.133 nan 4.420 nan 0.000 0.218 974 P C 1.609 178.850 177.300 -0.099 0.000 1.149 974 P CA 1.137 64.205 63.100 -0.054 0.000 0.817 974 P CB -0.184 31.532 31.700 0.026 0.000 0.785 975 I N -0.889 119.638 120.570 -0.071 0.000 2.179 975 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 975 I C 2.458 178.502 176.117 -0.122 0.000 1.088 975 I CA 1.309 62.557 61.300 -0.086 0.000 1.357 975 I CB -1.121 36.845 38.000 -0.056 0.000 1.051 975 I HN -0.039 nan 8.210 nan 0.000 0.409 976 L N -0.320 120.817 121.223 -0.144 0.000 2.217 976 L HA -0.080 4.259 4.340 -0.000 0.000 0.211 976 L C 2.531 179.188 176.870 -0.354 0.000 1.107 976 L CA 1.114 55.849 54.840 -0.175 0.000 0.783 976 L CB -0.317 41.684 42.059 -0.097 0.000 0.919 976 L HN 0.119 nan 8.230 nan 0.000 0.442 977 M N -1.551 117.744 119.600 -0.509 0.000 2.086 977 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 977 M C 2.149 178.249 176.300 -0.334 0.000 1.067 977 M CA 2.032 56.933 55.300 -0.665 0.000 1.116 977 M CB -0.242 32.035 32.600 -0.538 0.000 1.348 977 M HN 0.171 nan 8.290 nan 0.000 0.407 978 T N -0.727 113.701 114.554 -0.211 0.000 2.674 978 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 978 T C 1.880 176.540 174.700 -0.066 0.000 1.039 978 T CA 1.762 63.788 62.100 -0.123 0.000 1.150 978 T CB -0.334 68.457 68.868 -0.129 0.000 0.864 978 T HN 0.415 nan 8.240 nan 0.000 0.427 979 S N 0.720 116.370 115.700 -0.083 0.000 2.359 979 S HA -0.132 4.337 4.470 -0.000 0.000 0.222 979 S C 2.016 176.622 174.600 0.009 0.000 1.038 979 S CA 1.377 59.566 58.200 -0.018 0.000 1.051 979 S CB -0.600 62.577 63.200 -0.039 0.000 0.944 979 S HN 0.307 nan 8.310 nan 0.000 0.433 980 L N 1.402 122.587 121.223 -0.063 0.000 2.046 980 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 980 L C 2.483 179.330 176.870 -0.039 0.000 1.077 980 L CA 2.038 56.845 54.840 -0.055 0.000 0.747 980 L CB -0.955 41.051 42.059 -0.089 0.000 0.896 980 L HN 0.378 nan 8.230 nan 0.000 0.432 981 A N -1.576 121.215 122.820 -0.048 0.000 1.929 981 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 981 A C 2.177 179.781 177.584 0.033 0.000 1.176 981 A CA 1.516 53.542 52.037 -0.018 0.000 0.628 981 A CB -0.896 18.084 19.000 -0.034 0.000 0.816 981 A HN 0.497 nan 8.150 nan 0.000 0.444 982 F N 0.639 120.540 119.950 -0.081 0.000 2.118 982 F HA 0.012 4.539 4.527 -0.000 0.000 0.293 982 F C 1.775 177.540 175.800 -0.059 0.000 1.102 982 F CA 1.420 59.378 58.000 -0.070 0.000 1.247 982 F CB -0.185 38.769 39.000 -0.076 0.000 1.017 982 F HN 0.125 nan 8.300 nan 0.000 0.475 983 I N 0.098 120.647 120.570 -0.035 0.000 2.916 983 I HA -0.232 3.938 4.170 -0.000 0.000 0.267 983 I C 1.880 177.909 176.117 -0.147 0.000 1.263 983 I CA 0.780 62.008 61.300 -0.119 0.000 1.471 983 I CB -0.385 37.619 38.000 0.006 0.000 1.089 983 I HN 0.245 nan 8.210 nan 0.000 0.468 984 L N -0.236 120.911 121.223 -0.126 0.000 2.408 984 L HA 0.151 4.491 4.340 -0.000 0.000 0.215 984 L C 2.483 179.274 176.870 -0.132 0.000 1.081 984 L CA 0.631 55.409 54.840 -0.104 0.000 0.840 984 L CB -0.366 41.656 42.059 -0.061 0.000 1.002 984 L HN 0.246 nan 8.230 nan 0.000 0.468 985 G N -0.839 107.854 108.800 -0.178 0.000 2.511 985 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 985 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 985 G C 1.444 176.186 174.900 -0.262 0.000 1.133 985 G CA 0.410 45.398 45.100 -0.187 0.000 0.792 985 G HN 0.151 nan 8.290 nan 0.000 0.539 986 V N 0.733 120.412 119.914 -0.390 0.000 2.719 986 V HA -0.047 4.073 4.120 -0.000 0.000 0.252 986 V C 2.588 178.545 176.094 -0.229 0.000 1.065 986 V CA 1.451 63.521 62.300 -0.384 0.000 1.086 986 V CB -0.159 31.333 31.823 -0.552 0.000 0.700 986 V HN 0.431 nan 8.190 nan 0.000 0.467 987 M N 0.585 120.076 119.600 -0.181 0.000 2.089 987 M HA -0.188 4.292 4.480 -0.000 0.000 0.257 987 M C -0.444 175.795 176.300 -0.102 0.000 1.071 987 M CA 2.526 57.754 55.300 -0.119 0.000 1.096 987 M CB -1.029 31.515 32.600 -0.093 0.000 1.330 987 M HN 0.237 nan 8.290 nan 0.000 0.403 988 P HA -0.135 nan 4.420 nan 0.000 0.226 988 P C 1.070 178.312 177.300 -0.096 0.000 1.146 988 P CA 1.129 64.176 63.100 -0.088 0.000 0.773 988 P CB -0.116 31.532 31.700 -0.086 0.000 0.772 989 L N -1.876 119.274 121.223 -0.122 0.000 2.185 989 L HA -0.041 4.299 4.340 -0.000 0.000 0.198 989 L C 2.316 179.117 176.870 -0.114 0.000 1.079 989 L CA 0.808 55.565 54.840 -0.139 0.000 0.780 989 L CB -1.184 40.757 42.059 -0.198 0.000 0.955 989 L HN -0.158 nan 8.230 nan 0.000 0.462 990 V N 0.829 120.680 119.914 -0.104 0.000 2.215 990 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 990 V C 1.633 177.698 176.094 -0.049 0.000 1.054 990 V CA 1.835 64.093 62.300 -0.069 0.000 1.012 990 V CB -0.722 31.067 31.823 -0.057 0.000 0.639 990 V HN 0.274 nan 8.190 nan 0.000 0.448 991 I N -1.939 118.604 120.570 -0.045 0.000 4.512 991 I HA 0.477 4.647 4.170 -0.000 0.000 0.215 991 I C 1.800 177.894 176.117 -0.040 0.000 1.360 991 I CA 0.351 61.632 61.300 -0.032 0.000 1.370 991 I CB 0.351 38.339 38.000 -0.020 0.000 1.496 991 I HN 0.237 nan 8.210 nan 0.000 0.536 992 S N -0.826 114.856 115.700 -0.031 0.000 3.140 992 S HA -0.275 4.195 4.470 -0.000 0.000 0.283 992 S C 0.770 175.352 174.600 -0.032 0.000 1.462 992 S CA 1.914 60.095 58.200 -0.031 0.000 3.164 992 S CB -2.633 60.542 63.200 -0.041 0.000 1.477 992 S HN 0.921 nan 8.310 nan 0.000 0.493 993 T N 1.223 115.751 114.554 -0.043 0.000 2.788 993 T HA 0.603 4.953 4.350 -0.000 0.000 0.287 993 T C 0.344 175.025 174.700 -0.032 0.000 1.007 993 T CA -0.064 62.009 62.100 -0.045 0.000 1.005 993 T CB 1.479 70.310 68.868 -0.061 0.000 1.012 993 T HN 1.117 nan 8.240 nan 0.000 0.530 994 G N -1.722 107.064 108.800 -0.024 0.000 2.563 994 G HA2 0.634 4.594 3.960 -0.000 0.000 0.302 994 G HA3 0.634 4.594 3.960 -0.000 0.000 0.302 994 G C 0.142 175.027 174.900 -0.025 0.000 1.301 994 G CA -0.483 44.595 45.100 -0.038 0.000 0.965 994 G HN 0.940 nan 8.290 nan 0.000 0.480 995 A N 0.294 123.068 122.820 -0.076 0.000 1.988 995 A HA 0.510 4.830 4.320 -0.000 0.000 0.201 995 A C 2.111 179.526 177.584 -0.282 0.000 1.410 995 A CA 1.564 53.566 52.037 -0.058 0.000 0.832 995 A CB -0.269 18.719 19.000 -0.020 0.000 0.981 995 A HN 1.135 nan 8.150 nan 0.000 0.492 996 G N -1.006 107.462 108.800 -0.553 0.000 2.459 996 G HA2 0.280 4.240 3.960 -0.000 0.000 0.213 996 G HA3 0.280 4.240 3.960 -0.000 0.000 0.213 996 G C 0.620 175.293 174.900 -0.378 0.000 1.155 996 G CA 1.122 45.668 45.100 -0.923 0.000 0.811 996 G HN 0.615 nan 8.290 nan 0.000 0.534 997 S N -0.333 115.249 115.700 -0.196 0.000 2.774 997 S HA 0.523 4.993 4.470 -0.000 0.000 0.297 997 S C 1.055 175.668 174.600 0.022 0.000 1.143 997 S CA 0.132 58.318 58.200 -0.023 0.000 1.090 997 S CB 1.082 64.282 63.200 -0.000 0.000 1.019 997 S HN 0.246 nan 8.310 nan 0.000 0.482 998 G N 2.798 111.644 108.800 0.076 0.000 2.712 998 G HA2 0.187 4.147 3.960 -0.000 0.000 0.212 998 G HA3 0.187 4.147 3.960 -0.000 0.000 0.212 998 G C 1.302 176.230 174.900 0.047 0.000 1.142 998 G CA 0.534 45.668 45.100 0.058 0.000 0.789 998 G HN 0.861 nan 8.290 nan 0.000 0.535 999 A N 0.424 123.295 122.820 0.085 0.000 2.014 999 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 999 A C 2.206 179.605 177.584 -0.308 0.000 1.163 999 A CA 1.428 53.460 52.037 -0.007 0.000 0.652 999 A CB -0.244 18.849 19.000 0.155 0.000 0.808 999 A HN 0.415 nan 8.150 nan 0.000 0.449 1000 Q N -0.129 119.545 119.800 -0.209 0.000 2.096 1000 Q HA -0.226 4.113 4.340 -0.000 0.000 0.204 1000 Q C 1.728 177.552 176.000 -0.293 0.000 0.982 1000 Q CA 1.812 57.386 55.803 -0.382 0.000 0.850 1000 Q CB -0.251 28.398 28.738 -0.147 0.000 0.901 1000 Q HN 0.758 nan 8.270 nan 0.000 0.422 1001 N N 0.524 119.131 118.700 -0.155 0.000 2.188 1001 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 1001 N C 1.491 176.952 175.510 -0.081 0.000 1.018 1001 N CA 1.279 54.270 53.050 -0.098 0.000 0.858 1001 N CB -0.295 38.164 38.487 -0.047 0.000 0.989 1001 N HN 0.238 nan 8.380 nan 0.000 0.426 1002 A N 0.310 123.086 122.820 -0.073 0.000 1.969 1002 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 1002 A C 2.236 179.848 177.584 0.046 0.000 1.169 1002 A CA 1.065 53.116 52.037 0.025 0.000 0.635 1002 A CB -0.591 18.497 19.000 0.146 0.000 0.810 1002 A HN 0.111 nan 8.150 nan 0.000 0.445 1003 V N -0.271 119.555 119.914 -0.147 0.000 2.255 1003 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 1003 V C 2.866 178.927 176.094 -0.056 0.000 1.038 1003 V CA 1.845 64.073 62.300 -0.120 0.000 1.008 1003 V CB -1.595 29.964 31.823 -0.440 0.000 0.645 1003 V HN 0.543 nan 8.190 nan 0.000 0.449 1004 G N 0.224 108.946 108.800 -0.130 0.000 2.459 1004 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 1004 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 1004 G C 1.666 176.553 174.900 -0.021 0.000 1.183 1004 G CA 1.727 46.766 45.100 -0.101 0.000 0.776 1004 G HN 0.483 nan 8.290 nan 0.000 0.552 1005 T N 0.954 115.508 114.554 0.001 0.000 2.881 1005 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 1005 T C 2.400 177.165 174.700 0.109 0.000 1.068 1005 T CA 1.303 63.423 62.100 0.034 0.000 1.131 1005 T CB -0.360 68.513 68.868 0.008 0.000 0.871 1005 T HN 0.367 nan 8.240 nan 0.000 0.479 1006 G N 0.880 109.800 108.800 0.199 0.000 2.448 1006 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.218 1006 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.218 1006 G C 1.532 176.601 174.900 0.282 0.000 1.135 1006 G CA 0.868 46.229 45.100 0.436 0.000 0.784 1006 G HN 0.522 nan 8.290 nan 0.000 0.543 1007 V N -0.391 119.627 119.914 0.173 0.000 2.922 1007 V HA 0.150 4.270 4.120 -0.000 0.000 0.242 1007 V C 2.567 178.756 176.094 0.157 0.000 1.094 1007 V CA 0.653 63.055 62.300 0.170 0.000 1.106 1007 V CB -0.275 31.679 31.823 0.219 0.000 0.799 1007 V HN 0.211 nan 8.190 nan 0.000 0.474 1008 M N 1.434 121.087 119.600 0.089 0.000 2.065 1008 M HA -0.140 4.340 4.480 -0.000 0.000 0.259 1008 M C 2.177 178.517 176.300 0.067 0.000 1.069 1008 M CA 2.512 57.844 55.300 0.053 0.000 1.110 1008 M CB -0.719 31.881 32.600 0.001 0.000 1.328 1008 M HN 0.514 nan 8.290 nan 0.000 0.405 1009 G N -1.235 107.608 108.800 0.072 0.000 2.422 1009 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 1009 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 1009 G C 1.370 176.315 174.900 0.075 0.000 1.140 1009 G CA 0.916 46.054 45.100 0.064 0.000 0.775 1009 G HN 0.607 nan 8.290 nan 0.000 0.545 1010 G N 0.377 109.237 108.800 0.100 0.000 2.402 1010 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 1010 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 1010 G C 1.793 176.727 174.900 0.058 0.000 1.162 1010 G CA 0.895 46.043 45.100 0.080 0.000 0.777 1010 G HN 0.258 nan 8.290 nan 0.000 0.539 1011 M N 0.358 120.008 119.600 0.083 0.000 2.200 1011 M HA 0.044 4.524 4.480 -0.000 0.000 0.265 1011 M C 2.782 179.117 176.300 0.058 0.000 1.066 1011 M CA 0.653 55.998 55.300 0.075 0.000 1.127 1011 M CB -0.640 32.066 32.600 0.176 0.000 1.379 1011 M HN 0.117 nan 8.290 nan 0.000 0.420 1012 V N 0.174 120.124 119.914 0.060 0.000 2.343 1012 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 1012 V C 2.119 178.244 176.094 0.050 0.000 1.051 1012 V CA 2.138 64.467 62.300 0.048 0.000 1.036 1012 V CB -1.175 30.668 31.823 0.033 0.000 0.654 1012 V HN 0.470 nan 8.190 nan 0.000 0.451 1013 T N -0.373 114.207 114.554 0.043 0.000 3.088 1013 T HA 0.166 4.516 4.350 -0.000 0.000 0.259 1013 T C 1.859 176.588 174.700 0.048 0.000 1.122 1013 T CA 0.891 63.016 62.100 0.041 0.000 1.095 1013 T CB 0.007 68.892 68.868 0.029 0.000 0.930 1013 T HN 0.517 nan 8.240 nan 0.000 0.508 1014 A N 2.554 125.396 122.820 0.037 0.000 1.835 1014 A HA -0.041 4.279 4.320 -0.000 0.000 0.213 1014 A C 2.637 180.245 177.584 0.039 0.000 1.210 1014 A CA 1.861 53.911 52.037 0.021 0.000 0.605 1014 A CB -1.301 17.689 19.000 -0.015 0.000 0.860 1014 A HN 0.549 nan 8.150 nan 0.000 0.447 1015 T N -1.440 113.136 114.554 0.037 0.000 2.639 1015 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 1015 T C 0.993 175.766 174.700 0.123 0.000 1.053 1015 T CA 1.280 63.410 62.100 0.051 0.000 1.158 1015 T CB -1.265 67.615 68.868 0.021 0.000 0.863 1015 T HN 0.205 nan 8.240 nan 0.000 0.413 1016 V N 2.264 122.260 119.914 0.137 0.000 1.909 1016 V HA 0.414 4.533 4.120 -0.000 0.000 0.253 1016 V C 0.788 177.047 176.094 0.275 0.000 1.734 1016 V CA 0.455 62.893 62.300 0.229 0.000 1.661 1016 V CB -1.173 30.763 31.823 0.188 0.000 1.552 1016 V HN 0.514 nan 8.190 nan 0.000 0.506 1017 L N 0.351 121.759 121.223 0.308 0.000 1.998 1017 L HA 0.181 4.521 4.340 -0.000 0.000 0.230 1017 L C 1.863 178.891 176.870 0.264 0.000 1.211 1017 L CA 1.280 56.290 54.840 0.283 0.000 1.390 1017 L CB -0.622 41.522 42.059 0.142 0.000 2.641 1017 L HN 0.250 nan 8.230 nan 0.000 0.506 1018 A N 0.116 123.052 122.820 0.193 0.000 1.831 1018 A HA -0.038 4.282 4.320 -0.000 0.000 0.213 1018 A C 1.880 179.568 177.584 0.173 0.000 1.223 1018 A CA 1.720 53.837 52.037 0.132 0.000 0.604 1018 A CB -0.703 18.324 19.000 0.046 0.000 0.878 1018 A HN 0.346 nan 8.150 nan 0.000 0.450 1019 I N -1.727 118.949 120.570 0.177 0.000 2.194 1019 I HA -0.161 4.009 4.170 -0.000 0.000 0.246 1019 I C 1.549 178.016 176.117 0.584 0.000 1.093 1019 I CA 1.337 62.779 61.300 0.236 0.000 1.355 1019 I CB -0.082 38.006 38.000 0.147 0.000 1.046 1019 I HN 0.462 nan 8.210 nan 0.000 0.413 1020 F N -1.378 118.808 119.950 0.394 0.000 2.589 1020 F HA 0.152 4.679 4.527 -0.000 0.000 0.207 1020 F C 1.544 177.544 175.800 0.335 0.000 1.028 1020 F CA -0.874 57.368 58.000 0.403 0.000 1.009 1020 F CB -0.142 39.044 39.000 0.310 0.000 2.173 1020 F HN -0.064 nan 8.300 nan 0.000 0.637 1021 F N 0.843 120.704 119.950 -0.148 0.000 3.174 1021 F HA -0.359 4.168 4.527 -0.000 0.000 0.305 1021 F C 0.849 176.659 175.800 0.017 0.000 1.433 1021 F CA 1.260 59.148 58.000 -0.187 0.000 1.419 1021 F CB -1.673 37.255 39.000 -0.120 0.000 0.742 1021 F HN -0.088 nan 8.300 nan 0.000 0.634 1022 V N 2.391 122.461 119.914 0.260 0.000 2.963 1022 V HA 0.013 4.133 4.120 -0.000 0.000 0.306 1022 V C -1.240 174.896 176.094 0.069 0.000 1.077 1022 V CA -1.270 61.045 62.300 0.026 0.000 1.124 1022 V CB 0.882 32.764 31.823 0.099 0.000 0.987 1022 V HN 0.255 nan 8.190 nan 0.000 0.487 1023 P HA -0.271 nan 4.420 nan 0.000 0.259 1023 P C 0.732 178.170 177.300 0.231 0.000 1.200 1023 P CA 1.981 65.186 63.100 0.175 0.000 1.233 1023 P CB -0.214 31.437 31.700 -0.081 0.000 0.678 1024 V N -3.620 116.337 119.914 0.072 0.000 4.766 1024 V HA -0.271 3.849 4.120 -0.000 0.000 0.260 1024 V C 0.954 176.951 176.094 -0.161 0.000 0.542 1024 V CA 1.978 64.240 62.300 -0.063 0.000 0.766 1024 V CB -2.832 28.926 31.823 -0.108 0.000 0.697 1024 V HN 0.554 nan 8.190 nan 0.000 1.171 1025 F N -4.512 115.504 119.950 0.110 0.000 1.660 1025 F HA -0.005 4.521 4.527 -0.000 0.000 0.330 1025 F C 1.386 177.190 175.800 0.007 0.000 1.169 1025 F CA 0.219 58.250 58.000 0.052 0.000 1.240 1025 F CB -0.478 38.544 39.000 0.036 0.000 1.856 1025 F HN 0.091 nan 8.300 nan 0.000 0.202 1026 F N 1.811 121.866 119.950 0.175 0.000 2.216 1026 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 1026 F C 2.269 178.098 175.800 0.049 0.000 1.085 1026 F CA 1.826 59.864 58.000 0.063 0.000 1.326 1026 F CB -0.723 38.283 39.000 0.009 0.000 1.027 1026 F HN -0.099 nan 8.300 nan 0.000 0.497 1027 V N -1.128 118.912 119.914 0.210 0.000 2.214 1027 V HA -0.291 3.829 4.120 -0.000 0.000 0.244 1027 V C 2.303 178.458 176.094 0.102 0.000 1.045 1027 V CA 2.039 64.401 62.300 0.104 0.000 0.993 1027 V CB -1.822 30.026 31.823 0.041 0.000 0.633 1027 V HN 0.199 nan 8.190 nan 0.000 0.449 1028 V N -0.373 119.598 119.914 0.095 0.000 2.527 1028 V HA -0.233 3.887 4.120 -0.000 0.000 0.255 1028 V C 2.440 178.620 176.094 0.144 0.000 1.081 1028 V CA 2.089 64.432 62.300 0.071 0.000 1.092 1028 V CB -1.576 30.293 31.823 0.076 0.000 0.673 1028 V HN 0.394 nan 8.190 nan 0.000 0.470 1029 V N 1.870 121.915 119.914 0.217 0.000 2.261 1029 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 1029 V C 2.598 178.845 176.094 0.254 0.000 1.047 1029 V CA 2.727 65.204 62.300 0.295 0.000 1.015 1029 V CB -0.756 31.130 31.823 0.104 0.000 0.642 1029 V HN 0.703 nan 8.190 nan 0.000 0.446 1030 R N -0.461 120.130 120.500 0.152 0.000 2.359 1030 R HA 0.228 4.568 4.340 -0.000 0.000 0.231 1030 R C 1.780 178.113 176.300 0.056 0.000 0.913 1030 R CA 0.064 56.229 56.100 0.109 0.000 1.075 1030 R CB -0.009 30.349 30.300 0.097 0.000 1.087 1030 R HN 0.329 nan 8.270 nan 0.000 0.515 1031 R N -0.078 120.447 120.500 0.040 0.000 2.167 1031 R HA 0.250 4.589 4.340 -0.000 0.000 0.195 1031 R C 1.743 178.008 176.300 -0.058 0.000 1.027 1031 R CA -0.037 56.057 56.100 -0.010 0.000 1.114 1031 R CB -0.189 30.129 30.300 0.031 0.000 1.075 1031 R HN 0.012 nan 8.270 nan 0.000 0.538 1032 R N 0.522 120.932 120.500 -0.151 0.000 2.062 1032 R HA 0.106 4.446 4.340 -0.000 0.000 0.226 1032 R C 1.698 177.744 176.300 -0.423 0.000 1.125 1032 R CA 1.383 57.255 56.100 -0.380 0.000 0.966 1032 R CB -0.284 29.587 30.300 -0.715 0.000 0.861 1032 R HN 0.040 nan 8.270 nan 0.000 0.433 1033 F N 0.078 120.041 119.950 0.023 0.000 2.383 1033 F HA 0.041 4.568 4.527 -0.000 0.000 0.241 1033 F C 2.369 178.175 175.800 0.010 0.000 1.184 1033 F CA 0.892 58.901 58.000 0.014 0.000 0.992 1033 F CB -1.283 37.721 39.000 0.007 0.000 1.036 1033 F HN 0.141 nan 8.300 nan 0.000 0.605 1034 S N 1.205 117.056 115.700 0.252 0.000 4.149 1034 S HA -0.424 4.046 4.470 -0.000 0.000 0.536 1034 S C 1.629 176.284 174.600 0.091 0.000 1.562 1034 S CA 2.267 60.543 58.200 0.127 0.000 3.928 1034 S CB -1.389 61.861 63.200 0.083 0.000 1.486 1034 S HN 0.722 nan 8.310 nan 0.000 0.455 1035 R N 3.503 124.045 120.500 0.070 0.000 2.444 1035 R HA 0.424 4.764 4.340 -0.000 0.000 0.201 1035 R C 0.548 176.879 176.300 0.052 0.000 0.861 1035 R CA 1.073 57.204 56.100 0.052 0.000 1.034 1035 R CB 0.030 30.349 30.300 0.032 0.000 1.347 1035 R HN 0.881 nan 8.270 nan 0.000 0.659 1036 K N 0.000 120.426 120.400 0.043 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.307 56.287 0.033 0.000 0.838 1036 K CB 0.000 32.517 32.500 0.028 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543