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 2hqf_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 AKHPDMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWTGMSYQE RLSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAANAILIV 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 0.000 176.296 176.300 -0.006 0.000 2.045 7 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 7 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 8 R N 1.596 122.097 120.500 0.003 0.000 2.532 8 R HA 0.554 4.893 4.340 -0.002 0.000 0.272 8 R C -1.180 175.147 176.300 0.046 0.000 1.032 8 R CA -1.023 55.088 56.100 0.018 0.000 1.089 8 R CB 0.626 30.941 30.300 0.026 0.000 1.098 8 R HN 0.134 nan 8.270 nan 0.000 0.526 9 P HA -0.006 nan 4.420 nan 0.000 0.216 9 P C 1.100 178.473 177.300 0.122 0.000 1.154 9 P CA 0.531 63.637 63.100 0.011 0.000 0.857 9 P CB 0.105 31.747 31.700 -0.097 0.000 0.787 10 I N -1.114 119.551 120.570 0.159 0.000 2.399 10 I HA -0.230 3.939 4.170 -0.002 0.000 0.254 10 I C 2.213 178.476 176.117 0.244 0.000 1.146 10 I CA 1.218 62.654 61.300 0.227 0.000 1.412 10 I CB -0.678 37.431 38.000 0.182 0.000 1.076 10 I HN -0.210 nan 8.210 nan 0.000 0.432 11 F N 0.474 120.483 119.950 0.098 0.000 2.128 11 F HA -0.065 4.461 4.527 -0.002 0.000 0.295 11 F C 2.398 178.260 175.800 0.103 0.000 1.100 11 F CA 1.441 59.490 58.000 0.083 0.000 1.260 11 F CB -0.443 38.590 39.000 0.054 0.000 1.009 11 F HN 0.057 nan 8.300 nan 0.000 0.476 12 A N -0.774 122.217 122.820 0.284 0.000 1.930 12 A HA -0.237 4.082 4.320 -0.002 0.000 0.217 12 A C 1.863 179.572 177.584 0.209 0.000 1.175 12 A CA 1.289 53.446 52.037 0.200 0.000 0.627 12 A CB -1.579 17.524 19.000 0.172 0.000 0.815 12 A HN 0.646 nan 8.150 nan 0.000 0.443 13 W N 0.016 121.323 121.300 0.011 0.000 2.961 13 W HA 0.092 4.751 4.660 -0.002 0.000 0.240 13 W C 1.608 178.104 176.519 -0.039 0.000 1.305 13 W CA 0.716 58.058 57.345 -0.004 0.000 1.465 13 W CB -0.030 29.439 29.460 0.015 0.000 1.135 13 W HN 0.160 nan 8.180 nan 0.000 0.688 14 V N -0.419 119.532 119.914 0.060 0.000 3.085 14 V HA -0.149 3.971 4.120 -0.002 0.000 0.245 14 V C 2.111 178.137 176.094 -0.114 0.000 1.114 14 V CA 0.584 62.833 62.300 -0.085 0.000 1.108 14 V CB -0.216 31.509 31.823 -0.163 0.000 0.798 14 V HN -0.157 nan 8.190 nan 0.000 0.471 15 I N 1.409 121.907 120.570 -0.121 0.000 2.264 15 I HA -0.223 3.946 4.170 -0.002 0.000 0.248 15 I C 2.721 178.829 176.117 -0.015 0.000 1.111 15 I CA 2.001 63.252 61.300 -0.082 0.000 1.382 15 I CB -1.569 36.410 38.000 -0.034 0.000 1.060 15 I HN 0.316 nan 8.210 nan 0.000 0.418 16 A N 0.744 123.582 122.820 0.029 0.000 1.933 16 A HA -0.183 4.136 4.320 -0.002 0.000 0.218 16 A C 2.280 179.860 177.584 -0.007 0.000 1.175 16 A CA 1.425 53.486 52.037 0.040 0.000 0.628 16 A CB -0.695 18.371 19.000 0.111 0.000 0.814 16 A HN 0.305 nan 8.150 nan 0.000 0.444 17 I N -0.070 120.473 120.570 -0.045 0.000 2.315 17 I HA -0.194 3.975 4.170 -0.002 0.000 0.248 17 I C 2.193 178.285 176.117 -0.042 0.000 1.117 17 I CA 0.956 62.217 61.300 -0.065 0.000 1.404 17 I CB -0.251 37.687 38.000 -0.103 0.000 1.071 17 I HN 0.330 nan 8.210 nan 0.000 0.419 18 I N -0.128 120.418 120.570 -0.041 0.000 2.179 18 I HA -0.275 3.894 4.170 -0.002 0.000 0.242 18 I C 2.107 178.221 176.117 -0.004 0.000 1.088 18 I CA 1.061 62.346 61.300 -0.026 0.000 1.357 18 I CB -0.411 37.569 38.000 -0.034 0.000 1.051 18 I HN 0.088 nan 8.210 nan 0.000 0.409 19 I N -0.070 120.500 120.570 0.001 0.000 2.614 19 I HA -0.226 3.943 4.170 -0.002 0.000 0.258 19 I C 2.394 178.524 176.117 0.022 0.000 1.189 19 I CA 1.567 62.874 61.300 0.013 0.000 1.462 19 I CB -0.915 37.090 38.000 0.009 0.000 1.092 19 I HN 0.329 nan 8.210 nan 0.000 0.442 20 M N 0.189 119.798 119.600 0.015 0.000 2.098 20 M HA -0.085 4.394 4.480 -0.002 0.000 0.262 20 M C 1.979 178.299 176.300 0.033 0.000 1.072 20 M CA 1.614 56.928 55.300 0.023 0.000 1.133 20 M CB -0.114 32.485 32.600 -0.002 0.000 1.344 20 M HN -0.001 nan 8.290 nan 0.000 0.414 21 L N -0.414 120.817 121.223 0.014 0.000 2.156 21 L HA -0.002 4.337 4.340 -0.002 0.000 0.208 21 L C 2.486 179.374 176.870 0.029 0.000 1.095 21 L CA 1.651 56.498 54.840 0.013 0.000 0.770 21 L CB -1.791 40.265 42.059 -0.005 0.000 0.914 21 L HN 0.393 nan 8.230 nan 0.000 0.439 22 A N -0.103 122.738 122.820 0.036 0.000 1.898 22 A HA -0.053 4.266 4.320 -0.002 0.000 0.216 22 A C 2.345 179.980 177.584 0.084 0.000 1.181 22 A CA 1.555 53.621 52.037 0.050 0.000 0.620 22 A CB -0.896 18.131 19.000 0.045 0.000 0.819 22 A HN 0.405 nan 8.150 nan 0.000 0.442 23 G N -0.967 107.901 108.800 0.114 0.000 2.464 23 G HA2 0.168 4.127 3.960 -0.002 0.000 0.217 23 G HA3 0.168 4.127 3.960 -0.002 0.000 0.217 23 G C 1.379 176.405 174.900 0.210 0.000 1.138 23 G CA 1.049 46.282 45.100 0.221 0.000 0.793 23 G HN 0.667 nan 8.290 nan 0.000 0.539 24 G N 0.381 109.251 108.800 0.118 0.000 2.448 24 G HA2 -0.042 3.917 3.960 -0.002 0.000 0.218 24 G HA3 -0.042 3.917 3.960 -0.002 0.000 0.218 24 G C 1.483 176.393 174.900 0.017 0.000 1.135 24 G CA 0.215 45.348 45.100 0.055 0.000 0.784 24 G HN 0.316 nan 8.290 nan 0.000 0.543 25 L N 0.413 121.654 121.223 0.029 0.000 2.375 25 L HA 0.267 4.606 4.340 -0.002 0.000 0.215 25 L C 2.884 179.764 176.870 0.016 0.000 1.108 25 L CA 1.226 56.075 54.840 0.014 0.000 0.830 25 L CB -0.520 41.549 42.059 0.017 0.000 0.959 25 L HN 0.320 nan 8.230 nan 0.000 0.457 26 A N -0.698 122.149 122.820 0.045 0.000 2.123 26 A HA -0.072 4.247 4.320 -0.002 0.000 0.214 26 A C 2.040 179.617 177.584 -0.011 0.000 1.152 26 A CA 0.452 52.524 52.037 0.058 0.000 0.728 26 A CB -0.224 18.859 19.000 0.139 0.000 0.814 26 A HN 0.249 nan 8.150 nan 0.000 0.464 27 I N -0.830 119.680 120.570 -0.100 0.000 3.111 27 I HA -0.005 4.164 4.170 -0.002 0.000 0.272 27 I C 1.156 177.180 176.117 -0.155 0.000 1.268 27 I CA 0.569 61.708 61.300 -0.268 0.000 1.467 27 I CB -0.024 37.721 38.000 -0.425 0.000 1.087 27 I HN 0.171 nan 8.210 nan 0.000 0.467 28 L N 0.557 121.730 121.223 -0.083 0.000 2.737 28 L HA -0.002 4.337 4.340 -0.002 0.000 0.246 28 L C 1.702 178.545 176.870 -0.044 0.000 1.153 28 L CA 0.765 55.571 54.840 -0.057 0.000 0.920 28 L CB -0.831 41.207 42.059 -0.035 0.000 1.090 28 L HN -0.000 nan 8.230 nan 0.000 0.430 29 K N 0.166 120.537 120.400 -0.048 0.000 2.551 29 K HA 0.089 4.408 4.320 -0.002 0.000 0.192 29 K C 0.617 177.193 176.600 -0.039 0.000 1.027 29 K CA -0.080 56.189 56.287 -0.030 0.000 1.059 29 K CB -0.416 32.077 32.500 -0.012 0.000 0.831 29 K HN 0.300 nan 8.250 nan 0.000 0.508 30 L N 3.242 124.431 121.223 -0.057 0.000 2.540 30 L HA 0.042 4.381 4.340 -0.002 0.000 0.276 30 L C -2.202 174.644 176.870 -0.039 0.000 1.212 30 L CA -0.884 53.923 54.840 -0.055 0.000 0.893 30 L CB 0.182 42.202 42.059 -0.065 0.000 1.138 30 L HN -0.074 nan 8.230 nan 0.000 0.491 31 P HA 0.234 nan 4.420 nan 0.000 0.293 31 P C -1.039 176.241 177.300 -0.034 0.000 1.300 31 P CA -0.364 62.712 63.100 -0.039 0.000 0.792 31 P CB 1.491 33.170 31.700 -0.035 0.000 0.925 32 V N 2.889 122.778 119.914 -0.042 0.000 2.488 32 V HA 0.433 4.552 4.120 -0.002 0.000 0.277 32 V C 0.987 177.061 176.094 -0.034 0.000 1.046 32 V CA -0.763 61.518 62.300 -0.031 0.000 0.986 32 V CB 0.453 32.256 31.823 -0.034 0.000 0.989 32 V HN 0.745 nan 8.190 nan 0.000 0.475 33 A N 4.125 126.933 122.820 -0.020 0.000 2.407 33 A HA 0.330 4.649 4.320 -0.002 0.000 0.248 33 A C 1.232 178.778 177.584 -0.063 0.000 1.082 33 A CA -0.049 51.971 52.037 -0.028 0.000 0.785 33 A CB 0.318 19.321 19.000 0.004 0.000 1.020 33 A HN 1.013 nan 8.150 nan 0.000 0.489 34 Q N 1.511 121.228 119.800 -0.139 0.000 1.927 34 Q HA -0.174 4.165 4.340 -0.002 0.000 0.210 34 Q C -0.085 175.757 176.000 -0.265 0.000 1.001 34 Q CA 1.476 57.105 55.803 -0.289 0.000 0.862 34 Q CB -0.682 27.759 28.738 -0.495 0.000 0.934 34 Q HN 0.741 nan 8.270 nan 0.000 0.420 35 Y N 1.725 122.057 120.300 0.054 0.000 2.260 35 Y HA 0.259 4.809 4.550 -0.002 0.000 0.339 35 Y C -1.799 174.108 175.900 0.012 0.000 1.317 35 Y CA -2.136 55.979 58.100 0.025 0.000 1.514 35 Y CB -0.251 38.227 38.460 0.031 0.000 1.382 35 Y HN 0.157 nan 8.280 nan 0.000 0.581 36 P HA -0.189 nan 4.420 nan 0.000 0.198 36 P C -1.072 176.284 177.300 0.093 0.000 0.991 36 P CA 0.368 63.529 63.100 0.101 0.000 0.813 36 P CB -0.330 31.407 31.700 0.062 0.000 0.744 37 T N 5.057 119.648 114.554 0.062 0.000 2.769 37 T HA 0.161 4.510 4.350 -0.002 0.000 0.293 37 T C 1.902 176.611 174.700 0.015 0.000 0.931 37 T CA -0.297 61.829 62.100 0.043 0.000 1.139 37 T CB 0.102 68.997 68.868 0.045 0.000 0.881 37 T HN 0.235 nan 8.240 nan 0.000 0.532 38 I N 1.301 121.864 120.570 -0.012 0.000 2.927 38 I HA 0.235 4.404 4.170 -0.002 0.000 0.268 38 I C 1.556 177.680 176.117 0.012 0.000 1.153 38 I CA -0.042 61.248 61.300 -0.017 0.000 1.459 38 I CB -1.259 36.702 38.000 -0.066 0.000 1.149 38 I HN 0.497 nan 8.210 nan 0.000 0.443 39 A N 5.095 127.919 122.820 0.007 0.000 2.545 39 A HA 0.216 4.535 4.320 -0.002 0.000 0.253 39 A C -2.017 175.596 177.584 0.048 0.000 1.074 39 A CA -0.695 51.356 52.037 0.024 0.000 0.760 39 A CB -1.074 17.937 19.000 0.018 0.000 1.005 39 A HN 0.139 nan 8.150 nan 0.000 0.506 40 P HA 0.146 nan 4.420 nan 0.000 0.261 40 P C -2.569 174.777 177.300 0.077 0.000 1.203 40 P CA -0.863 62.281 63.100 0.073 0.000 0.767 40 P CB -0.318 31.425 31.700 0.071 0.000 0.785 41 P HA -0.005 nan 4.420 nan 0.000 0.261 41 P C -0.337 177.060 177.300 0.162 0.000 1.165 41 P CA 0.781 63.944 63.100 0.106 0.000 0.759 41 P CB 0.210 31.957 31.700 0.078 0.000 0.772 42 A N 3.852 126.741 122.820 0.115 0.000 2.293 42 A HA 0.461 4.781 4.320 -0.002 0.000 0.312 42 A C -0.575 177.082 177.584 0.121 0.000 1.309 42 A CA -0.520 51.588 52.037 0.117 0.000 0.839 42 A CB 0.463 19.511 19.000 0.080 0.000 1.155 42 A HN 0.332 nan 8.150 nan 0.000 0.501 43 V N 3.253 123.280 119.914 0.188 0.000 2.347 43 V HA 0.453 4.572 4.120 -0.002 0.000 0.280 43 V C 0.109 176.273 176.094 0.117 0.000 1.021 43 V CA -0.117 62.277 62.300 0.158 0.000 0.847 43 V CB 1.390 33.362 31.823 0.249 0.000 0.990 43 V HN 0.875 nan 8.190 nan 0.000 0.444 44 T N 6.522 121.123 114.554 0.080 0.000 2.797 44 T HA 0.707 5.056 4.350 -0.002 0.000 0.279 44 T C -0.292 174.440 174.700 0.052 0.000 0.991 44 T CA -0.236 61.903 62.100 0.064 0.000 0.979 44 T CB 1.306 70.211 68.868 0.062 0.000 0.943 44 T HN 0.384 nan 8.240 nan 0.000 0.444 45 I N 2.678 123.275 120.570 0.045 0.000 2.412 45 I HA 0.580 4.749 4.170 -0.002 0.000 0.296 45 I C 0.203 176.341 176.117 0.034 0.000 0.987 45 I CA -0.671 60.650 61.300 0.035 0.000 1.180 45 I CB 1.731 39.748 38.000 0.028 0.000 1.340 45 I HN 0.665 nan 8.210 nan 0.000 0.455 46 S N 4.080 119.799 115.700 0.032 0.000 2.571 46 S HA 0.931 5.400 4.470 -0.002 0.000 0.284 46 S C -0.839 173.780 174.600 0.032 0.000 1.128 46 S CA -0.743 57.478 58.200 0.034 0.000 0.970 46 S CB 2.042 65.264 63.200 0.037 0.000 1.039 46 S HN 0.887 nan 8.310 nan 0.000 0.485 47 A N 1.395 124.237 122.820 0.036 0.000 2.435 47 A HA 0.899 5.219 4.320 -0.002 0.000 0.304 47 A C -0.514 177.109 177.584 0.064 0.000 1.064 47 A CA -0.798 51.262 52.037 0.039 0.000 0.727 47 A CB 1.965 20.978 19.000 0.023 0.000 1.284 47 A HN 1.114 nan 8.150 nan 0.000 0.415 48 S N 0.662 116.412 115.700 0.083 0.000 2.659 48 S HA 0.546 5.015 4.470 -0.002 0.000 0.312 48 S C -1.506 173.213 174.600 0.198 0.000 1.114 48 S CA -0.267 58.005 58.200 0.121 0.000 1.063 48 S CB 0.427 63.690 63.200 0.105 0.000 0.996 48 S HN 0.679 nan 8.310 nan 0.000 0.478 49 Y N 7.469 127.794 120.300 0.042 0.000 2.721 49 Y HA 0.420 4.969 4.550 -0.001 0.000 0.328 49 Y C -2.328 173.608 175.900 0.060 0.000 1.003 49 Y CA -2.834 55.293 58.100 0.046 0.000 1.275 49 Y CB 1.079 39.558 38.460 0.031 0.000 1.097 49 Y HN 0.491 nan 8.280 nan 0.000 0.514 50 P HA 0.128 nan 4.420 nan 0.000 0.271 50 P C 0.708 177.962 177.300 -0.078 0.000 1.216 50 P CA 1.403 64.536 63.100 0.055 0.000 0.771 50 P CB 1.518 33.316 31.700 0.163 0.000 0.864 51 G N 1.998 110.758 108.800 -0.067 0.000 2.320 51 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.242 51 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.242 51 G C 0.405 175.211 174.900 -0.157 0.000 1.033 51 G CA 0.148 45.202 45.100 -0.078 0.000 0.620 51 G HN 0.892 nan 8.290 nan 0.000 0.517 52 A N 1.396 124.021 122.820 -0.324 0.000 2.371 52 A HA 0.550 4.869 4.320 -0.002 0.000 0.257 52 A C 0.679 178.180 177.584 -0.138 0.000 1.089 52 A CA 0.513 52.347 52.037 -0.338 0.000 0.794 52 A CB 0.243 18.814 19.000 -0.713 0.000 1.029 52 A HN 0.742 nan 8.150 nan 0.000 0.488 53 D N 1.103 121.456 120.400 -0.078 0.000 2.414 53 D HA 0.333 4.972 4.640 -0.002 0.000 0.251 53 D C 1.122 177.424 176.300 0.004 0.000 1.252 53 D CA 0.155 54.143 54.000 -0.021 0.000 0.999 53 D CB 0.971 41.767 40.800 -0.007 0.000 1.093 53 D HN 0.394 nan 8.370 nan 0.000 0.515 54 A N 0.110 122.940 122.820 0.018 0.000 1.930 54 A HA -0.200 4.119 4.320 -0.002 0.000 0.217 54 A C 2.127 179.721 177.584 0.016 0.000 1.175 54 A CA 1.943 53.992 52.037 0.020 0.000 0.627 54 A CB -0.668 18.344 19.000 0.019 0.000 0.815 54 A HN 0.684 nan 8.150 nan 0.000 0.443 55 K N -0.894 119.516 120.400 0.016 0.000 2.097 55 K HA -0.091 4.228 4.320 -0.002 0.000 0.205 55 K C 1.956 178.575 176.600 0.031 0.000 1.050 55 K CA 1.706 58.002 56.287 0.015 0.000 0.938 55 K CB -0.241 32.272 32.500 0.023 0.000 0.718 55 K HN 0.437 nan 8.250 nan 0.000 0.442 56 T N 0.797 115.376 114.554 0.042 0.000 2.668 56 T HA -0.130 4.219 4.350 -0.002 0.000 0.262 56 T C 1.802 176.572 174.700 0.116 0.000 1.045 56 T CA 1.726 63.872 62.100 0.076 0.000 1.152 56 T CB -0.320 68.589 68.868 0.069 0.000 0.864 56 T HN 0.269 nan 8.240 nan 0.000 0.419 57 V N 0.633 120.621 119.914 0.124 0.000 2.720 57 V HA -0.148 3.971 4.120 -0.002 0.000 0.256 57 V C 2.256 178.400 176.094 0.083 0.000 1.082 57 V CA 1.721 64.112 62.300 0.153 0.000 1.101 57 V CB -0.954 30.956 31.823 0.145 0.000 0.693 57 V HN 0.424 nan 8.190 nan 0.000 0.479 58 Q N 0.385 120.215 119.800 0.051 0.000 2.049 58 Q HA -0.191 4.148 4.340 -0.002 0.000 0.198 58 Q C 1.865 177.879 176.000 0.024 0.000 0.971 58 Q CA 2.099 57.918 55.803 0.026 0.000 0.833 58 Q CB -0.007 28.734 28.738 0.004 0.000 0.896 58 Q HN 0.715 nan 8.270 nan 0.000 0.434 59 D N -0.836 119.583 120.400 0.031 0.000 2.213 59 D HA -0.066 4.573 4.640 -0.002 0.000 0.205 59 D C 1.482 177.796 176.300 0.023 0.000 0.961 59 D CA 1.168 55.183 54.000 0.024 0.000 0.853 59 D CB -0.057 40.759 40.800 0.027 0.000 0.967 59 D HN 0.142 nan 8.370 nan 0.000 0.496 60 T N -1.090 113.488 114.554 0.039 0.000 3.051 60 T HA 0.106 4.455 4.350 -0.002 0.000 0.255 60 T C 1.416 176.104 174.700 -0.019 0.000 1.085 60 T CA 0.419 62.529 62.100 0.016 0.000 1.109 60 T CB 0.221 69.116 68.868 0.045 0.000 0.921 60 T HN -0.104 nan 8.240 nan 0.000 0.488 61 V N -0.180 119.736 119.914 0.003 0.000 3.054 61 V HA 0.088 4.207 4.120 -0.002 0.000 0.227 61 V C 2.606 178.700 176.094 -0.001 0.000 1.252 61 V CA 1.001 63.294 62.300 -0.012 0.000 1.279 61 V CB -0.349 31.475 31.823 0.002 0.000 1.118 61 V HN 0.292 nan 8.190 nan 0.000 0.504 62 T N 0.230 114.792 114.554 0.014 0.000 2.652 62 T HA -0.277 4.072 4.350 -0.002 0.000 0.267 62 T C 1.843 176.544 174.700 0.001 0.000 1.039 62 T CA 2.022 64.128 62.100 0.010 0.000 1.153 62 T CB -0.282 68.595 68.868 0.015 0.000 0.863 62 T HN 0.409 nan 8.240 nan 0.000 0.428 63 Q N 0.226 120.027 119.800 0.001 0.000 2.170 63 Q HA -0.056 4.283 4.340 -0.002 0.000 0.203 63 Q C 2.571 178.566 176.000 -0.009 0.000 0.976 63 Q CA 1.010 56.811 55.803 -0.004 0.000 0.858 63 Q CB -0.317 28.421 28.738 -0.001 0.000 0.907 63 Q HN 0.392 nan 8.270 nan 0.000 0.433 64 V N 0.548 120.455 119.914 -0.011 0.000 2.548 64 V HA -0.217 3.902 4.120 -0.002 0.000 0.249 64 V C 1.992 178.076 176.094 -0.016 0.000 1.055 64 V CA 1.382 63.672 62.300 -0.016 0.000 1.065 64 V CB -0.370 31.439 31.823 -0.023 0.000 0.681 64 V HN 0.322 nan 8.190 nan 0.000 0.462 65 I N -0.181 120.380 120.570 -0.014 0.000 2.333 65 I HA -0.131 4.038 4.170 -0.002 0.000 0.246 65 I C 2.523 178.631 176.117 -0.015 0.000 1.106 65 I CA 1.206 62.498 61.300 -0.012 0.000 1.411 65 I CB -0.333 37.662 38.000 -0.008 0.000 1.082 65 I HN 0.285 nan 8.210 nan 0.000 0.420 66 E N 0.632 120.823 120.200 -0.016 0.000 2.051 66 E HA -0.304 4.045 4.350 -0.002 0.000 0.192 66 E C 2.112 178.696 176.600 -0.027 0.000 0.991 66 E CA 1.180 57.565 56.400 -0.024 0.000 0.799 66 E CB -0.111 29.575 29.700 -0.023 0.000 0.748 66 E HN 0.432 nan 8.360 nan 0.000 0.449 67 Q N 0.385 120.172 119.800 -0.021 0.000 2.437 67 Q HA -0.084 4.255 4.340 -0.002 0.000 0.210 67 Q C 0.621 176.609 176.000 -0.019 0.000 0.972 67 Q CA 0.610 56.401 55.803 -0.020 0.000 0.903 67 Q CB 0.068 28.796 28.738 -0.016 0.000 0.967 67 Q HN 0.082 nan 8.270 nan 0.000 0.486 68 N N -0.521 118.168 118.700 -0.018 0.000 2.380 68 N HA 0.116 4.856 4.740 -0.002 0.000 0.255 68 N C -1.011 174.490 175.510 -0.015 0.000 1.158 68 N CA -0.155 52.886 53.050 -0.015 0.000 0.878 68 N CB 0.419 38.897 38.487 -0.014 0.000 1.138 68 N HN 0.021 nan 8.380 nan 0.000 0.509 69 M N 1.296 120.883 119.600 -0.021 0.000 2.386 69 M HA 0.296 4.775 4.480 -0.002 0.000 0.245 69 M C -1.313 174.970 176.300 -0.029 0.000 0.982 69 M CA -0.192 55.093 55.300 -0.025 0.000 0.860 69 M CB 0.028 32.605 32.600 -0.038 0.000 1.371 69 M HN 0.057 nan 8.290 nan 0.000 0.425 70 N N 0.001 118.690 118.700 -0.018 0.000 2.295 70 N HA 0.657 5.396 4.740 -0.002 0.000 0.293 70 N C 0.322 175.827 175.510 -0.007 0.000 1.040 70 N CA -0.382 52.657 53.050 -0.017 0.000 0.840 70 N CB 1.978 40.456 38.487 -0.016 0.000 1.468 70 N HN 0.691 nan 8.380 nan 0.000 0.478 71 G N 1.330 110.126 108.800 -0.007 0.000 2.303 71 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.260 71 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.260 71 G C -0.635 174.277 174.900 0.020 0.000 1.106 71 G CA -0.425 44.677 45.100 0.004 0.000 0.900 71 G HN 0.452 nan 8.290 nan 0.000 0.495 72 I N 1.087 121.672 120.570 0.026 0.000 2.304 72 I HA 0.266 4.435 4.170 -0.002 0.000 0.291 72 I C 0.049 176.226 176.117 0.099 0.000 1.018 72 I CA -1.074 60.272 61.300 0.076 0.000 1.260 72 I CB 1.123 39.181 38.000 0.097 0.000 1.390 72 I HN 0.028 nan 8.210 nan 0.000 0.475 73 D N 8.379 128.845 120.400 0.109 0.000 2.455 73 D HA -0.014 4.625 4.640 -0.002 0.000 0.265 73 D C 0.127 176.533 176.300 0.177 0.000 1.284 73 D CA 0.698 54.758 54.000 0.100 0.000 0.944 73 D CB -0.112 40.726 40.800 0.064 0.000 1.121 73 D HN 0.583 nan 8.370 nan 0.000 0.525 74 N N 0.837 119.612 118.700 0.125 0.000 4.707 74 N HA -0.176 4.564 4.740 -0.002 0.000 0.346 74 N C -0.504 175.048 175.510 0.070 0.000 1.724 74 N CA 0.712 53.844 53.050 0.137 0.000 2.904 74 N CB -0.211 38.397 38.487 0.201 0.000 0.410 74 N HN 0.622 nan 8.380 nan 0.000 0.805 75 L N -2.098 119.062 121.223 -0.105 0.000 4.283 75 L HA 0.162 4.501 4.340 -0.002 0.000 0.228 75 L C 0.125 176.838 176.870 -0.262 0.000 1.034 75 L CA -0.972 53.620 54.840 -0.414 0.000 0.996 75 L CB 0.399 42.091 42.059 -0.613 0.000 1.535 75 L HN 0.713 nan 8.230 nan 0.000 0.384 76 M N 1.071 120.474 119.600 -0.329 0.000 2.657 76 M HA 0.403 4.882 4.480 -0.002 0.000 0.262 76 M C -0.001 176.262 176.300 -0.061 0.000 1.213 76 M CA 0.539 55.746 55.300 -0.155 0.000 1.182 76 M CB 0.144 32.710 32.600 -0.056 0.000 1.303 76 M HN 0.702 nan 8.290 nan 0.000 0.501 77 Y N 0.177 120.366 120.300 -0.185 0.000 2.750 77 Y HA 0.746 5.295 4.550 -0.001 0.000 0.335 77 Y C -1.395 174.326 175.900 -0.299 0.000 1.252 77 Y CA -2.489 55.444 58.100 -0.278 0.000 1.064 77 Y CB 0.761 39.077 38.460 -0.241 0.000 1.321 77 Y HN 0.139 nan 8.280 nan 0.000 0.451 78 M N 0.994 120.496 119.600 -0.162 0.000 2.446 78 M HA 0.900 5.379 4.480 -0.002 0.000 0.294 78 M C -1.742 174.518 176.300 -0.066 0.000 1.158 78 M CA -0.614 54.619 55.300 -0.112 0.000 0.899 78 M CB 2.586 35.098 32.600 -0.147 0.000 1.687 78 M HN 0.554 nan 8.290 nan 0.000 0.455 79 S N 1.020 116.765 115.700 0.075 0.000 2.704 79 S HA 0.890 5.359 4.470 -0.002 0.000 0.305 79 S C -0.724 173.925 174.600 0.082 0.000 1.107 79 S CA -0.694 57.589 58.200 0.140 0.000 0.993 79 S CB 2.189 65.514 63.200 0.208 0.000 1.110 79 S HN 0.788 nan 8.310 nan 0.000 0.534 80 S N 0.376 116.128 115.700 0.087 0.000 2.607 80 S HA 0.535 5.004 4.470 -0.002 0.000 0.273 80 S C -0.022 174.611 174.600 0.054 0.000 1.148 80 S CA -0.757 57.477 58.200 0.057 0.000 0.833 80 S CB 1.641 64.864 63.200 0.038 0.000 1.130 80 S HN 0.680 nan 8.310 nan 0.000 0.470 81 N N 0.823 119.547 118.700 0.041 0.000 2.802 81 N HA 0.090 4.829 4.740 -0.002 0.000 0.254 81 N C -0.634 174.891 175.510 0.024 0.000 1.012 81 N CA 1.142 54.214 53.050 0.036 0.000 0.986 81 N CB -0.151 38.359 38.487 0.039 0.000 1.711 81 N HN 0.927 nan 8.380 nan 0.000 0.581 82 S N 2.006 117.722 115.700 0.026 0.000 3.305 82 S HA -0.155 4.314 4.470 -0.002 0.000 0.392 82 S C -0.714 173.899 174.600 0.022 0.000 0.833 82 S CA 0.305 58.521 58.200 0.026 0.000 1.355 82 S CB -1.584 61.628 63.200 0.020 0.000 1.105 82 S HN 0.204 nan 8.310 nan 0.000 0.614 83 D N 2.208 122.624 120.400 0.026 0.000 2.388 83 D HA 0.416 5.055 4.640 -0.002 0.000 0.254 83 D C 1.224 177.540 176.300 0.025 0.000 1.111 83 D CA -0.590 53.424 54.000 0.023 0.000 0.993 83 D CB 1.230 42.039 40.800 0.016 0.000 1.118 83 D HN 0.420 nan 8.370 nan 0.000 0.502 84 S N -0.593 115.124 115.700 0.028 0.000 2.423 84 S HA -0.116 4.353 4.470 -0.002 0.000 0.231 84 S C 1.865 176.478 174.600 0.023 0.000 1.014 84 S CA 1.351 59.568 58.200 0.030 0.000 0.965 84 S CB -0.155 63.072 63.200 0.044 0.000 0.785 84 S HN 0.630 nan 8.310 nan 0.000 0.495 85 T N -1.121 113.446 114.554 0.022 0.000 3.051 85 T HA 0.179 4.528 4.350 -0.002 0.000 0.269 85 T C 1.410 176.120 174.700 0.018 0.000 1.127 85 T CA 0.954 63.066 62.100 0.019 0.000 1.107 85 T CB -0.408 68.468 68.868 0.013 0.000 0.898 85 T HN 0.574 nan 8.240 nan 0.000 0.517 86 G N 1.410 110.222 108.800 0.021 0.000 2.164 86 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.212 86 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.212 86 G C 0.023 174.966 174.900 0.071 0.000 1.031 86 G CA -0.041 45.079 45.100 0.034 0.000 0.730 86 G HN 1.207 nan 8.290 nan 0.000 0.501 87 T N -2.956 111.630 114.554 0.052 0.000 2.861 87 T HA 0.771 5.120 4.350 -0.002 0.000 0.287 87 T C -0.573 174.153 174.700 0.044 0.000 1.003 87 T CA -0.422 61.708 62.100 0.050 0.000 0.977 87 T CB 2.997 71.881 68.868 0.028 0.000 0.996 87 T HN 1.495 nan 8.240 nan 0.000 0.448 88 V N 2.236 122.178 119.914 0.047 0.000 2.709 88 V HA 0.612 4.732 4.120 -0.002 0.000 0.308 88 V C -1.666 174.450 176.094 0.037 0.000 1.062 88 V CA -0.567 61.757 62.300 0.040 0.000 0.901 88 V CB 2.129 33.977 31.823 0.043 0.000 1.003 88 V HN 1.059 nan 8.190 nan 0.000 0.425 89 Q N 5.969 125.791 119.800 0.037 0.000 2.321 89 Q HA 0.623 4.962 4.340 -0.002 0.000 0.270 89 Q C -1.325 174.701 176.000 0.043 0.000 1.032 89 Q CA -0.434 55.394 55.803 0.041 0.000 0.784 89 Q CB 2.843 31.609 28.738 0.047 0.000 1.264 89 Q HN 0.730 nan 8.270 nan 0.000 0.448 90 I N 2.096 122.689 120.570 0.038 0.000 2.382 90 I HA 0.300 4.469 4.170 -0.002 0.000 0.286 90 I C -0.505 175.634 176.117 0.036 0.000 1.002 90 I CA -0.457 60.862 61.300 0.032 0.000 1.135 90 I CB 1.904 39.914 38.000 0.016 0.000 1.288 90 I HN 0.453 nan 8.210 nan 0.000 0.448 91 T N 7.226 121.807 114.554 0.045 0.000 2.770 91 T HA 0.448 4.797 4.350 -0.002 0.000 0.297 91 T C -0.194 174.504 174.700 -0.005 0.000 0.997 91 T CA -0.444 61.684 62.100 0.047 0.000 0.949 91 T CB 0.660 69.576 68.868 0.081 0.000 0.941 91 T HN 0.157 nan 8.240 nan 0.000 0.457 92 L N 4.210 125.411 121.223 -0.038 0.000 2.283 92 L HA 0.295 4.634 4.340 -0.002 0.000 0.287 92 L C 0.765 177.465 176.870 -0.283 0.000 1.073 92 L CA 0.110 54.822 54.840 -0.213 0.000 0.822 92 L CB 0.462 42.383 42.059 -0.230 0.000 1.186 92 L HN 0.607 nan 8.230 nan 0.000 0.436 93 T N 3.975 118.257 114.554 -0.453 0.000 2.771 93 T HA 0.501 4.850 4.350 -0.002 0.000 0.291 93 T C -0.124 174.251 174.700 -0.542 0.000 0.954 93 T CA -0.173 61.672 62.100 -0.424 0.000 1.045 93 T CB 0.299 68.779 68.868 -0.646 0.000 0.917 93 T HN 0.034 nan 8.240 nan 0.000 0.484 94 F N 0.874 120.715 119.950 -0.181 0.000 2.509 94 F HA 0.491 5.017 4.527 -0.001 0.000 0.334 94 F C 0.940 176.688 175.800 -0.087 0.000 1.060 94 F CA -1.405 56.523 58.000 -0.121 0.000 0.997 94 F CB 0.806 39.764 39.000 -0.069 0.000 1.271 94 F HN 0.343 nan 8.300 nan 0.000 0.488 95 E N 0.043 120.338 120.200 0.158 0.000 2.384 95 E HA 0.067 4.416 4.350 -0.002 0.000 0.266 95 E C -0.277 176.388 176.600 0.108 0.000 1.012 95 E CA 0.041 56.500 56.400 0.099 0.000 0.901 95 E CB 0.674 30.424 29.700 0.084 0.000 0.967 95 E HN 0.378 nan 8.360 nan 0.000 0.435 96 S N 2.613 118.371 115.700 0.097 0.000 2.560 96 S HA 0.318 4.787 4.470 -0.002 0.000 0.323 96 S C 0.870 175.532 174.600 0.102 0.000 1.191 96 S CA 0.842 59.102 58.200 0.100 0.000 1.231 96 S CB -0.928 62.340 63.200 0.114 0.000 1.224 96 S HN 0.703 nan 8.310 nan 0.000 0.545 97 G N 2.965 111.815 108.800 0.083 0.000 2.672 97 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.197 97 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.197 97 G C 0.171 175.099 174.900 0.046 0.000 0.995 97 G CA -0.068 45.078 45.100 0.075 0.000 0.754 97 G HN 1.045 nan 8.290 nan 0.000 0.505 98 T N -0.233 114.343 114.554 0.036 0.000 2.918 98 T HA 0.435 4.784 4.350 -0.002 0.000 0.302 98 T C -0.050 174.612 174.700 -0.064 0.000 1.045 98 T CA 0.281 62.377 62.100 -0.007 0.000 1.114 98 T CB 1.896 70.764 68.868 0.000 0.000 0.965 98 T HN 0.113 nan 8.240 nan 0.000 0.540 99 D N 1.468 121.818 120.400 -0.084 0.000 2.368 99 D HA 0.281 4.920 4.640 -0.002 0.000 0.268 99 D C 1.179 177.379 176.300 -0.167 0.000 1.298 99 D CA 0.061 54.005 54.000 -0.095 0.000 0.938 99 D CB 0.204 40.959 40.800 -0.074 0.000 1.101 99 D HN 0.703 nan 8.370 nan 0.000 0.509 100 A N 4.006 126.744 122.820 -0.136 0.000 2.216 100 A HA -0.131 4.188 4.320 -0.002 0.000 0.214 100 A C 1.627 179.125 177.584 -0.142 0.000 1.160 100 A CA 0.894 52.835 52.037 -0.161 0.000 0.725 100 A CB 0.025 18.973 19.000 -0.086 0.000 0.784 100 A HN 0.577 nan 8.150 nan 0.000 0.472 101 D N -0.839 119.494 120.400 -0.112 0.000 2.262 101 D HA 0.048 4.687 4.640 -0.002 0.000 0.212 101 D C 1.707 177.947 176.300 -0.099 0.000 0.964 101 D CA 0.545 54.493 54.000 -0.086 0.000 0.875 101 D CB 0.025 40.792 40.800 -0.056 0.000 0.996 101 D HN 0.500 nan 8.370 nan 0.000 0.497 102 I N 0.882 121.379 120.570 -0.120 0.000 2.584 102 I HA -0.070 4.099 4.170 -0.002 0.000 0.255 102 I C 2.098 178.112 176.117 -0.172 0.000 1.145 102 I CA 0.381 61.613 61.300 -0.114 0.000 1.462 102 I CB 0.242 38.190 38.000 -0.086 0.000 1.102 102 I HN -0.163 nan 8.210 nan 0.000 0.433 103 A N -0.092 122.533 122.820 -0.324 0.000 2.066 103 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 103 A C 2.103 179.473 177.584 -0.356 0.000 1.157 103 A CA 1.523 53.197 52.037 -0.605 0.000 0.670 103 A CB -0.435 17.717 19.000 -1.414 0.000 0.804 103 A HN 0.533 nan 8.150 nan 0.000 0.453 104 Q N 0.433 120.103 119.800 -0.216 0.000 2.046 104 Q HA -0.127 4.212 4.340 -0.002 0.000 0.200 104 Q C 1.815 177.788 176.000 -0.044 0.000 0.975 104 Q CA 2.708 58.454 55.803 -0.096 0.000 0.836 104 Q CB -0.479 28.214 28.738 -0.076 0.000 0.896 104 Q HN 0.611 nan 8.270 nan 0.000 0.428 105 V N -2.241 117.643 119.914 -0.049 0.000 2.878 105 V HA -0.020 4.099 4.120 -0.002 0.000 0.250 105 V C 1.955 178.045 176.094 -0.007 0.000 1.075 105 V CA 1.153 63.439 62.300 -0.023 0.000 1.096 105 V CB -0.709 31.099 31.823 -0.026 0.000 0.724 105 V HN 0.272 nan 8.190 nan 0.000 0.467 106 Q N 0.931 120.729 119.800 -0.005 0.000 2.020 106 Q HA -0.120 4.220 4.340 -0.002 0.000 0.202 106 Q C 2.458 178.484 176.000 0.044 0.000 0.982 106 Q CA 2.357 58.173 55.803 0.023 0.000 0.838 106 Q CB -0.486 28.276 28.738 0.042 0.000 0.899 106 Q HN 0.598 nan 8.270 nan 0.000 0.423 107 V N 1.150 121.109 119.914 0.075 0.000 2.392 107 V HA -0.269 3.851 4.120 -0.002 0.000 0.249 107 V C 2.346 178.465 176.094 0.042 0.000 1.059 107 V CA 1.726 64.075 62.300 0.081 0.000 1.051 107 V CB -0.632 31.272 31.823 0.134 0.000 0.658 107 V HN 0.397 nan 8.190 nan 0.000 0.455 108 Q N 0.155 119.972 119.800 0.029 0.000 2.167 108 Q HA -0.170 4.169 4.340 -0.002 0.000 0.202 108 Q C 2.040 178.046 176.000 0.009 0.000 0.970 108 Q CA 1.272 57.084 55.803 0.015 0.000 0.855 108 Q CB -0.233 28.510 28.738 0.008 0.000 0.911 108 Q HN 0.661 nan 8.270 nan 0.000 0.438 109 N N 0.578 119.284 118.700 0.009 0.000 2.354 109 N HA -0.091 4.648 4.740 -0.002 0.000 0.179 109 N C 1.392 176.904 175.510 0.003 0.000 1.021 109 N CA 0.814 53.866 53.050 0.004 0.000 0.887 109 N CB 0.044 38.533 38.487 0.003 0.000 0.974 109 N HN 0.370 nan 8.380 nan 0.000 0.437 110 K N 0.301 120.706 120.400 0.008 0.000 2.305 110 K HA 0.046 4.365 4.320 -0.002 0.000 0.199 110 K C 1.793 178.393 176.600 -0.000 0.000 1.047 110 K CA 0.213 56.503 56.287 0.004 0.000 0.976 110 K CB -0.232 32.272 32.500 0.006 0.000 0.765 110 K HN 0.055 nan 8.250 nan 0.000 0.474 111 L N 1.865 123.090 121.223 0.002 0.000 2.156 111 L HA -0.073 4.266 4.340 -0.002 0.000 0.208 111 L C 2.351 179.217 176.870 -0.008 0.000 1.095 111 L CA 1.610 56.449 54.840 -0.002 0.000 0.770 111 L CB -0.326 41.735 42.059 0.003 0.000 0.914 111 L HN 0.030 nan 8.230 nan 0.000 0.439 112 Q N -0.690 119.106 119.800 -0.006 0.000 2.364 112 Q HA -0.045 4.294 4.340 -0.002 0.000 0.207 112 Q C 1.851 177.844 176.000 -0.012 0.000 0.970 112 Q CA 1.384 57.181 55.803 -0.010 0.000 0.888 112 Q CB -0.163 28.570 28.738 -0.008 0.000 0.951 112 Q HN 0.623 nan 8.270 nan 0.000 0.469 113 L N -1.513 119.704 121.223 -0.011 0.000 2.375 113 L HA 0.203 4.542 4.340 -0.002 0.000 0.215 113 L C 1.630 178.491 176.870 -0.016 0.000 1.108 113 L CA 0.649 55.482 54.840 -0.012 0.000 0.830 113 L CB -0.082 41.971 42.059 -0.010 0.000 0.959 113 L HN 0.114 nan 8.230 nan 0.000 0.457 114 A N -0.904 121.906 122.820 -0.017 0.000 2.348 114 A HA 0.043 4.362 4.320 -0.002 0.000 0.224 114 A C 1.942 179.509 177.584 -0.028 0.000 1.227 114 A CA -0.024 52.000 52.037 -0.021 0.000 0.885 114 A CB -0.010 18.979 19.000 -0.019 0.000 0.933 114 A HN 0.243 nan 8.150 nan 0.000 0.506 115 M N 1.466 121.050 119.600 -0.027 0.000 2.086 115 M HA -0.016 4.464 4.480 -0.002 0.000 0.261 115 M C -1.214 175.061 176.300 -0.042 0.000 1.067 115 M CA 1.987 57.267 55.300 -0.033 0.000 1.116 115 M CB -0.641 31.942 32.600 -0.028 0.000 1.348 115 M HN 0.197 nan 8.290 nan 0.000 0.407 116 P HA 0.066 nan 4.420 nan 0.000 0.249 116 P C 0.907 178.181 177.300 -0.043 0.000 1.229 116 P CA 0.798 63.874 63.100 -0.040 0.000 0.788 116 P CB -0.033 31.649 31.700 -0.031 0.000 1.072 117 L N -1.289 119.908 121.223 -0.043 0.000 2.529 117 L HA 0.131 4.470 4.340 -0.002 0.000 0.223 117 L C 1.216 178.049 176.870 -0.062 0.000 1.113 117 L CA 0.445 55.258 54.840 -0.044 0.000 0.861 117 L CB -0.574 41.464 42.059 -0.034 0.000 1.012 117 L HN -0.123 nan 8.230 nan 0.000 0.461 118 L N 0.515 121.692 121.223 -0.076 0.000 2.371 118 L HA 0.263 4.603 4.340 -0.002 0.000 0.272 118 L C -1.903 174.881 176.870 -0.144 0.000 1.124 118 L CA -2.031 52.739 54.840 -0.116 0.000 0.816 118 L CB -0.067 41.924 42.059 -0.112 0.000 1.129 118 L HN -0.162 nan 8.230 nan 0.000 0.448 119 P HA -0.067 nan 4.420 nan 0.000 0.267 119 P C 0.012 177.199 177.300 -0.188 0.000 1.201 119 P CA -0.159 62.810 63.100 -0.218 0.000 0.775 119 P CB 0.401 31.872 31.700 -0.381 0.000 0.854 120 Q N 0.792 120.519 119.800 -0.121 0.000 2.291 120 Q HA -0.212 4.127 4.340 -0.002 0.000 0.206 120 Q C 0.989 176.926 176.000 -0.104 0.000 0.976 120 Q CA 1.601 57.346 55.803 -0.097 0.000 0.875 120 Q CB -0.464 28.236 28.738 -0.062 0.000 0.927 120 Q HN 0.377 nan 8.270 nan 0.000 0.450 121 E N 0.702 120.849 120.200 -0.089 0.000 2.107 121 E HA -0.084 4.265 4.350 -0.002 0.000 0.191 121 E C 1.879 178.458 176.600 -0.034 0.000 0.982 121 E CA 1.067 57.464 56.400 -0.006 0.000 0.809 121 E CB -0.010 29.819 29.700 0.215 0.000 0.756 121 E HN 0.232 nan 8.360 nan 0.000 0.459 122 V N 0.246 120.054 119.914 -0.177 0.000 2.951 122 V HA -0.151 3.968 4.120 -0.002 0.000 0.255 122 V C 1.688 177.723 176.094 -0.098 0.000 1.088 122 V CA 1.260 63.483 62.300 -0.128 0.000 1.109 122 V CB -0.034 31.623 31.823 -0.277 0.000 0.724 122 V HN 0.234 nan 8.190 nan 0.000 0.471 123 Q N -0.512 119.213 119.800 -0.124 0.000 2.050 123 Q HA -0.267 4.073 4.340 -0.002 0.000 0.202 123 Q C 2.223 178.158 176.000 -0.107 0.000 0.980 123 Q CA 2.179 57.921 55.803 -0.102 0.000 0.840 123 Q CB -0.137 28.541 28.738 -0.100 0.000 0.898 123 Q HN 0.710 nan 8.270 nan 0.000 0.424 124 Q N 0.307 120.008 119.800 -0.166 0.000 2.167 124 Q HA -0.148 4.191 4.340 -0.002 0.000 0.202 124 Q C 0.710 176.586 176.000 -0.206 0.000 0.970 124 Q CA 0.653 56.303 55.803 -0.254 0.000 0.855 124 Q CB 0.078 28.519 28.738 -0.496 0.000 0.911 124 Q HN 0.117 nan 8.270 nan 0.000 0.438 125 Q N 0.224 119.950 119.800 -0.123 0.000 3.027 125 Q HA 0.253 4.592 4.340 -0.002 0.000 0.260 125 Q C 0.078 176.102 176.000 0.041 0.000 1.379 125 Q CA 0.569 56.383 55.803 0.018 0.000 1.038 125 Q CB -0.274 28.527 28.738 0.104 0.000 1.578 125 Q HN 0.383 nan 8.270 nan 0.000 0.571 126 G N 0.747 109.566 108.800 0.032 0.000 2.947 126 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.251 126 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.251 126 G C -0.131 174.778 174.900 0.015 0.000 1.481 126 G CA 0.088 45.210 45.100 0.037 0.000 1.006 126 G HN 1.780 nan 8.290 nan 0.000 0.561 127 V N -2.755 117.169 119.914 0.016 0.000 3.625 127 V HA 0.342 4.461 4.120 -0.002 0.000 0.501 127 V C -0.263 175.838 176.094 0.012 0.000 0.682 127 V CA 1.162 63.467 62.300 0.009 0.000 2.035 127 V CB -1.535 30.283 31.823 -0.007 0.000 2.457 127 V HN 2.905 nan 8.190 nan 0.000 0.508 128 S N 3.454 119.164 115.700 0.017 0.000 2.547 128 S HA 0.902 5.371 4.470 -0.002 0.000 0.270 128 S C -0.963 173.650 174.600 0.022 0.000 1.150 128 S CA -0.343 57.868 58.200 0.018 0.000 0.850 128 S CB 2.184 65.397 63.200 0.022 0.000 1.118 128 S HN 2.075 nan 8.310 nan 0.000 0.461 129 V N 2.642 122.568 119.914 0.020 0.000 2.531 129 V HA 0.827 4.946 4.120 -0.002 0.000 0.301 129 V C -0.729 175.378 176.094 0.022 0.000 1.034 129 V CA -0.266 62.048 62.300 0.025 0.000 0.865 129 V CB 1.393 33.231 31.823 0.023 0.000 0.995 129 V HN 1.070 nan 8.190 nan 0.000 0.424 130 E N 4.103 124.320 120.200 0.027 0.000 2.430 130 E HA 0.478 4.827 4.350 -0.002 0.000 0.279 130 E C -1.511 175.104 176.600 0.026 0.000 1.003 130 E CA -1.105 55.308 56.400 0.022 0.000 0.801 130 E CB 2.101 31.815 29.700 0.023 0.000 1.313 130 E HN 0.444 nan 8.360 nan 0.000 0.459 131 K N 0.642 121.052 120.400 0.016 0.000 2.237 131 K HA 0.482 4.801 4.320 -0.002 0.000 0.270 131 K C -0.353 176.263 176.600 0.026 0.000 1.015 131 K CA -0.208 56.090 56.287 0.018 0.000 0.949 131 K CB 0.975 33.476 32.500 0.002 0.000 0.976 131 K HN 0.442 nan 8.250 nan 0.000 0.472 132 S N 0.042 115.762 115.700 0.032 0.000 2.632 132 S HA 0.360 4.829 4.470 -0.002 0.000 0.289 132 S C -0.134 174.480 174.600 0.023 0.000 1.115 132 S CA -0.803 57.416 58.200 0.031 0.000 0.889 132 S CB 1.985 65.213 63.200 0.047 0.000 1.116 132 S HN 0.574 nan 8.310 nan 0.000 0.486 133 S N 0.333 116.036 115.700 0.006 0.000 2.612 133 S HA 0.108 4.577 4.470 -0.002 0.000 0.278 133 S C 0.543 175.133 174.600 -0.018 0.000 1.082 133 S CA 0.302 58.499 58.200 -0.004 0.000 1.185 133 S CB 0.374 63.566 63.200 -0.012 0.000 1.077 133 S HN 1.467 nan 8.310 nan 0.000 0.585 134 S N 1.010 116.691 115.700 -0.031 0.000 3.473 134 S HA -0.170 4.299 4.470 -0.002 0.000 0.339 134 S C -0.169 174.380 174.600 -0.085 0.000 1.148 134 S CA 0.743 58.940 58.200 -0.005 0.000 0.969 134 S CB -2.234 61.019 63.200 0.088 0.000 0.936 134 S HN 0.387 nan 8.310 nan 0.000 0.530 135 S N 0.404 115.989 115.700 -0.190 0.000 2.649 135 S HA 0.645 5.114 4.470 -0.002 0.000 0.274 135 S C -0.458 174.030 174.600 -0.186 0.000 1.176 135 S CA -0.846 57.272 58.200 -0.136 0.000 0.988 135 S CB 0.711 63.910 63.200 -0.002 0.000 1.071 135 S HN 0.384 nan 8.310 nan 0.000 0.478 136 F N 2.263 122.269 119.950 0.094 0.000 2.399 136 F HA 0.366 4.892 4.527 -0.002 0.000 0.342 136 F C 1.482 177.124 175.800 -0.265 0.000 1.106 136 F CA -0.605 57.328 58.000 -0.111 0.000 1.196 136 F CB 0.419 39.269 39.000 -0.251 0.000 1.163 136 F HN 0.474 nan 8.300 nan 0.000 0.547 137 L N 1.021 122.208 121.223 -0.060 0.000 2.130 137 L HA 0.197 4.536 4.340 -0.002 0.000 0.200 137 L C 0.430 177.117 176.870 -0.304 0.000 1.075 137 L CA 0.822 55.583 54.840 -0.131 0.000 0.768 137 L CB -0.079 41.958 42.059 -0.037 0.000 0.933 137 L HN 0.529 nan 8.230 nan 0.000 0.451 138 M N -0.167 119.278 119.600 -0.258 0.000 2.393 138 M HA 0.405 4.884 4.480 -0.002 0.000 0.299 138 M C -1.535 174.569 176.300 -0.326 0.000 1.103 138 M CA -0.444 54.693 55.300 -0.271 0.000 0.910 138 M CB 3.296 35.843 32.600 -0.088 0.000 1.659 138 M HN -0.283 nan 8.290 nan 0.000 0.445 139 V N 3.875 123.551 119.914 -0.396 0.000 2.357 139 V HA 0.356 4.475 4.120 -0.002 0.000 0.284 139 V C -0.397 175.505 176.094 -0.319 0.000 1.018 139 V CA -0.735 61.311 62.300 -0.422 0.000 0.841 139 V CB 1.585 33.015 31.823 -0.655 0.000 0.991 139 V HN 0.618 nan 8.190 nan 0.000 0.437 140 V N 4.541 124.303 119.914 -0.253 0.000 2.247 140 V HA 0.451 4.570 4.120 -0.002 0.000 0.262 140 V C 1.080 177.012 176.094 -0.270 0.000 1.096 140 V CA -0.426 61.732 62.300 -0.237 0.000 0.895 140 V CB 0.896 32.646 31.823 -0.122 0.000 1.141 140 V HN 0.913 nan 8.190 nan 0.000 0.478 141 G N 3.245 111.816 108.800 -0.381 0.000 2.365 141 G HA2 0.424 4.383 3.960 -0.002 0.000 0.249 141 G HA3 0.424 4.383 3.960 -0.002 0.000 0.249 141 G C -0.409 174.332 174.900 -0.266 0.000 1.288 141 G CA -0.087 44.855 45.100 -0.264 0.000 0.887 141 G HN 0.549 nan 8.290 nan 0.000 0.524 142 V N 5.539 125.376 119.914 -0.129 0.000 2.325 142 V HA 0.323 4.442 4.120 -0.002 0.000 0.280 142 V C 0.277 176.293 176.094 -0.131 0.000 1.016 142 V CA -0.924 61.291 62.300 -0.142 0.000 0.818 142 V CB 0.718 32.483 31.823 -0.097 0.000 1.019 142 V HN 0.777 nan 8.190 nan 0.000 0.434 143 I N 1.496 121.964 120.570 -0.170 0.000 2.822 143 I HA 0.673 4.842 4.170 -0.002 0.000 0.312 143 I C -0.790 175.268 176.117 -0.098 0.000 1.011 143 I CA -0.433 60.798 61.300 -0.116 0.000 1.105 143 I CB 2.153 40.089 38.000 -0.106 0.000 1.291 143 I HN 0.500 nan 8.210 nan 0.000 0.474 144 N N 2.390 121.050 118.700 -0.067 0.000 2.372 144 N HA 0.447 5.186 4.740 -0.002 0.000 0.291 144 N C -0.560 174.931 175.510 -0.031 0.000 1.024 144 N CA -0.126 52.885 53.050 -0.065 0.000 0.873 144 N CB 1.534 39.976 38.487 -0.074 0.000 1.206 144 N HN 0.769 nan 8.380 nan 0.000 0.486 145 T N -0.694 113.843 114.554 -0.027 0.000 3.571 145 T HA 0.313 4.662 4.350 -0.002 0.000 0.292 145 T C -0.174 174.520 174.700 -0.009 0.000 0.994 145 T CA -0.538 61.557 62.100 -0.008 0.000 0.996 145 T CB 0.434 69.304 68.868 0.003 0.000 1.185 145 T HN 0.385 nan 8.240 nan 0.000 0.482 146 D N 1.024 121.414 120.400 -0.017 0.000 3.269 146 D HA 0.295 4.934 4.640 -0.002 0.000 0.119 146 D C 0.689 176.980 176.300 -0.015 0.000 1.465 146 D CA 0.144 54.136 54.000 -0.014 0.000 1.424 146 D CB -0.131 40.659 40.800 -0.016 0.000 2.075 146 D HN 0.232 nan 8.370 nan 0.000 0.311 147 G N 1.333 110.121 108.800 -0.019 0.000 2.778 147 G HA2 0.323 4.282 3.960 -0.002 0.000 0.287 147 G HA3 0.323 4.282 3.960 -0.002 0.000 0.287 147 G C -0.103 174.782 174.900 -0.025 0.000 0.747 147 G CA 0.278 45.368 45.100 -0.017 0.000 1.961 147 G HN 0.219 nan 8.290 nan 0.000 0.539 148 T N 3.535 118.078 114.554 -0.019 0.000 2.871 148 T HA 0.078 4.427 4.350 -0.002 0.000 0.296 148 T C 1.357 176.047 174.700 -0.018 0.000 0.998 148 T CA 0.275 62.362 62.100 -0.021 0.000 1.162 148 T CB 0.971 69.832 68.868 -0.011 0.000 0.947 148 T HN 0.362 nan 8.240 nan 0.000 0.536 149 M N 1.855 121.437 119.600 -0.031 0.000 2.288 149 M HA 0.280 4.759 4.480 -0.002 0.000 0.209 149 M C 0.565 176.868 176.300 0.006 0.000 0.987 149 M CA 0.132 55.422 55.300 -0.016 0.000 1.835 149 M CB 0.183 32.754 32.600 -0.049 0.000 1.092 149 M HN 0.595 nan 8.290 nan 0.000 0.887 150 T N -1.805 112.757 114.554 0.012 0.000 2.739 150 T HA 0.136 4.485 4.350 -0.002 0.000 0.303 150 T C 0.205 174.916 174.700 0.020 0.000 1.389 150 T CA -0.841 61.277 62.100 0.030 0.000 1.001 150 T CB 1.573 70.485 68.868 0.073 0.000 1.436 150 T HN 0.316 nan 8.240 nan 0.000 0.500 151 Q N 0.427 120.246 119.800 0.032 0.000 2.170 151 Q HA -0.128 4.211 4.340 -0.002 0.000 0.203 151 Q C 1.822 177.841 176.000 0.032 0.000 0.976 151 Q CA 1.586 57.407 55.803 0.029 0.000 0.858 151 Q CB 0.020 28.784 28.738 0.044 0.000 0.907 151 Q HN 0.625 nan 8.270 nan 0.000 0.433 152 E N 0.020 120.269 120.200 0.081 0.000 2.158 152 E HA -0.120 4.230 4.350 -0.002 0.000 0.191 152 E C 1.379 177.919 176.600 -0.101 0.000 0.982 152 E CA 0.691 57.151 56.400 0.100 0.000 0.823 152 E CB -0.043 29.856 29.700 0.331 0.000 0.766 152 E HN 0.277 nan 8.360 nan 0.000 0.468 153 D N 0.975 121.361 120.400 -0.024 0.000 2.149 153 D HA 0.027 4.666 4.640 -0.002 0.000 0.206 153 D C 2.104 178.322 176.300 -0.137 0.000 0.967 153 D CA 0.375 54.328 54.000 -0.079 0.000 0.848 153 D CB 0.070 40.913 40.800 0.070 0.000 0.998 153 D HN 0.093 nan 8.370 nan 0.000 0.474 154 I N 0.306 120.826 120.570 -0.084 0.000 2.252 154 I HA -0.196 3.973 4.170 -0.002 0.000 0.245 154 I C 2.360 178.447 176.117 -0.049 0.000 1.102 154 I CA 0.666 61.924 61.300 -0.071 0.000 1.385 154 I CB -0.163 37.797 38.000 -0.066 0.000 1.064 154 I HN -0.112 nan 8.210 nan 0.000 0.414 155 S N 0.243 115.902 115.700 -0.069 0.000 2.399 155 S HA -0.240 4.229 4.470 -0.002 0.000 0.231 155 S C 1.619 176.149 174.600 -0.118 0.000 1.022 155 S CA 1.826 59.992 58.200 -0.058 0.000 0.983 155 S CB -0.394 62.782 63.200 -0.040 0.000 0.803 155 S HN 0.556 nan 8.310 nan 0.000 0.480 156 D N 0.148 120.395 120.400 -0.254 0.000 2.091 156 D HA -0.155 4.484 4.640 -0.002 0.000 0.199 156 D C 1.825 178.029 176.300 -0.160 0.000 0.980 156 D CA 0.967 54.773 54.000 -0.323 0.000 0.831 156 D CB -0.313 39.981 40.800 -0.843 0.000 0.987 156 D HN 0.421 nan 8.370 nan 0.000 0.460 157 Y N 0.363 120.529 120.300 -0.224 0.000 2.128 157 Y HA -0.181 4.368 4.550 -0.002 0.000 0.284 157 Y C 2.221 178.047 175.900 -0.124 0.000 1.154 157 Y CA 1.654 59.665 58.100 -0.148 0.000 1.149 157 Y CB -0.570 37.796 38.460 -0.157 0.000 0.976 157 Y HN -0.017 nan 8.280 nan 0.000 0.505 158 V N 0.230 120.165 119.914 0.036 0.000 2.720 158 V HA -0.246 3.873 4.120 -0.002 0.000 0.256 158 V C 2.126 178.177 176.094 -0.072 0.000 1.082 158 V CA 1.874 64.166 62.300 -0.013 0.000 1.101 158 V CB -0.823 31.015 31.823 0.025 0.000 0.693 158 V HN 0.600 nan 8.190 nan 0.000 0.479 159 A N -0.830 121.935 122.820 -0.091 0.000 1.997 159 A HA 0.447 4.766 4.320 -0.002 0.000 0.212 159 A C 1.988 179.505 177.584 -0.113 0.000 1.178 159 A CA 0.920 52.908 52.037 -0.082 0.000 0.698 159 A CB -0.280 18.682 19.000 -0.064 0.000 0.842 159 A HN 0.712 nan 8.150 nan 0.000 0.458 160 A N -1.001 121.719 122.820 -0.166 0.000 2.462 160 A HA 0.411 4.730 4.320 -0.002 0.000 0.261 160 A C 0.803 178.229 177.584 -0.264 0.000 1.323 160 A CA 0.684 52.615 52.037 -0.177 0.000 0.913 160 A CB -0.645 18.270 19.000 -0.142 0.000 1.028 160 A HN 0.573 nan 8.150 nan 0.000 0.511 161 N N -2.631 115.890 118.700 -0.299 0.000 2.011 161 N HA 0.194 4.933 4.740 -0.002 0.000 0.254 161 N C 1.179 176.610 175.510 -0.132 0.000 1.205 161 N CA 0.382 53.244 53.050 -0.314 0.000 0.783 161 N CB 0.285 38.340 38.487 -0.721 0.000 1.472 161 N HN 0.254 nan 8.380 nan 0.000 0.524 162 M N -0.390 119.155 119.600 -0.092 0.000 2.971 162 M HA 0.267 4.746 4.480 -0.002 0.000 0.238 162 M C 1.691 177.988 176.300 -0.006 0.000 1.582 162 M CA 0.197 55.500 55.300 0.006 0.000 1.223 162 M CB 0.083 32.727 32.600 0.074 0.000 1.238 162 M HN -0.106 nan 8.290 nan 0.000 0.568 163 K N 1.263 121.650 120.400 -0.022 0.000 2.127 163 K HA -0.245 4.074 4.320 -0.002 0.000 0.208 163 K C 1.362 177.952 176.600 -0.015 0.000 1.047 163 K CA 2.233 58.511 56.287 -0.015 0.000 0.927 163 K CB -0.235 32.251 32.500 -0.022 0.000 0.716 163 K HN 0.498 nan 8.250 nan 0.000 0.450 164 D N 0.017 120.400 120.400 -0.028 0.000 2.144 164 D HA -0.179 4.460 4.640 -0.002 0.000 0.199 164 D C 1.676 177.965 176.300 -0.017 0.000 0.984 164 D CA 1.342 55.327 54.000 -0.026 0.000 0.834 164 D CB -0.205 40.571 40.800 -0.040 0.000 0.955 164 D HN 0.292 nan 8.370 nan 0.000 0.465 165 A N 0.526 123.338 122.820 -0.014 0.000 1.929 165 A HA 0.097 4.416 4.320 -0.002 0.000 0.216 165 A C 1.601 179.187 177.584 0.003 0.000 1.176 165 A CA 0.403 52.437 52.037 -0.005 0.000 0.628 165 A CB -0.405 18.596 19.000 0.002 0.000 0.816 165 A HN 0.189 nan 8.150 nan 0.000 0.444 166 I N -1.184 119.390 120.570 0.007 0.000 3.468 166 I HA 0.204 4.373 4.170 -0.002 0.000 0.276 166 I C 1.945 178.067 176.117 0.007 0.000 1.182 166 I CA 1.048 62.354 61.300 0.011 0.000 0.881 166 I CB 0.306 38.316 38.000 0.016 0.000 1.609 166 I HN 0.589 nan 8.210 nan 0.000 0.780 167 S N -0.178 115.528 115.700 0.011 0.000 2.194 167 S HA -0.400 4.070 4.470 -0.002 0.000 0.225 167 S C 1.604 176.209 174.600 0.008 0.000 1.176 167 S CA 1.766 59.973 58.200 0.012 0.000 1.694 167 S CB -1.315 61.892 63.200 0.011 0.000 2.249 167 S HN 0.773 nan 8.310 nan 0.000 0.601 168 R N 1.417 121.920 120.500 0.004 0.000 2.312 168 R HA 0.215 4.554 4.340 -0.002 0.000 0.205 168 R C 1.624 177.925 176.300 0.002 0.000 0.904 168 R CA 0.894 56.995 56.100 0.001 0.000 1.052 168 R CB 0.024 30.323 30.300 -0.002 0.000 1.014 168 R HN 0.692 nan 8.270 nan 0.000 0.503 169 T N -0.978 113.579 114.554 0.004 0.000 4.536 169 T HA 0.093 4.442 4.350 -0.002 0.000 0.337 169 T C 0.075 174.778 174.700 0.005 0.000 1.148 169 T CA -0.184 61.919 62.100 0.005 0.000 0.923 169 T CB 0.479 69.352 68.868 0.007 0.000 1.977 169 T HN 0.044 nan 8.240 nan 0.000 0.477 170 S N 0.762 116.466 115.700 0.007 0.000 2.457 170 S HA 0.396 4.866 4.470 -0.002 0.000 0.294 170 S C 1.001 175.606 174.600 0.008 0.000 1.201 170 S CA 0.295 58.499 58.200 0.006 0.000 1.112 170 S CB -0.323 62.881 63.200 0.006 0.000 1.018 170 S HN 1.108 nan 8.310 nan 0.000 0.511 171 G N 3.087 111.891 108.800 0.007 0.000 2.441 171 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.298 171 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.298 171 G C 0.087 174.995 174.900 0.012 0.000 0.949 171 G CA -0.015 45.090 45.100 0.009 0.000 1.072 171 G HN 0.640 nan 8.290 nan 0.000 0.512 172 V N 0.215 120.137 119.914 0.013 0.000 2.461 172 V HA 0.534 4.653 4.120 -0.002 0.000 0.275 172 V C 1.822 177.927 176.094 0.018 0.000 1.047 172 V CA 0.411 62.722 62.300 0.018 0.000 0.955 172 V CB 1.064 32.899 31.823 0.020 0.000 0.988 172 V HN 0.464 nan 8.190 nan 0.000 0.471 173 G N 3.830 112.643 108.800 0.021 0.000 2.505 173 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.214 173 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.214 173 G C 0.200 175.116 174.900 0.027 0.000 1.237 173 G CA 0.955 46.067 45.100 0.021 0.000 0.802 173 G HN 0.812 nan 8.290 nan 0.000 0.549 174 D N -1.010 119.413 120.400 0.037 0.000 2.861 174 D HA 0.234 4.873 4.640 -0.002 0.000 0.216 174 D C -1.164 175.176 176.300 0.066 0.000 1.323 174 D CA -0.582 53.445 54.000 0.046 0.000 0.917 174 D CB 1.415 42.244 40.800 0.048 0.000 1.582 174 D HN 0.054 nan 8.370 nan 0.000 0.576 175 V N 2.045 121.989 119.914 0.051 0.000 2.455 175 V HA 0.112 4.231 4.120 -0.002 0.000 0.273 175 V C 0.528 176.636 176.094 0.024 0.000 1.045 175 V CA -0.146 62.182 62.300 0.047 0.000 0.976 175 V CB 1.192 33.026 31.823 0.020 0.000 0.993 175 V HN 0.480 nan 8.190 nan 0.000 0.475 176 Q N 4.810 124.617 119.800 0.011 0.000 2.406 176 Q HA 0.268 4.607 4.340 -0.002 0.000 0.242 176 Q C -0.468 175.334 176.000 -0.330 0.000 1.036 176 Q CA -0.392 55.349 55.803 -0.103 0.000 0.904 176 Q CB 1.432 30.154 28.738 -0.027 0.000 1.244 176 Q HN 0.669 nan 8.270 nan 0.000 0.478 177 L N 3.884 124.999 121.223 -0.180 0.000 2.418 177 L HA 0.206 4.545 4.340 -0.002 0.000 0.274 177 L C -0.874 175.910 176.870 -0.144 0.000 1.135 177 L CA 0.218 54.981 54.840 -0.129 0.000 0.870 177 L CB -0.180 41.855 42.059 -0.038 0.000 1.154 177 L HN 0.482 nan 8.230 nan 0.000 0.462 178 F N 6.313 126.306 119.950 0.072 0.000 2.679 178 F HA 0.442 4.968 4.527 -0.002 0.000 0.351 178 F C 1.276 177.111 175.800 0.059 0.000 1.279 178 F CA 0.972 59.030 58.000 0.097 0.000 1.227 178 F CB 0.065 39.176 39.000 0.185 0.000 1.623 178 F HN 0.844 nan 8.300 nan 0.000 0.666 179 G N 0.179 109.073 108.800 0.157 0.000 2.470 179 G HA2 0.288 4.247 3.960 -0.002 0.000 0.145 179 G HA3 0.288 4.247 3.960 -0.002 0.000 0.145 179 G C -1.202 173.704 174.900 0.010 0.000 1.223 179 G CA -0.540 44.606 45.100 0.077 0.000 1.058 179 G HN 0.356 nan 8.290 nan 0.000 0.469 180 S N -0.433 115.245 115.700 -0.037 0.000 2.560 180 S HA 0.525 4.994 4.470 -0.002 0.000 0.283 180 S C -0.600 173.945 174.600 -0.092 0.000 1.141 180 S CA 0.191 58.350 58.200 -0.068 0.000 0.902 180 S CB 1.402 64.529 63.200 -0.122 0.000 1.104 180 S HN 1.084 nan 8.310 nan 0.000 0.454 181 Q N 2.658 122.419 119.800 -0.065 0.000 2.368 181 Q HA 0.459 4.798 4.340 -0.002 0.000 0.237 181 Q C -0.964 175.047 176.000 0.019 0.000 0.987 181 Q CA -0.303 55.456 55.803 -0.073 0.000 0.896 181 Q CB 0.282 28.996 28.738 -0.041 0.000 1.241 181 Q HN 0.576 nan 8.270 nan 0.000 0.485 182 Y N 0.479 120.788 120.300 0.016 0.000 2.597 182 Y HA 0.312 4.861 4.550 -0.002 0.000 0.336 182 Y C 0.293 176.241 175.900 0.081 0.000 1.216 182 Y CA 0.183 58.311 58.100 0.046 0.000 1.463 182 Y CB 0.622 39.128 38.460 0.076 0.000 1.303 182 Y HN 0.791 nan 8.280 nan 0.000 0.576 183 A N 3.243 126.233 122.820 0.282 0.000 2.515 183 A HA 0.623 4.942 4.320 -0.002 0.000 0.296 183 A C -0.865 176.740 177.584 0.036 0.000 1.094 183 A CA -1.061 51.111 52.037 0.227 0.000 0.718 183 A CB 1.209 20.349 19.000 0.233 0.000 1.307 183 A HN 0.655 nan 8.150 nan 0.000 0.408 184 M N 2.642 122.131 119.600 -0.184 0.000 2.821 184 M HA 0.210 4.689 4.480 -0.002 0.000 0.305 184 M C -0.112 175.888 176.300 -0.499 0.000 1.466 184 M CA 0.021 54.920 55.300 -0.669 0.000 1.526 184 M CB -0.539 31.107 32.600 -1.589 0.000 1.321 184 M HN 0.450 nan 8.290 nan 0.000 0.492 185 R N 5.284 125.553 120.500 -0.385 0.000 2.248 185 R HA 0.346 4.685 4.340 -0.002 0.000 0.328 185 R C -0.750 175.123 176.300 -0.711 0.000 1.067 185 R CA -0.015 55.757 56.100 -0.547 0.000 0.924 185 R CB -0.521 29.523 30.300 -0.427 0.000 1.013 185 R HN 0.675 nan 8.270 nan 0.000 0.454 186 I N 3.482 123.638 120.570 -0.690 0.000 2.330 186 I HA 0.236 4.405 4.170 -0.002 0.000 0.286 186 I C -0.344 175.524 176.117 -0.416 0.000 1.025 186 I CA -0.539 60.502 61.300 -0.433 0.000 1.197 186 I CB 0.749 38.621 38.000 -0.213 0.000 1.358 186 I HN 0.361 nan 8.210 nan 0.000 0.467 187 W N 7.263 128.584 121.300 0.035 0.000 2.316 187 W HA 0.498 5.157 4.660 -0.001 0.000 0.339 187 W C 0.144 176.711 176.519 0.081 0.000 1.002 187 W CA -0.752 56.627 57.345 0.058 0.000 1.465 187 W CB 0.362 29.845 29.460 0.038 0.000 1.300 187 W HN 0.298 nan 8.180 nan 0.000 0.378 188 M N 2.876 122.648 119.600 0.288 0.000 2.250 188 M HA 0.001 4.480 4.480 -0.002 0.000 0.325 188 M C 0.453 176.862 176.300 0.181 0.000 1.084 188 M CA 0.650 56.092 55.300 0.237 0.000 1.161 188 M CB 0.348 33.127 32.600 0.298 0.000 1.481 188 M HN 0.275 nan 8.290 nan 0.000 0.449 189 N N 2.635 121.346 118.700 0.018 0.000 2.483 189 N HA 0.330 5.069 4.740 -0.002 0.000 0.267 189 N C -2.206 173.047 175.510 -0.428 0.000 0.998 189 N CA -2.161 50.711 53.050 -0.296 0.000 0.918 189 N CB 1.633 40.026 38.487 -0.158 0.000 1.215 189 N HN 0.221 nan 8.380 nan 0.000 0.500 190 P HA -0.108 nan 4.420 nan 0.000 0.216 190 P C 0.561 177.595 177.300 -0.445 0.000 1.150 190 P CA 1.160 63.739 63.100 -0.868 0.000 0.837 190 P CB 0.596 31.251 31.700 -1.742 0.000 0.786 191 N N 0.135 118.551 118.700 -0.473 0.000 2.188 191 N HA -0.140 4.599 4.740 -0.002 0.000 0.184 191 N C 1.837 177.232 175.510 -0.190 0.000 1.018 191 N CA 1.082 53.964 53.050 -0.279 0.000 0.858 191 N CB -0.682 37.669 38.487 -0.228 0.000 0.989 191 N HN 0.206 nan 8.380 nan 0.000 0.426 192 E N 0.547 120.661 120.200 -0.144 0.000 2.216 192 E HA 0.094 4.443 4.350 -0.002 0.000 0.192 192 E C 1.924 178.582 176.600 0.097 0.000 0.988 192 E CA 0.266 56.667 56.400 0.001 0.000 0.834 192 E CB -0.033 29.699 29.700 0.054 0.000 0.772 192 E HN 0.260 nan 8.360 nan 0.000 0.479 193 L N 0.174 121.415 121.223 0.029 0.000 2.072 193 L HA -0.083 4.256 4.340 -0.002 0.000 0.205 193 L C 2.345 179.253 176.870 0.064 0.000 1.079 193 L CA 1.277 56.177 54.840 0.101 0.000 0.752 193 L CB -0.362 41.778 42.059 0.134 0.000 0.906 193 L HN 0.239 nan 8.230 nan 0.000 0.436 194 N N 0.083 118.753 118.700 -0.049 0.000 2.188 194 N HA -0.246 4.493 4.740 -0.002 0.000 0.184 194 N C 1.941 177.333 175.510 -0.197 0.000 1.018 194 N CA 0.835 53.787 53.050 -0.164 0.000 0.858 194 N CB 0.127 38.389 38.487 -0.375 0.000 0.989 194 N HN 0.171 nan 8.380 nan 0.000 0.426 195 K N -0.435 119.825 120.400 -0.232 0.000 2.147 195 K HA -0.092 4.227 4.320 -0.002 0.000 0.205 195 K C 0.198 176.454 176.600 -0.573 0.000 1.049 195 K CA 1.148 57.174 56.287 -0.435 0.000 0.936 195 K CB 0.064 32.228 32.500 -0.560 0.000 0.722 195 K HN 0.197 nan 8.250 nan 0.000 0.446 196 F N 0.575 120.500 119.950 -0.042 0.000 2.735 196 F HA 0.208 4.734 4.527 -0.002 0.000 0.304 196 F C -0.458 175.337 175.800 -0.008 0.000 1.119 196 F CA -0.761 57.226 58.000 -0.021 0.000 1.280 196 F CB 0.641 39.634 39.000 -0.012 0.000 0.994 196 F HN -0.098 nan 8.300 nan 0.000 0.520 197 Q N 1.271 121.123 119.800 0.087 0.000 2.453 197 Q HA -0.158 4.181 4.340 -0.002 0.000 0.330 197 Q C -1.307 174.761 176.000 0.114 0.000 1.417 197 Q CA 0.693 56.542 55.803 0.077 0.000 0.902 197 Q CB -1.505 27.269 28.738 0.059 0.000 1.154 197 Q HN 0.500 nan 8.270 nan 0.000 0.395 198 L N -0.781 120.523 121.223 0.135 0.000 2.381 198 L HA 0.767 5.106 4.340 -0.002 0.000 0.268 198 L C 0.251 177.226 176.870 0.174 0.000 0.997 198 L CA -0.801 54.124 54.840 0.141 0.000 0.818 198 L CB 2.325 44.469 42.059 0.142 0.000 1.310 198 L HN 0.133 nan 8.230 nan 0.000 0.416 199 T N 1.021 115.675 114.554 0.166 0.000 2.912 199 T HA 0.432 4.781 4.350 -0.002 0.000 0.288 199 T C -1.938 172.866 174.700 0.173 0.000 1.030 199 T CA -2.130 60.092 62.100 0.204 0.000 1.020 199 T CB 1.720 70.696 68.868 0.179 0.000 1.056 199 T HN 0.312 nan 8.240 nan 0.000 0.480 200 P HA -0.154 nan 4.420 nan 0.000 0.219 200 P C 1.633 178.991 177.300 0.097 0.000 1.149 200 P CA 0.923 64.104 63.100 0.136 0.000 0.835 200 P CB -0.157 31.604 31.700 0.102 0.000 0.778 201 V N 0.850 120.822 119.914 0.095 0.000 2.295 201 V HA -0.223 3.896 4.120 -0.002 0.000 0.246 201 V C 2.140 178.271 176.094 0.061 0.000 1.049 201 V CA 2.272 64.615 62.300 0.071 0.000 1.024 201 V CB -1.290 30.572 31.823 0.065 0.000 0.648 201 V HN 0.102 nan 8.190 nan 0.000 0.447 202 D N 0.171 120.612 120.400 0.069 0.000 2.144 202 D HA -0.123 4.516 4.640 -0.002 0.000 0.199 202 D C 2.177 178.506 176.300 0.048 0.000 0.984 202 D CA 1.187 55.221 54.000 0.056 0.000 0.834 202 D CB -0.335 40.503 40.800 0.064 0.000 0.955 202 D HN 0.353 nan 8.370 nan 0.000 0.465 203 V N 1.262 121.213 119.914 0.061 0.000 2.261 203 V HA -0.219 3.901 4.120 -0.002 0.000 0.246 203 V C 2.574 178.692 176.094 0.040 0.000 1.047 203 V CA 1.175 63.507 62.300 0.052 0.000 1.015 203 V CB -0.409 31.455 31.823 0.069 0.000 0.642 203 V HN 0.136 nan 8.190 nan 0.000 0.446 204 I N 0.204 120.801 120.570 0.045 0.000 2.127 204 I HA -0.267 3.902 4.170 -0.002 0.000 0.241 204 I C 2.572 178.707 176.117 0.031 0.000 1.075 204 I CA 2.095 63.418 61.300 0.038 0.000 1.334 204 I CB -0.804 37.222 38.000 0.044 0.000 1.040 204 I HN 0.328 nan 8.210 nan 0.000 0.405 205 T N 0.752 115.323 114.554 0.030 0.000 2.759 205 T HA -0.188 4.161 4.350 -0.002 0.000 0.269 205 T C 1.957 176.663 174.700 0.010 0.000 1.042 205 T CA 1.430 63.543 62.100 0.021 0.000 1.140 205 T CB -0.376 68.505 68.868 0.022 0.000 0.864 205 T HN 0.502 nan 8.240 nan 0.000 0.455 206 A N 0.596 123.421 122.820 0.008 0.000 2.014 206 A HA 0.106 4.425 4.320 -0.002 0.000 0.218 206 A C 2.196 179.768 177.584 -0.020 0.000 1.163 206 A CA 0.743 52.775 52.037 -0.008 0.000 0.652 206 A CB -0.604 18.391 19.000 -0.009 0.000 0.808 206 A HN 0.529 nan 8.150 nan 0.000 0.449 207 I N 0.518 121.086 120.570 -0.004 0.000 2.141 207 I HA -0.221 3.948 4.170 -0.002 0.000 0.236 207 I C 2.406 178.515 176.117 -0.014 0.000 1.071 207 I CA 1.615 62.912 61.300 -0.006 0.000 1.345 207 I CB -0.256 37.770 38.000 0.043 0.000 1.066 207 I HN 0.326 nan 8.210 nan 0.000 0.406 208 K N 1.905 122.310 120.400 0.008 0.000 2.515 208 K HA -0.006 4.313 4.320 -0.002 0.000 0.196 208 K C 1.676 178.273 176.600 -0.005 0.000 1.038 208 K CA 1.376 57.670 56.287 0.011 0.000 0.967 208 K CB -0.267 32.248 32.500 0.025 0.000 0.780 208 K HN 0.337 nan 8.250 nan 0.000 0.483 209 A N 1.092 123.903 122.820 -0.016 0.000 2.030 209 A HA -0.000 4.319 4.320 -0.002 0.000 0.215 209 A C 1.878 179.438 177.584 -0.040 0.000 1.164 209 A CA 0.464 52.488 52.037 -0.022 0.000 0.697 209 A CB 0.060 19.049 19.000 -0.018 0.000 0.827 209 A HN 0.400 nan 8.150 nan 0.000 0.457 210 Q N -1.453 118.310 119.800 -0.063 0.000 2.471 210 Q HA 0.074 4.413 4.340 -0.002 0.000 0.241 210 Q C 0.088 176.010 176.000 -0.130 0.000 0.886 210 Q CA 0.055 55.801 55.803 -0.095 0.000 0.953 210 Q CB 0.213 28.881 28.738 -0.116 0.000 1.108 210 Q HN 0.481 nan 8.270 nan 0.000 0.575 211 N N 1.317 119.929 118.700 -0.148 0.000 2.868 211 N HA 0.337 5.076 4.740 -0.002 0.000 0.252 211 N C -1.685 173.803 175.510 -0.038 0.000 1.130 211 N CA -0.017 52.943 53.050 -0.149 0.000 1.026 211 N CB 0.463 38.821 38.487 -0.214 0.000 1.335 211 N HN 0.190 nan 8.380 nan 0.000 0.516 212 A N 2.122 124.925 122.820 -0.029 0.000 2.572 212 A HA 0.533 4.852 4.320 -0.002 0.000 0.295 212 A C -1.148 176.438 177.584 0.003 0.000 1.072 212 A CA -0.702 51.335 52.037 -0.001 0.000 0.691 212 A CB 1.434 20.431 19.000 -0.006 0.000 1.291 212 A HN 0.448 nan 8.150 nan 0.000 0.404 213 Q N 1.101 120.909 119.800 0.013 0.000 2.506 213 Q HA 0.514 4.853 4.340 -0.002 0.000 0.242 213 Q C -0.637 175.367 176.000 0.006 0.000 1.060 213 Q CA -0.413 55.396 55.803 0.011 0.000 0.826 213 Q CB 0.838 29.587 28.738 0.018 0.000 1.169 213 Q HN 1.126 nan 8.270 nan 0.000 0.521 214 V N 0.347 120.261 119.914 0.000 0.000 2.743 214 V HA 0.971 5.090 4.120 -0.002 0.000 0.301 214 V C -0.158 175.935 176.094 -0.001 0.000 1.057 214 V CA -0.736 61.563 62.300 -0.001 0.000 1.006 214 V CB 1.486 33.306 31.823 -0.004 0.000 1.024 214 V HN 0.670 nan 8.190 nan 0.000 0.473 215 A N 2.940 125.759 122.820 -0.002 0.000 2.285 215 A HA 0.915 5.234 4.320 -0.002 0.000 0.310 215 A C 0.117 177.699 177.584 -0.003 0.000 1.266 215 A CA -0.078 51.958 52.037 -0.002 0.000 0.832 215 A CB 0.556 19.555 19.000 -0.001 0.000 1.163 215 A HN 1.952 nan 8.150 nan 0.000 0.499 216 A N 2.070 124.888 122.820 -0.003 0.000 2.281 216 A HA 0.818 5.137 4.320 -0.002 0.000 0.329 216 A C 1.048 178.630 177.584 -0.003 0.000 1.122 216 A CA 0.029 52.063 52.037 -0.004 0.000 0.850 216 A CB 0.499 19.496 19.000 -0.004 0.000 1.207 216 A HN 1.448 nan 8.150 nan 0.000 0.495 217 G N -0.243 108.555 108.800 -0.003 0.000 2.611 217 G HA2 0.407 4.367 3.960 -0.002 0.000 0.147 217 G HA3 0.407 4.367 3.960 -0.002 0.000 0.147 217 G C 0.123 175.021 174.900 -0.003 0.000 1.798 217 G CA 0.946 46.044 45.100 -0.003 0.000 0.973 217 G HN 1.252 nan 8.290 nan 0.000 0.416 218 Q N -1.909 117.890 119.800 -0.003 0.000 2.527 218 Q HA 0.484 4.823 4.340 -0.002 0.000 0.280 218 Q C -1.516 174.482 176.000 -0.003 0.000 0.977 218 Q CA -0.922 54.879 55.803 -0.003 0.000 0.837 218 Q CB 1.117 29.853 28.738 -0.003 0.000 1.454 218 Q HN 0.339 nan 8.270 nan 0.000 0.387 219 L N 1.489 122.711 121.223 -0.003 0.000 2.416 219 L HA 0.417 4.756 4.340 -0.002 0.000 0.272 219 L C 1.270 178.138 176.870 -0.002 0.000 1.161 219 L CA 1.323 56.161 54.840 -0.003 0.000 0.845 219 L CB 0.408 42.465 42.059 -0.002 0.000 1.119 219 L HN 1.132 nan 8.230 nan 0.000 0.464 220 G N 2.115 110.914 108.800 -0.002 0.000 2.162 220 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.260 220 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.260 220 G C 0.845 175.743 174.900 -0.002 0.000 0.976 220 G CA 0.479 45.578 45.100 -0.002 0.000 0.655 220 G HN 1.244 nan 8.290 nan 0.000 0.533 221 G N -0.424 108.375 108.800 -0.003 0.000 2.606 221 G HA2 -0.063 3.897 3.960 -0.002 0.000 0.497 221 G HA3 -0.063 3.897 3.960 -0.002 0.000 0.497 221 G C 1.397 176.295 174.900 -0.003 0.000 1.309 221 G CA 3.283 48.382 45.100 -0.003 0.000 0.936 221 G HN 1.955 nan 8.290 nan 0.000 0.550 222 T N -2.489 112.063 114.554 -0.003 0.000 3.177 222 T HA 0.339 4.688 4.350 -0.002 0.000 0.262 222 T C -2.082 172.616 174.700 -0.003 0.000 0.959 222 T CA 0.692 62.791 62.100 -0.003 0.000 0.996 222 T CB 0.242 69.109 68.868 -0.003 0.000 1.185 222 T HN 0.676 nan 8.240 nan 0.000 0.486 223 P HA 0.571 nan 4.420 nan 0.000 0.258 223 P C -2.694 174.605 177.300 -0.002 0.000 1.647 223 P CA -1.048 62.051 63.100 -0.002 0.000 1.099 223 P CB 0.749 32.448 31.700 -0.002 0.000 1.604 224 P HA 0.305 nan 4.420 nan 0.000 0.287 224 P C -0.819 176.480 177.300 -0.002 0.000 1.296 224 P CA -0.781 62.318 63.100 -0.002 0.000 0.811 224 P CB 1.038 32.737 31.700 -0.002 0.000 1.211 225 V N 0.994 120.907 119.914 -0.002 0.000 2.406 225 V HA 0.148 4.267 4.120 -0.002 0.000 0.272 225 V C 0.487 176.580 176.094 -0.002 0.000 1.043 225 V CA -0.622 61.677 62.300 -0.002 0.000 0.915 225 V CB 0.286 32.108 31.823 -0.002 0.000 0.988 225 V HN 0.451 nan 8.190 nan 0.000 0.466 226 K N 3.838 124.237 120.400 -0.002 0.000 2.405 226 K HA 0.375 4.694 4.320 -0.002 0.000 0.276 226 K C 1.018 177.617 176.600 -0.002 0.000 1.099 226 K CA 1.146 57.432 56.287 -0.002 0.000 1.120 226 K CB -0.169 32.330 32.500 -0.002 0.000 0.877 226 K HN 1.084 nan 8.250 nan 0.000 0.472 227 G N 2.086 110.885 108.800 -0.001 0.000 2.227 227 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.168 227 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.168 227 G C -0.292 174.607 174.900 -0.001 0.000 1.006 227 G CA -0.522 44.577 45.100 -0.001 0.000 0.684 227 G HN 0.505 nan 8.290 nan 0.000 0.489 228 Q N 0.861 120.660 119.800 -0.002 0.000 2.297 228 Q HA 0.540 4.879 4.340 -0.002 0.000 0.267 228 Q C 1.510 177.509 176.000 -0.002 0.000 1.006 228 Q CA 0.202 56.004 55.803 -0.002 0.000 0.896 228 Q CB 0.825 29.562 28.738 -0.002 0.000 1.186 228 Q HN 0.316 nan 8.270 nan 0.000 0.392 229 Q N 3.052 122.851 119.800 -0.001 0.000 2.259 229 Q HA 0.197 4.536 4.340 -0.002 0.000 0.201 229 Q C 0.085 176.084 176.000 -0.001 0.000 0.938 229 Q CA 0.585 56.388 55.803 -0.001 0.000 0.872 229 Q CB 0.088 28.826 28.738 -0.001 0.000 0.971 229 Q HN 0.691 nan 8.270 nan 0.000 0.494 230 L N -1.825 119.397 121.223 -0.002 0.000 2.341 230 L HA 0.650 4.989 4.340 -0.002 0.000 0.267 230 L C -0.515 176.354 176.870 -0.002 0.000 1.009 230 L CA -0.795 54.044 54.840 -0.002 0.000 0.819 230 L CB 2.058 44.116 42.059 -0.002 0.000 1.323 230 L HN -0.189 nan 8.230 nan 0.000 0.425 231 N N 2.065 120.764 118.700 -0.002 0.000 2.577 231 N HA 0.664 5.403 4.740 -0.002 0.000 0.275 231 N C -1.752 173.757 175.510 -0.002 0.000 1.091 231 N CA -0.139 52.910 53.050 -0.002 0.000 0.843 231 N CB 1.940 40.426 38.487 -0.002 0.000 1.295 231 N HN 1.011 nan 8.380 nan 0.000 0.530 232 A N 1.863 124.682 122.820 -0.002 0.000 2.414 232 A HA 0.594 4.913 4.320 -0.002 0.000 0.306 232 A C -0.123 177.459 177.584 -0.002 0.000 1.054 232 A CA -0.621 51.415 52.037 -0.002 0.000 0.724 232 A CB 1.250 20.249 19.000 -0.002 0.000 1.267 232 A HN 0.584 nan 8.150 nan 0.000 0.418 233 S N 0.831 116.529 115.700 -0.002 0.000 2.592 233 S HA 0.650 5.120 4.470 -0.002 0.000 0.271 233 S C -0.237 174.361 174.600 -0.003 0.000 1.326 233 S CA -0.202 57.996 58.200 -0.003 0.000 1.024 233 S CB 0.451 63.649 63.200 -0.003 0.000 0.921 233 S HN 0.476 nan 8.310 nan 0.000 0.527 234 I N 2.041 122.609 120.570 -0.003 0.000 2.359 234 I HA 0.377 4.547 4.170 -0.002 0.000 0.294 234 I C -0.461 175.654 176.117 -0.004 0.000 0.987 234 I CA -0.548 60.750 61.300 -0.003 0.000 1.225 234 I CB 1.344 39.342 38.000 -0.004 0.000 1.366 234 I HN 0.570 nan 8.210 nan 0.000 0.466 235 I N 5.811 126.378 120.570 -0.004 0.000 2.378 235 I HA 0.525 4.694 4.170 -0.002 0.000 0.291 235 I C 0.615 176.729 176.117 -0.005 0.000 0.992 235 I CA -0.208 61.090 61.300 -0.004 0.000 1.154 235 I CB 0.888 38.886 38.000 -0.003 0.000 1.315 235 I HN 0.708 nan 8.210 nan 0.000 0.448 236 A N 6.683 129.499 122.820 -0.006 0.000 2.940 236 A HA 0.331 4.650 4.320 -0.002 0.000 0.210 236 A C 0.475 178.052 177.584 -0.011 0.000 2.267 236 A CA 0.006 52.038 52.037 -0.009 0.000 1.544 236 A CB -0.020 18.975 19.000 -0.009 0.000 1.180 236 A HN 0.673 nan 8.150 nan 0.000 0.403 237 Q N 0.209 120.001 119.800 -0.013 0.000 2.261 237 Q HA 0.460 4.799 4.340 -0.002 0.000 0.252 237 Q C -0.733 175.260 176.000 -0.012 0.000 0.915 237 Q CA -0.108 55.685 55.803 -0.017 0.000 0.915 237 Q CB 1.245 29.970 28.738 -0.021 0.000 1.204 237 Q HN 0.519 nan 8.270 nan 0.000 0.421 238 T N 1.481 116.027 114.554 -0.013 0.000 2.918 238 T HA 0.374 4.723 4.350 -0.002 0.000 0.286 238 T C -0.538 174.161 174.700 -0.002 0.000 1.026 238 T CA -0.742 61.356 62.100 -0.003 0.000 1.031 238 T CB 0.987 69.856 68.868 0.001 0.000 1.046 238 T HN 0.510 nan 8.240 nan 0.000 0.479 239 R N 3.057 123.570 120.500 0.022 0.000 2.401 239 R HA 0.342 4.681 4.340 -0.002 0.000 0.299 239 R C 0.003 176.349 176.300 0.076 0.000 1.064 239 R CA -0.256 55.875 56.100 0.052 0.000 1.000 239 R CB 0.096 30.445 30.300 0.082 0.000 0.973 239 R HN 0.583 nan 8.270 nan 0.000 0.438 240 L N 2.399 123.652 121.223 0.050 0.000 2.483 240 L HA -0.012 4.327 4.340 -0.002 0.000 0.276 240 L C 1.597 178.662 176.870 0.325 0.000 1.213 240 L CA 0.388 55.253 54.840 0.041 0.000 0.843 240 L CB 0.924 42.782 42.059 -0.335 0.000 1.107 240 L HN 0.766 nan 8.230 nan 0.000 0.487 241 T N -0.795 113.927 114.554 0.280 0.000 3.026 241 T HA 0.093 4.442 4.350 -0.002 0.000 0.245 241 T C 0.652 175.590 174.700 0.397 0.000 1.004 241 T CA 0.548 62.854 62.100 0.344 0.000 1.069 241 T CB 0.256 69.229 68.868 0.175 0.000 1.005 241 T HN 0.753 nan 8.240 nan 0.000 0.472 242 S N -0.682 115.190 115.700 0.287 0.000 2.715 242 S HA 0.459 4.928 4.470 -0.002 0.000 0.307 242 S C 1.076 175.794 174.600 0.197 0.000 1.119 242 S CA 0.007 58.330 58.200 0.206 0.000 0.937 242 S CB 0.931 64.207 63.200 0.127 0.000 1.150 242 S HN 0.027 nan 8.310 nan 0.000 0.521 243 T N -0.545 114.056 114.554 0.079 0.000 2.915 243 T HA -0.088 4.261 4.350 -0.002 0.000 0.269 243 T C 1.397 176.147 174.700 0.083 0.000 1.071 243 T CA 1.925 64.044 62.100 0.031 0.000 1.132 243 T CB -0.628 68.220 68.868 -0.033 0.000 0.878 243 T HN 0.728 nan 8.240 nan 0.000 0.479 244 E N -0.001 120.242 120.200 0.072 0.000 2.107 244 E HA -0.103 4.246 4.350 -0.002 0.000 0.191 244 E C 2.097 178.725 176.600 0.047 0.000 0.982 244 E CA 0.953 57.384 56.400 0.051 0.000 0.809 244 E CB 0.011 29.732 29.700 0.035 0.000 0.756 244 E HN 0.645 nan 8.360 nan 0.000 0.459 245 E N -0.496 119.739 120.200 0.058 0.000 2.150 245 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 245 E C 1.674 178.221 176.600 -0.089 0.000 0.985 245 E CA 0.765 57.155 56.400 -0.017 0.000 0.814 245 E CB -0.066 29.617 29.700 -0.028 0.000 0.752 245 E HN 0.300 nan 8.360 nan 0.000 0.466 246 F N 0.157 120.056 119.950 -0.085 0.000 2.456 246 F HA 0.037 4.563 4.527 -0.001 0.000 0.298 246 F C 2.287 178.037 175.800 -0.084 0.000 1.104 246 F CA 0.896 58.830 58.000 -0.111 0.000 1.435 246 F CB 0.027 38.920 39.000 -0.178 0.000 1.078 246 F HN 0.021 nan 8.300 nan 0.000 0.546 247 G N -0.657 108.197 108.800 0.092 0.000 2.848 247 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.208 247 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.208 247 G C 1.276 176.173 174.900 -0.005 0.000 1.152 247 G CA 0.110 45.232 45.100 0.038 0.000 0.789 247 G HN 0.253 nan 8.290 nan 0.000 0.531 248 K N -0.191 120.191 120.400 -0.030 0.000 2.478 248 K HA 0.276 4.595 4.320 -0.002 0.000 0.205 248 K C -0.471 176.084 176.600 -0.075 0.000 1.033 248 K CA -0.545 55.712 56.287 -0.051 0.000 1.091 248 K CB 0.868 33.339 32.500 -0.048 0.000 0.844 248 K HN 0.133 nan 8.250 nan 0.000 0.507 249 I N 2.093 122.614 120.570 -0.082 0.000 2.517 249 I HA -0.037 4.132 4.170 -0.002 0.000 0.285 249 I C -0.095 175.979 176.117 -0.072 0.000 1.106 249 I CA -0.304 60.941 61.300 -0.091 0.000 1.402 249 I CB 0.343 38.286 38.000 -0.095 0.000 1.399 249 I HN 0.033 nan 8.210 nan 0.000 0.535 250 L N 7.997 129.178 121.223 -0.069 0.000 2.369 250 L HA 0.196 4.535 4.340 -0.002 0.000 0.279 250 L C 0.553 177.389 176.870 -0.057 0.000 1.108 250 L CA 0.638 55.439 54.840 -0.065 0.000 0.852 250 L CB 0.277 42.302 42.059 -0.056 0.000 1.169 250 L HN 0.630 nan 8.230 nan 0.000 0.452 251 L N 4.162 125.346 121.223 -0.065 0.000 2.071 251 L HA 0.130 4.469 4.340 -0.002 0.000 0.201 251 L C 0.424 177.273 176.870 -0.035 0.000 1.076 251 L CA 0.865 55.677 54.840 -0.047 0.000 0.755 251 L CB -0.303 41.721 42.059 -0.057 0.000 0.915 251 L HN 0.727 nan 8.230 nan 0.000 0.445 252 K N -1.471 118.900 120.400 -0.050 0.000 2.571 252 K HA 0.521 4.840 4.320 -0.002 0.000 0.289 252 K C -1.149 175.430 176.600 -0.035 0.000 1.028 252 K CA -0.760 55.512 56.287 -0.026 0.000 0.895 252 K CB 1.674 34.176 32.500 0.003 0.000 1.534 252 K HN -0.230 nan 8.250 nan 0.000 0.421 253 V N -0.087 119.820 119.914 -0.012 0.000 2.383 253 V HA 0.442 4.561 4.120 -0.002 0.000 0.261 253 V C -0.828 175.273 176.094 0.012 0.000 0.987 253 V CA -0.930 61.365 62.300 -0.008 0.000 0.853 253 V CB -0.423 31.392 31.823 -0.013 0.000 1.095 253 V HN 0.840 nan 8.190 nan 0.000 0.461 254 N N 1.994 120.713 118.700 0.032 0.000 2.374 254 N HA -0.038 4.701 4.740 -0.002 0.000 0.241 254 N C 0.254 175.785 175.510 0.035 0.000 1.262 254 N CA -0.032 53.046 53.050 0.047 0.000 0.880 254 N CB 0.330 38.869 38.487 0.085 0.000 1.105 254 N HN 0.620 nan 8.380 nan 0.000 0.438 255 Q N 0.306 120.123 119.800 0.029 0.000 2.426 255 Q HA -0.053 4.286 4.340 -0.002 0.000 0.253 255 Q C -0.539 175.475 176.000 0.022 0.000 1.313 255 Q CA 0.940 56.756 55.803 0.021 0.000 0.902 255 Q CB -0.143 28.605 28.738 0.017 0.000 1.563 255 Q HN 0.865 nan 8.270 nan 0.000 0.517 256 D N -0.233 120.179 120.400 0.021 0.000 1.294 256 D HA 0.000 4.639 4.640 -0.002 0.000 0.844 256 D C 0.760 177.070 176.300 0.017 0.000 0.420 256 D CA 1.048 55.061 54.000 0.021 0.000 1.370 256 D CB -0.409 40.410 40.800 0.032 0.000 0.992 256 D HN 0.496 nan 8.370 nan 0.000 0.399 257 G N 0.309 109.118 108.800 0.016 0.000 2.184 257 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.206 257 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.206 257 G C 0.357 175.261 174.900 0.007 0.000 0.995 257 G CA 0.385 45.490 45.100 0.008 0.000 0.651 257 G HN 0.467 nan 8.290 nan 0.000 0.511 258 S N -0.242 115.468 115.700 0.016 0.000 2.624 258 S HA 0.727 5.196 4.470 -0.002 0.000 0.263 258 S C 0.540 175.130 174.600 -0.017 0.000 1.287 258 S CA -0.029 58.179 58.200 0.013 0.000 0.990 258 S CB 0.963 64.193 63.200 0.050 0.000 0.950 258 S HN 0.502 nan 8.310 nan 0.000 0.561 259 R N 0.407 120.877 120.500 -0.050 0.000 2.575 259 R HA 0.505 4.844 4.340 -0.002 0.000 0.293 259 R C -1.711 174.476 176.300 -0.190 0.000 0.983 259 R CA -0.533 55.512 56.100 -0.092 0.000 0.887 259 R CB 1.702 31.960 30.300 -0.070 0.000 1.184 259 R HN 0.337 nan 8.270 nan 0.000 0.445 260 V N 5.223 124.992 119.914 -0.243 0.000 2.350 260 V HA 0.345 4.464 4.120 -0.002 0.000 0.276 260 V C -0.286 175.662 176.094 -0.242 0.000 1.028 260 V CA -0.664 61.393 62.300 -0.405 0.000 0.860 260 V CB 0.894 32.424 31.823 -0.488 0.000 0.990 260 V HN 0.495 nan 8.190 nan 0.000 0.453 261 L N 3.731 124.823 121.223 -0.218 0.000 2.332 261 L HA 0.463 4.802 4.340 -0.002 0.000 0.269 261 L C 0.947 177.759 176.870 -0.095 0.000 1.016 261 L CA -0.263 54.502 54.840 -0.124 0.000 0.809 261 L CB 1.223 43.228 42.059 -0.090 0.000 1.280 261 L HN 0.448 nan 8.230 nan 0.000 0.447 262 L N 0.933 122.127 121.223 -0.049 0.000 2.291 262 L HA -0.042 4.297 4.340 -0.002 0.000 0.214 262 L C 2.496 179.369 176.870 0.005 0.000 1.120 262 L CA 1.400 56.233 54.840 -0.012 0.000 0.799 262 L CB -0.616 41.452 42.059 0.015 0.000 0.925 262 L HN 0.751 nan 8.230 nan 0.000 0.446 263 R N -1.781 118.718 120.500 -0.002 0.000 2.115 263 R HA -0.064 4.275 4.340 -0.002 0.000 0.226 263 R C 1.399 177.705 176.300 0.009 0.000 1.100 263 R CA 1.424 57.531 56.100 0.012 0.000 0.980 263 R CB -0.699 29.606 30.300 0.009 0.000 0.875 263 R HN 0.224 nan 8.270 nan 0.000 0.445 264 D N 0.499 120.884 120.400 -0.024 0.000 2.183 264 D HA -0.073 4.566 4.640 -0.002 0.000 0.203 264 D C 1.737 178.048 176.300 0.019 0.000 0.969 264 D CA 0.923 54.907 54.000 -0.025 0.000 0.842 264 D CB 0.259 40.983 40.800 -0.126 0.000 0.957 264 D HN 0.150 nan 8.370 nan 0.000 0.484 265 V N -0.597 119.322 119.914 0.008 0.000 3.431 265 V HA 0.396 4.515 4.120 -0.002 0.000 0.253 265 V C 0.177 176.313 176.094 0.069 0.000 1.184 265 V CA 0.684 63.017 62.300 0.056 0.000 1.104 265 V CB 0.419 32.268 31.823 0.044 0.000 0.799 265 V HN 0.142 nan 8.190 nan 0.000 0.462 266 A N -0.043 122.818 122.820 0.068 0.000 2.515 266 A HA 0.570 4.889 4.320 -0.002 0.000 0.298 266 A C -0.641 177.009 177.584 0.111 0.000 1.059 266 A CA -0.669 51.428 52.037 0.101 0.000 0.698 266 A CB 1.301 20.355 19.000 0.091 0.000 1.289 266 A HN 0.109 nan 8.150 nan 0.000 0.404 267 K N 2.127 122.633 120.400 0.177 0.000 2.316 267 K HA 0.481 4.801 4.320 -0.002 0.000 0.289 267 K C -1.232 175.497 176.600 0.216 0.000 1.070 267 K CA -0.004 56.402 56.287 0.199 0.000 0.928 267 K CB 0.051 32.694 32.500 0.237 0.000 1.039 267 K HN 0.575 nan 8.250 nan 0.000 0.480 268 I N 5.395 126.033 120.570 0.113 0.000 2.355 268 I HA 0.182 4.351 4.170 -0.002 0.000 0.288 268 I C -0.210 175.926 176.117 0.032 0.000 0.999 268 I CA -0.400 60.914 61.300 0.025 0.000 1.163 268 I CB 1.368 39.359 38.000 -0.015 0.000 1.316 268 I HN 0.656 nan 8.210 nan 0.000 0.454 269 E N 6.069 126.286 120.200 0.030 0.000 2.367 269 E HA 0.488 4.837 4.350 -0.002 0.000 0.273 269 E C -1.431 175.122 176.600 -0.079 0.000 0.903 269 E CA -1.119 55.298 56.400 0.028 0.000 0.764 269 E CB 2.468 32.262 29.700 0.157 0.000 1.252 269 E HN 0.322 nan 8.360 nan 0.000 0.446 270 L N 2.322 123.443 121.223 -0.169 0.000 2.334 270 L HA 0.543 4.882 4.340 -0.002 0.000 0.286 270 L C -0.255 176.343 176.870 -0.453 0.000 1.108 270 L CA 0.482 55.104 54.840 -0.364 0.000 0.875 270 L CB 0.292 42.058 42.059 -0.488 0.000 1.246 270 L HN 0.723 nan 8.230 nan 0.000 0.439 271 G N 2.411 111.161 108.800 -0.084 0.000 2.714 271 G HA2 0.583 4.542 3.960 -0.002 0.000 0.292 271 G HA3 0.583 4.542 3.960 -0.002 0.000 0.292 271 G C -0.435 174.686 174.900 0.368 0.000 1.308 271 G CA -0.505 44.764 45.100 0.283 0.000 0.964 271 G HN 0.726 nan 8.290 nan 0.000 0.484 272 G N -0.971 107.972 108.800 0.237 0.000 2.491 272 G HA2 0.355 4.314 3.960 -0.002 0.000 0.238 272 G HA3 0.355 4.314 3.960 -0.002 0.000 0.238 272 G C 0.873 175.590 174.900 -0.305 0.000 1.277 272 G CA 0.513 45.557 45.100 -0.093 0.000 0.851 272 G HN 0.779 nan 8.290 nan 0.000 0.573 273 E N 0.714 120.801 120.200 -0.189 0.000 2.204 273 E HA -0.115 4.234 4.350 -0.002 0.000 0.195 273 E C 0.735 177.055 176.600 -0.466 0.000 0.990 273 E CA 0.815 57.053 56.400 -0.269 0.000 0.821 273 E CB -0.084 29.570 29.700 -0.077 0.000 0.750 273 E HN 0.528 nan 8.360 nan 0.000 0.477 274 N N -0.283 118.170 118.700 -0.413 0.000 2.277 274 N HA 0.048 4.787 4.740 -0.002 0.000 0.286 274 N C -1.743 173.534 175.510 -0.387 0.000 1.140 274 N CA -0.818 52.042 53.050 -0.317 0.000 0.799 274 N CB 0.977 39.366 38.487 -0.163 0.000 1.596 274 N HN 0.020 nan 8.380 nan 0.000 0.473 275 Y N 0.490 120.810 120.300 0.033 0.000 2.602 275 Y HA 0.344 4.893 4.550 -0.002 0.000 0.373 275 Y C 0.186 176.106 175.900 0.034 0.000 0.960 275 Y CA -0.599 57.529 58.100 0.047 0.000 1.281 275 Y CB 0.517 39.012 38.460 0.058 0.000 1.308 275 Y HN 0.499 nan 8.280 nan 0.000 0.595 276 D N 0.566 121.035 120.400 0.114 0.000 2.615 276 D HA 0.124 4.763 4.640 -0.002 0.000 0.259 276 D C 0.395 176.751 176.300 0.093 0.000 0.999 276 D CA 0.768 54.823 54.000 0.091 0.000 0.938 276 D CB 0.798 41.632 40.800 0.057 0.000 1.121 276 D HN 0.405 nan 8.370 nan 0.000 0.487 277 I N -0.039 120.593 120.570 0.102 0.000 2.362 277 I HA 0.467 4.636 4.170 -0.002 0.000 0.289 277 I C -0.781 175.409 176.117 0.121 0.000 0.994 277 I CA -1.155 60.228 61.300 0.138 0.000 1.158 277 I CB 1.486 39.622 38.000 0.227 0.000 1.315 277 I HN -0.196 nan 8.210 nan 0.000 0.451 278 I N 3.529 124.150 120.570 0.086 0.000 2.647 278 I HA 1.019 5.188 4.170 -0.002 0.000 0.295 278 I C -0.357 175.735 176.117 -0.042 0.000 1.078 278 I CA -0.903 60.421 61.300 0.039 0.000 1.048 278 I CB 1.929 39.949 38.000 0.033 0.000 1.239 278 I HN 0.771 nan 8.210 nan 0.000 0.421 279 A N 3.470 126.221 122.820 -0.114 0.000 2.374 279 A HA 0.943 5.262 4.320 -0.002 0.000 0.317 279 A C -0.926 176.457 177.584 -0.335 0.000 1.094 279 A CA -0.519 51.314 52.037 -0.339 0.000 0.765 279 A CB 1.343 19.990 19.000 -0.589 0.000 1.268 279 A HN 0.748 nan 8.150 nan 0.000 0.438 280 E N -0.035 119.914 120.200 -0.418 0.000 2.272 280 E HA 0.482 4.831 4.350 -0.002 0.000 0.269 280 E C -1.723 174.717 176.600 -0.267 0.000 0.877 280 E CA -0.253 55.990 56.400 -0.260 0.000 0.755 280 E CB 2.100 31.704 29.700 -0.161 0.000 1.192 280 E HN 0.466 nan 8.360 nan 0.000 0.422 281 F N 4.412 124.215 119.950 -0.244 0.000 2.313 281 F HA 0.330 4.856 4.527 -0.001 0.000 0.369 281 F C -0.041 175.720 175.800 -0.065 0.000 1.109 281 F CA -0.597 57.334 58.000 -0.114 0.000 1.132 281 F CB 0.126 39.128 39.000 0.004 0.000 1.291 281 F HN 0.441 nan 8.300 nan 0.000 0.496 282 N N 3.799 122.241 118.700 -0.430 0.000 2.741 282 N HA -0.204 4.535 4.740 -0.002 0.000 0.250 282 N C 1.006 176.428 175.510 -0.146 0.000 1.115 282 N CA 1.196 54.054 53.050 -0.320 0.000 0.724 282 N CB -1.514 36.740 38.487 -0.389 0.000 1.090 282 N HN 1.205 nan 8.380 nan 0.000 0.558 283 G N -0.518 108.215 108.800 -0.113 0.000 2.176 283 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.253 283 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.253 283 G C -0.220 174.657 174.900 -0.039 0.000 0.979 283 G CA 0.575 45.636 45.100 -0.064 0.000 0.641 283 G HN 0.655 nan 8.290 nan 0.000 0.530 284 Q N 1.599 121.389 119.800 -0.016 0.000 2.303 284 Q HA 0.484 4.823 4.340 -0.002 0.000 0.257 284 Q C -2.337 173.674 176.000 0.018 0.000 0.941 284 Q CA -2.344 53.472 55.803 0.022 0.000 0.931 284 Q CB 1.638 30.423 28.738 0.077 0.000 1.215 284 Q HN 0.215 nan 8.270 nan 0.000 0.437 285 P HA 0.014 nan 4.420 nan 0.000 0.258 285 P C -1.450 175.840 177.300 -0.017 0.000 1.187 285 P CA 0.450 63.536 63.100 -0.023 0.000 0.767 285 P CB 0.529 32.221 31.700 -0.014 0.000 0.770 286 A N 2.646 125.442 122.820 -0.040 0.000 2.589 286 A HA 0.566 4.885 4.320 -0.002 0.000 0.296 286 A C -0.642 176.938 177.584 -0.008 0.000 1.062 286 A CA -0.566 51.459 52.037 -0.019 0.000 0.686 286 A CB 1.514 20.526 19.000 0.020 0.000 1.282 286 A HN 0.385 nan 8.150 nan 0.000 0.404 287 S N -0.025 115.705 115.700 0.052 0.000 2.565 287 S HA 0.798 5.267 4.470 -0.002 0.000 0.290 287 S C 0.211 174.962 174.600 0.253 0.000 1.150 287 S CA 0.242 58.530 58.200 0.146 0.000 1.058 287 S CB 1.232 64.487 63.200 0.090 0.000 1.032 287 S HN 1.827 nan 8.310 nan 0.000 0.510 288 G N 2.036 111.109 108.800 0.456 0.000 2.519 288 G HA2 0.612 4.571 3.960 -0.002 0.000 0.307 288 G HA3 0.612 4.571 3.960 -0.002 0.000 0.307 288 G C -1.450 173.660 174.900 0.350 0.000 1.266 288 G CA -0.716 44.605 45.100 0.369 0.000 0.970 288 G HN 0.702 nan 8.290 nan 0.000 0.481 289 L N 2.335 123.625 121.223 0.111 0.000 2.475 289 L HA 0.351 4.690 4.340 -0.002 0.000 0.253 289 L C 1.097 177.961 176.870 -0.009 0.000 1.137 289 L CA -0.618 54.249 54.840 0.045 0.000 1.058 289 L CB 0.822 42.886 42.059 0.009 0.000 1.382 289 L HN 0.613 nan 8.230 nan 0.000 0.416 290 G N 3.611 112.402 108.800 -0.014 0.000 2.367 290 G HA2 0.420 4.379 3.960 -0.002 0.000 0.280 290 G HA3 0.420 4.379 3.960 -0.002 0.000 0.280 290 G C -0.220 174.667 174.900 -0.021 0.000 1.175 290 G CA -0.241 44.754 45.100 -0.175 0.000 1.001 290 G HN 0.431 nan 8.290 nan 0.000 0.437 291 I N 2.157 122.785 120.570 0.096 0.000 2.330 291 I HA 0.283 4.452 4.170 -0.002 0.000 0.289 291 I C 0.407 176.712 176.117 0.314 0.000 1.001 291 I CA -0.582 60.819 61.300 0.168 0.000 1.193 291 I CB 1.746 39.781 38.000 0.058 0.000 1.345 291 I HN 0.293 nan 8.210 nan 0.000 0.461 292 K N 6.167 126.704 120.400 0.227 0.000 2.130 292 K HA 0.487 4.806 4.320 -0.002 0.000 0.268 292 K C -0.660 175.950 176.600 0.015 0.000 0.983 292 K CA -0.646 55.658 56.287 0.028 0.000 0.893 292 K CB 1.277 33.737 32.500 -0.067 0.000 1.066 292 K HN 0.524 nan 8.250 nan 0.000 0.450 293 L N 2.841 124.055 121.223 -0.014 0.000 2.436 293 L HA 0.325 4.664 4.340 -0.002 0.000 0.265 293 L C 0.002 176.877 176.870 0.008 0.000 1.168 293 L CA -0.210 54.634 54.840 0.007 0.000 0.815 293 L CB 1.250 43.318 42.059 0.014 0.000 1.109 293 L HN 0.861 nan 8.230 nan 0.000 0.462 294 A N 2.309 125.138 122.820 0.014 0.000 2.286 294 A HA 0.434 4.753 4.320 -0.002 0.000 0.286 294 A C 0.039 177.632 177.584 0.015 0.000 1.097 294 A CA -0.392 51.653 52.037 0.013 0.000 0.821 294 A CB 0.343 19.349 19.000 0.011 0.000 1.076 294 A HN 0.740 nan 8.150 nan 0.000 0.490 295 T N 1.484 116.046 114.554 0.012 0.000 2.853 295 T HA 0.467 4.816 4.350 -0.002 0.000 0.298 295 T C 1.328 176.034 174.700 0.009 0.000 0.978 295 T CA 0.984 63.092 62.100 0.014 0.000 1.152 295 T CB 0.405 69.279 68.868 0.012 0.000 0.914 295 T HN 2.046 nan 8.240 nan 0.000 0.539 296 G N 3.007 111.819 108.800 0.019 0.000 3.127 296 G HA2 0.090 4.049 3.960 -0.002 0.000 0.280 296 G HA3 0.090 4.049 3.960 -0.002 0.000 0.280 296 G C 0.557 175.472 174.900 0.026 0.000 1.491 296 G CA 0.438 45.551 45.100 0.021 0.000 1.029 296 G HN 1.940 nan 8.290 nan 0.000 0.582 297 A N -0.067 122.764 122.820 0.019 0.000 5.938 297 A HA 0.139 4.458 4.320 -0.002 0.000 0.284 297 A C 0.391 177.991 177.584 0.026 0.000 1.994 297 A CA 2.509 54.557 52.037 0.020 0.000 0.717 297 A CB -1.439 17.573 19.000 0.020 0.000 1.191 297 A HN 2.758 nan 8.150 nan 0.000 0.377 298 N N -1.417 117.298 118.700 0.026 0.000 2.699 298 N HA 0.495 5.234 4.740 -0.002 0.000 0.271 298 N C 0.206 175.732 175.510 0.026 0.000 1.216 298 N CA 0.150 53.217 53.050 0.027 0.000 0.844 298 N CB 1.557 40.056 38.487 0.020 0.000 1.462 298 N HN 1.447 nan 8.380 nan 0.000 0.555 299 A N 1.988 124.830 122.820 0.036 0.000 1.837 299 A HA -0.186 4.133 4.320 -0.002 0.000 0.216 299 A C 1.850 179.444 177.584 0.017 0.000 1.210 299 A CA 1.300 53.358 52.037 0.035 0.000 0.632 299 A CB -0.517 18.516 19.000 0.055 0.000 0.843 299 A HN 0.539 nan 8.150 nan 0.000 0.448 300 L N -0.125 121.102 121.223 0.007 0.000 2.291 300 L HA -0.068 4.271 4.340 -0.002 0.000 0.214 300 L C 1.356 178.222 176.870 -0.007 0.000 1.120 300 L CA 2.220 57.057 54.840 -0.005 0.000 0.799 300 L CB -0.693 41.356 42.059 -0.017 0.000 0.925 300 L HN 0.453 nan 8.230 nan 0.000 0.446 301 D N -1.904 118.495 120.400 -0.002 0.000 2.224 301 D HA -0.126 4.513 4.640 -0.002 0.000 0.205 301 D C 1.966 178.267 176.300 0.001 0.000 0.965 301 D CA 1.375 55.373 54.000 -0.002 0.000 0.852 301 D CB -0.001 40.800 40.800 0.001 0.000 0.947 301 D HN 0.258 nan 8.370 nan 0.000 0.494 302 T N 0.031 114.589 114.554 0.005 0.000 2.701 302 T HA -0.078 4.271 4.350 -0.002 0.000 0.263 302 T C 2.054 176.757 174.700 0.004 0.000 1.040 302 T CA 1.311 63.415 62.100 0.007 0.000 1.147 302 T CB -0.356 68.519 68.868 0.012 0.000 0.865 302 T HN 0.189 nan 8.240 nan 0.000 0.426 303 A N 1.075 123.895 122.820 0.001 0.000 2.121 303 A HA 0.317 4.636 4.320 -0.002 0.000 0.218 303 A C 2.435 180.014 177.584 -0.008 0.000 1.154 303 A CA 1.401 53.436 52.037 -0.004 0.000 0.679 303 A CB -0.720 18.273 19.000 -0.010 0.000 0.795 303 A HN 0.485 nan 8.150 nan 0.000 0.458 304 A N -0.885 121.929 122.820 -0.009 0.000 2.066 304 A HA 0.355 4.674 4.320 -0.002 0.000 0.218 304 A C 2.063 179.642 177.584 -0.007 0.000 1.157 304 A CA 1.613 53.642 52.037 -0.013 0.000 0.670 304 A CB -0.332 18.658 19.000 -0.015 0.000 0.804 304 A HN 1.002 nan 8.150 nan 0.000 0.453 305 A N -1.593 121.226 122.820 -0.001 0.000 2.287 305 A HA 0.406 4.725 4.320 -0.002 0.000 0.214 305 A C 1.554 179.144 177.584 0.010 0.000 1.228 305 A CA 0.220 52.259 52.037 0.003 0.000 0.939 305 A CB -0.127 18.874 19.000 0.002 0.000 0.992 305 A HN 0.264 nan 8.150 nan 0.000 0.502 306 I N 0.295 120.872 120.570 0.012 0.000 2.394 306 I HA -0.115 4.054 4.170 -0.002 0.000 0.251 306 I C 2.346 178.484 176.117 0.035 0.000 1.136 306 I CA 1.261 62.574 61.300 0.021 0.000 1.425 306 I CB -0.180 37.832 38.000 0.020 0.000 1.079 306 I HN 0.354 nan 8.210 nan 0.000 0.425 307 R N 1.212 121.733 120.500 0.035 0.000 2.092 307 R HA -0.023 4.316 4.340 -0.002 0.000 0.231 307 R C 2.151 178.471 176.300 0.034 0.000 1.119 307 R CA 1.791 57.922 56.100 0.052 0.000 0.970 307 R CB -0.790 29.529 30.300 0.032 0.000 0.864 307 R HN 0.280 nan 8.270 nan 0.000 0.440 308 A N 0.205 123.035 122.820 0.017 0.000 1.933 308 A HA -0.138 4.181 4.320 -0.002 0.000 0.218 308 A C 2.087 179.679 177.584 0.012 0.000 1.175 308 A CA 1.699 53.742 52.037 0.009 0.000 0.628 308 A CB -0.575 18.427 19.000 0.003 0.000 0.814 308 A HN 0.473 nan 8.150 nan 0.000 0.444 309 E N -0.234 119.976 120.200 0.018 0.000 2.106 309 E HA -0.117 4.232 4.350 -0.002 0.000 0.192 309 E C 1.813 178.430 176.600 0.028 0.000 0.984 309 E CA 0.861 57.274 56.400 0.020 0.000 0.806 309 E CB -0.199 29.513 29.700 0.020 0.000 0.750 309 E HN 0.452 nan 8.360 nan 0.000 0.458 310 L N -0.235 121.010 121.223 0.036 0.000 2.217 310 L HA 0.084 4.423 4.340 -0.002 0.000 0.211 310 L C 1.952 178.824 176.870 0.004 0.000 1.107 310 L CA 1.756 56.624 54.840 0.045 0.000 0.783 310 L CB -0.956 41.143 42.059 0.068 0.000 0.919 310 L HN 0.231 nan 8.230 nan 0.000 0.442 311 A N -0.133 122.686 122.820 -0.001 0.000 1.969 311 A HA -0.135 4.184 4.320 -0.002 0.000 0.218 311 A C 2.007 179.554 177.584 -0.063 0.000 1.169 311 A CA 0.996 53.014 52.037 -0.032 0.000 0.635 311 A CB -0.232 18.760 19.000 -0.014 0.000 0.810 311 A HN 0.320 nan 8.150 nan 0.000 0.445 312 K N -0.345 120.039 120.400 -0.026 0.000 2.444 312 K HA 0.117 4.436 4.320 -0.002 0.000 0.193 312 K C 1.381 178.012 176.600 0.052 0.000 1.024 312 K CA 0.776 57.065 56.287 0.004 0.000 1.077 312 K CB 0.014 32.536 32.500 0.037 0.000 0.833 312 K HN 0.836 nan 8.250 nan 0.000 0.517 313 M N -2.337 117.254 119.600 -0.015 0.000 2.337 313 M HA 0.222 4.701 4.480 -0.002 0.000 0.256 313 M C 0.993 177.037 176.300 -0.427 0.000 1.075 313 M CA 0.383 55.705 55.300 0.035 0.000 1.024 313 M CB 0.013 32.686 32.600 0.121 0.000 1.429 313 M HN -0.132 nan 8.290 nan 0.000 0.497 314 E N 2.523 122.316 120.200 -0.678 0.000 2.118 314 E HA -0.134 4.215 4.350 -0.002 0.000 0.195 314 E C -0.672 175.518 176.600 -0.684 0.000 0.992 314 E CA 1.515 57.270 56.400 -1.074 0.000 0.804 314 E CB -1.124 28.262 29.700 -0.523 0.000 0.741 314 E HN 0.499 nan 8.360 nan 0.000 0.458 315 P HA -0.156 nan 4.420 nan 0.000 0.218 315 P C 0.696 177.757 177.300 -0.399 0.000 1.149 315 P CA 1.239 64.058 63.100 -0.468 0.000 0.817 315 P CB -0.117 31.182 31.700 -0.669 0.000 0.785 316 F N -1.909 118.030 119.950 -0.018 0.000 2.804 316 F HA 0.150 4.676 4.527 -0.002 0.000 0.303 316 F C 1.105 177.112 175.800 0.346 0.000 1.154 316 F CA -0.399 57.682 58.000 0.135 0.000 1.401 316 F CB -0.609 38.470 39.000 0.132 0.000 1.106 316 F HN -0.256 nan 8.300 nan 0.000 0.568 317 F N 3.072 123.136 119.950 0.190 0.000 2.471 317 F HA 0.224 4.750 4.527 -0.001 0.000 0.353 317 F C -1.000 174.814 175.800 0.023 0.000 1.113 317 F CA -3.632 54.441 58.000 0.122 0.000 1.262 317 F CB -0.349 38.685 39.000 0.055 0.000 1.146 317 F HN -0.085 nan 8.300 nan 0.000 0.578 318 P HA 0.145 nan 4.420 nan 0.000 0.329 318 P C -0.777 176.506 177.300 -0.029 0.000 1.319 318 P CA -0.492 62.601 63.100 -0.012 0.000 0.742 318 P CB 0.285 31.907 31.700 -0.130 0.000 1.564 319 S N -0.897 114.776 115.700 -0.045 0.000 2.498 319 S HA 0.374 4.843 4.470 -0.002 0.000 0.281 319 S C 1.289 175.855 174.600 -0.057 0.000 1.265 319 S CA 0.704 58.884 58.200 -0.033 0.000 1.071 319 S CB -0.781 62.404 63.200 -0.025 0.000 0.894 319 S HN 0.929 nan 8.310 nan 0.000 0.491 320 G N 2.728 111.508 108.800 -0.033 0.000 2.184 320 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.264 320 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.264 320 G C 0.091 174.954 174.900 -0.061 0.000 0.975 320 G CA -0.391 44.687 45.100 -0.038 0.000 0.642 320 G HN 0.619 nan 8.290 nan 0.000 0.536 321 L N 1.072 122.242 121.223 -0.089 0.000 2.433 321 L HA 0.402 4.741 4.340 -0.002 0.000 0.284 321 L C 0.572 177.441 176.870 -0.001 0.000 1.120 321 L CA 0.401 55.144 54.840 -0.161 0.000 0.879 321 L CB 0.521 42.331 42.059 -0.415 0.000 1.232 321 L HN 0.294 nan 8.230 nan 0.000 0.454 322 K N 4.191 124.571 120.400 -0.032 0.000 2.259 322 K HA 0.494 4.813 4.320 -0.002 0.000 0.249 322 K C -0.761 175.803 176.600 -0.060 0.000 0.942 322 K CA -0.835 55.455 56.287 0.005 0.000 0.816 322 K CB 1.871 34.359 32.500 -0.020 0.000 1.155 322 K HN 0.327 nan 8.250 nan 0.000 0.428 323 I N 5.257 125.796 120.570 -0.052 0.000 2.331 323 I HA 0.194 4.363 4.170 -0.002 0.000 0.292 323 I C 0.221 176.115 176.117 -0.373 0.000 0.998 323 I CA -0.534 60.645 61.300 -0.202 0.000 1.267 323 I CB 0.781 38.687 38.000 -0.156 0.000 1.386 323 I HN 0.436 nan 8.210 nan 0.000 0.476 324 V N 4.758 124.352 119.914 -0.534 0.000 3.113 324 V HA 0.580 4.700 4.120 -0.002 0.000 0.316 324 V C -1.292 174.386 176.094 -0.692 0.000 1.125 324 V CA -0.811 61.163 62.300 -0.544 0.000 1.026 324 V CB 2.073 33.511 31.823 -0.642 0.000 1.080 324 V HN 0.503 nan 8.190 nan 0.000 0.444 325 Y N 1.465 121.722 120.300 -0.073 0.000 2.787 325 Y HA 0.496 5.045 4.550 -0.002 0.000 0.352 325 Y C -1.739 174.191 175.900 0.051 0.000 1.027 325 Y CA -1.732 56.346 58.100 -0.037 0.000 1.219 325 Y CB 1.340 39.794 38.460 -0.009 0.000 1.110 325 Y HN 0.530 nan 8.280 nan 0.000 0.614 326 P HA -0.167 nan 4.420 nan 0.000 0.223 326 P C -0.346 177.060 177.300 0.178 0.000 1.151 326 P CA 1.447 64.695 63.100 0.246 0.000 0.787 326 P CB 0.811 32.651 31.700 0.233 0.000 0.788 327 Y N -0.319 119.930 120.300 -0.084 0.000 2.313 327 Y HA 0.456 5.006 4.550 -0.001 0.000 0.320 327 Y C -2.050 173.807 175.900 -0.072 0.000 1.171 327 Y CA -1.168 56.855 58.100 -0.129 0.000 1.093 327 Y CB 1.457 39.712 38.460 -0.342 0.000 1.224 327 Y HN -0.255 nan 8.280 nan 0.000 0.421 328 D N 3.436 124.020 120.400 0.307 0.000 2.964 328 D HA 0.214 4.853 4.640 -0.002 0.000 0.234 328 D C 0.204 176.612 176.300 0.180 0.000 1.223 328 D CA -0.230 53.824 54.000 0.091 0.000 0.889 328 D CB 2.289 43.118 40.800 0.047 0.000 1.609 328 D HN 0.571 nan 8.370 nan 0.000 0.523 329 T N -0.641 113.973 114.554 0.099 0.000 3.060 329 T HA 0.056 4.405 4.350 -0.002 0.000 0.249 329 T C 1.500 176.303 174.700 0.171 0.000 1.079 329 T CA 0.379 62.584 62.100 0.175 0.000 1.013 329 T CB 0.001 68.951 68.868 0.137 0.000 0.975 329 T HN 0.292 nan 8.240 nan 0.000 0.518 330 T N 3.355 117.964 114.554 0.091 0.000 2.708 330 T HA -0.019 4.330 4.350 -0.002 0.000 0.266 330 T C -0.404 174.342 174.700 0.077 0.000 1.037 330 T CA 1.487 63.619 62.100 0.053 0.000 1.146 330 T CB -1.128 67.733 68.868 -0.013 0.000 0.865 330 T HN 0.438 nan 8.240 nan 0.000 0.435 331 P HA -0.044 nan 4.420 nan 0.000 0.223 331 P C 1.346 178.746 177.300 0.168 0.000 1.151 331 P CA 0.802 63.974 63.100 0.120 0.000 0.787 331 P CB -0.188 31.608 31.700 0.161 0.000 0.788 332 F N 1.420 121.430 119.950 0.099 0.000 2.084 332 F HA -0.148 4.378 4.527 -0.001 0.000 0.296 332 F C 2.274 178.054 175.800 -0.034 0.000 1.111 332 F CA 1.305 59.348 58.000 0.072 0.000 1.224 332 F CB -0.977 38.101 39.000 0.130 0.000 0.991 332 F HN -0.249 nan 8.300 nan 0.000 0.471 333 V N 0.811 120.699 119.914 -0.043 0.000 2.490 333 V HA -0.272 3.847 4.120 -0.002 0.000 0.250 333 V C 2.392 178.378 176.094 -0.180 0.000 1.061 333 V CA 2.378 64.565 62.300 -0.189 0.000 1.064 333 V CB -0.654 31.131 31.823 -0.063 0.000 0.670 333 V HN 0.475 nan 8.190 nan 0.000 0.461 334 K N -0.712 119.626 120.400 -0.103 0.000 2.362 334 K HA -0.025 4.294 4.320 -0.002 0.000 0.200 334 K C 1.781 178.317 176.600 -0.107 0.000 1.046 334 K CA 1.544 57.778 56.287 -0.088 0.000 0.952 334 K CB -0.127 32.341 32.500 -0.054 0.000 0.753 334 K HN 0.609 nan 8.250 nan 0.000 0.466 335 I N -0.131 120.332 120.570 -0.179 0.000 3.081 335 I HA -0.129 4.040 4.170 -0.002 0.000 0.274 335 I C 1.583 177.543 176.117 -0.260 0.000 1.178 335 I CA 0.301 61.485 61.300 -0.194 0.000 1.460 335 I CB 0.279 38.115 38.000 -0.273 0.000 1.137 335 I HN 0.079 nan 8.210 nan 0.000 0.443 336 S N 0.304 115.762 115.700 -0.404 0.000 2.723 336 S HA 0.046 4.515 4.470 -0.002 0.000 0.231 336 S C 1.282 175.783 174.600 -0.165 0.000 0.967 336 S CA 0.659 58.640 58.200 -0.366 0.000 0.958 336 S CB -0.401 62.480 63.200 -0.532 0.000 0.778 336 S HN 0.356 nan 8.310 nan 0.000 0.537 337 I N -0.428 120.075 120.570 -0.112 0.000 4.033 337 I HA 0.208 4.377 4.170 -0.002 0.000 0.296 337 I C 2.011 178.124 176.117 -0.007 0.000 1.210 337 I CA 0.195 61.469 61.300 -0.043 0.000 1.341 337 I CB -0.151 37.823 38.000 -0.044 0.000 1.369 337 I HN 0.283 nan 8.210 nan 0.000 0.453 338 H N 1.293 120.299 119.070 -0.107 0.000 2.491 338 H HA 0.024 4.580 4.556 -0.002 0.000 0.290 338 H C 1.494 176.768 175.328 -0.090 0.000 1.050 338 H CA 1.464 57.458 56.048 -0.091 0.000 1.309 338 H CB 0.317 30.022 29.762 -0.096 0.000 1.392 338 H HN 0.117 nan 8.280 nan 0.000 0.554 339 E N -0.430 119.658 120.200 -0.185 0.000 2.479 339 E HA 0.039 4.388 4.350 -0.002 0.000 0.193 339 E C 1.447 177.967 176.600 -0.133 0.000 1.049 339 E CA 0.152 56.425 56.400 -0.211 0.000 0.870 339 E CB 0.715 30.304 29.700 -0.186 0.000 0.944 339 E HN 0.366 nan 8.360 nan 0.000 0.492 340 V N -0.386 119.472 119.914 -0.092 0.000 2.806 340 V HA -0.072 4.047 4.120 -0.002 0.000 0.239 340 V C 2.170 178.229 176.094 -0.058 0.000 1.113 340 V CA 0.499 62.768 62.300 -0.051 0.000 1.137 340 V CB 0.322 32.154 31.823 0.014 0.000 0.865 340 V HN 0.010 nan 8.190 nan 0.000 0.482 341 V N 0.506 120.391 119.914 -0.048 0.000 2.407 341 V HA -0.235 3.884 4.120 -0.002 0.000 0.248 341 V C 2.428 178.483 176.094 -0.065 0.000 1.055 341 V CA 2.206 64.488 62.300 -0.029 0.000 1.049 341 V CB -0.640 31.184 31.823 0.002 0.000 0.662 341 V HN 0.470 nan 8.190 nan 0.000 0.455 342 K N 0.552 120.871 120.400 -0.134 0.000 2.097 342 K HA -0.139 4.180 4.320 -0.002 0.000 0.206 342 K C 2.072 178.603 176.600 -0.115 0.000 1.049 342 K CA 1.997 58.192 56.287 -0.153 0.000 0.933 342 K CB -0.640 31.695 32.500 -0.274 0.000 0.717 342 K HN 0.527 nan 8.250 nan 0.000 0.442 343 T N 1.130 115.615 114.554 -0.116 0.000 2.857 343 T HA -0.072 4.277 4.350 -0.002 0.000 0.266 343 T C 1.694 176.341 174.700 -0.088 0.000 1.048 343 T CA 1.152 63.188 62.100 -0.106 0.000 1.139 343 T CB -0.223 68.571 68.868 -0.124 0.000 0.874 343 T HN 0.266 nan 8.240 nan 0.000 0.455 344 L N 1.239 122.420 121.223 -0.070 0.000 1.994 344 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 344 L C 2.415 179.268 176.870 -0.028 0.000 1.071 344 L CA 1.426 56.240 54.840 -0.043 0.000 0.745 344 L CB -0.493 41.560 42.059 -0.011 0.000 0.892 344 L HN 0.031 nan 8.230 nan 0.000 0.431 345 V N 0.272 120.169 119.914 -0.028 0.000 2.343 345 V HA -0.294 3.825 4.120 -0.002 0.000 0.247 345 V C 2.491 178.571 176.094 -0.024 0.000 1.051 345 V CA 2.248 64.537 62.300 -0.019 0.000 1.036 345 V CB -0.634 31.175 31.823 -0.024 0.000 0.654 345 V HN 0.515 nan 8.190 nan 0.000 0.451 346 E N 0.144 120.320 120.200 -0.040 0.000 2.085 346 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 346 E C 2.251 178.834 176.600 -0.029 0.000 0.994 346 E CA 1.312 57.688 56.400 -0.039 0.000 0.801 346 E CB -0.348 29.320 29.700 -0.054 0.000 0.743 346 E HN 0.604 nan 8.360 nan 0.000 0.453 347 A N 0.868 123.664 122.820 -0.040 0.000 2.070 347 A HA -0.146 4.173 4.320 -0.002 0.000 0.220 347 A C 1.952 179.537 177.584 0.002 0.000 1.159 347 A CA 0.883 52.897 52.037 -0.039 0.000 0.656 347 A CB -0.269 18.690 19.000 -0.069 0.000 0.800 347 A HN 0.127 nan 8.150 nan 0.000 0.453 348 I N -1.026 119.557 120.570 0.022 0.000 2.339 348 I HA -0.056 4.113 4.170 -0.002 0.000 0.245 348 I C 2.173 178.365 176.117 0.124 0.000 1.096 348 I CA 0.908 62.252 61.300 0.073 0.000 1.408 348 I CB -1.199 36.844 38.000 0.073 0.000 1.092 348 I HN 0.172 nan 8.210 nan 0.000 0.423 349 I N 0.547 121.158 120.570 0.068 0.000 2.353 349 I HA -0.190 3.979 4.170 -0.002 0.000 0.248 349 I C 2.387 178.560 176.117 0.094 0.000 1.119 349 I CA 0.927 62.265 61.300 0.063 0.000 1.417 349 I CB -0.353 37.629 38.000 -0.030 0.000 1.078 349 I HN 0.096 nan 8.210 nan 0.000 0.421 350 L N -0.479 120.775 121.223 0.052 0.000 2.201 350 L HA -0.111 4.228 4.340 -0.002 0.000 0.212 350 L C 2.441 179.349 176.870 0.062 0.000 1.105 350 L CA 1.262 56.128 54.840 0.043 0.000 0.775 350 L CB -0.766 41.297 42.059 0.007 0.000 0.913 350 L HN 0.135 nan 8.230 nan 0.000 0.440 351 V N -1.025 118.935 119.914 0.076 0.000 2.407 351 V HA -0.255 3.864 4.120 -0.002 0.000 0.245 351 V C 2.260 178.408 176.094 0.089 0.000 1.041 351 V CA 1.180 63.520 62.300 0.067 0.000 1.040 351 V CB -0.476 31.379 31.823 0.054 0.000 0.671 351 V HN 0.212 nan 8.190 nan 0.000 0.455 352 F N 0.040 119.986 119.950 -0.007 0.000 2.154 352 F HA -0.235 4.291 4.527 -0.002 0.000 0.301 352 F C 1.988 177.768 175.800 -0.033 0.000 1.087 352 F CA 1.705 59.691 58.000 -0.023 0.000 1.274 352 F CB 0.017 38.996 39.000 -0.034 0.000 1.009 352 F HN 0.072 nan 8.300 nan 0.000 0.485 353 L N -1.589 119.754 121.223 0.199 0.000 2.162 353 L HA -0.134 4.206 4.340 -0.002 0.000 0.205 353 L C 2.214 179.161 176.870 0.129 0.000 1.086 353 L CA 0.353 55.275 54.840 0.136 0.000 0.778 353 L CB -0.620 41.492 42.059 0.088 0.000 0.928 353 L HN -0.114 nan 8.230 nan 0.000 0.446 354 V N -0.300 119.676 119.914 0.103 0.000 2.427 354 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 354 V C 2.591 178.755 176.094 0.118 0.000 1.051 354 V CA 1.332 63.701 62.300 0.115 0.000 1.048 354 V CB -0.381 31.476 31.823 0.057 0.000 0.666 354 V HN 0.362 nan 8.190 nan 0.000 0.456 355 M N -1.231 118.394 119.600 0.041 0.000 2.132 355 M HA -0.161 4.318 4.480 -0.002 0.000 0.263 355 M C 2.220 178.534 176.300 0.024 0.000 1.065 355 M CA 1.823 57.120 55.300 -0.005 0.000 1.122 355 M CB -1.182 31.340 32.600 -0.130 0.000 1.365 355 M HN 0.442 nan 8.290 nan 0.000 0.411 356 Y N 0.510 120.744 120.300 -0.111 0.000 2.571 356 Y HA -0.076 4.473 4.550 -0.002 0.000 0.294 356 Y C 2.117 177.989 175.900 -0.047 0.000 1.141 356 Y CA 0.784 58.810 58.100 -0.123 0.000 1.308 356 Y CB 0.168 38.516 38.460 -0.186 0.000 1.002 356 Y HN 0.059 nan 8.280 nan 0.000 0.551 357 L N -1.663 119.624 121.223 0.107 0.000 2.130 357 L HA -0.088 4.251 4.340 -0.002 0.000 0.200 357 L C 1.586 178.477 176.870 0.036 0.000 1.075 357 L CA 1.718 56.593 54.840 0.058 0.000 0.768 357 L CB -0.872 41.276 42.059 0.148 0.000 0.933 357 L HN 0.173 nan 8.230 nan 0.000 0.451 358 F N 0.218 120.170 119.950 0.002 0.000 2.270 358 F HA -0.045 4.481 4.527 -0.002 0.000 0.295 358 F C 2.175 178.007 175.800 0.053 0.000 1.087 358 F CA 1.304 59.327 58.000 0.038 0.000 1.365 358 F CB 0.071 39.081 39.000 0.016 0.000 1.056 358 F HN 0.077 nan 8.300 nan 0.000 0.506 359 L N -2.076 119.246 121.223 0.165 0.000 2.781 359 L HA 0.421 4.760 4.340 -0.002 0.000 0.245 359 L C -0.514 176.340 176.870 -0.027 0.000 1.118 359 L CA -0.617 54.266 54.840 0.071 0.000 0.918 359 L CB -0.788 41.298 42.059 0.047 0.000 1.246 359 L HN 0.066 nan 8.230 nan 0.000 0.526 360 Q N 1.008 120.726 119.800 -0.138 0.000 3.246 360 Q HA -0.206 4.133 4.340 -0.002 0.000 0.030 360 Q C -0.500 175.293 176.000 -0.345 0.000 1.717 360 Q CA 1.442 56.979 55.803 -0.443 0.000 0.236 360 Q CB -1.785 26.694 28.738 -0.431 0.000 0.599 360 Q HN 0.668 nan 8.270 nan 0.000 0.323 361 N N -0.994 117.395 118.700 -0.519 0.000 4.218 361 N HA -0.114 4.625 4.740 -0.002 0.000 0.320 361 N C -0.738 174.856 175.510 0.141 0.000 2.219 361 N CA 0.250 53.293 53.050 -0.011 0.000 2.794 361 N CB -0.644 37.860 38.487 0.028 0.000 0.342 361 N HN 0.488 nan 8.380 nan 0.000 0.582 362 F N 1.064 121.191 119.950 0.295 0.000 2.202 362 F HA -0.081 4.445 4.527 -0.002 0.000 0.301 362 F C 2.239 178.103 175.800 0.105 0.000 1.082 362 F CA 1.089 59.219 58.000 0.218 0.000 1.313 362 F CB -0.017 39.129 39.000 0.243 0.000 1.024 362 F HN 0.424 nan 8.300 nan 0.000 0.495 363 R N -0.309 120.350 120.500 0.264 0.000 2.339 363 R HA 0.091 4.430 4.340 -0.002 0.000 0.199 363 R C 1.557 177.898 176.300 0.068 0.000 1.018 363 R CA 0.727 56.915 56.100 0.146 0.000 1.036 363 R CB -0.327 30.043 30.300 0.117 0.000 0.899 363 R HN 0.285 nan 8.270 nan 0.000 0.473 364 A N -0.015 122.826 122.820 0.036 0.000 2.140 364 A HA -0.002 4.317 4.320 -0.002 0.000 0.199 364 A C 1.946 179.480 177.584 -0.083 0.000 1.416 364 A CA 0.275 52.299 52.037 -0.022 0.000 1.018 364 A CB 0.057 19.040 19.000 -0.028 0.000 1.117 364 A HN 0.275 nan 8.150 nan 0.000 0.480 365 T N -1.713 112.746 114.554 -0.158 0.000 2.985 365 T HA 0.045 4.394 4.350 -0.002 0.000 0.266 365 T C 1.775 176.240 174.700 -0.392 0.000 1.076 365 T CA 0.843 62.713 62.100 -0.384 0.000 1.135 365 T CB -0.291 68.124 68.868 -0.756 0.000 0.890 365 T HN 0.095 nan 8.240 nan 0.000 0.480 366 L N 0.490 121.619 121.223 -0.157 0.000 1.994 366 L HA -0.006 4.333 4.340 -0.002 0.000 0.208 366 L C 2.613 179.492 176.870 0.016 0.000 1.071 366 L CA 1.630 56.474 54.840 0.008 0.000 0.745 366 L CB -1.001 41.139 42.059 0.135 0.000 0.892 366 L HN 0.287 nan 8.230 nan 0.000 0.431 367 I N 0.577 121.145 120.570 -0.004 0.000 2.087 367 I HA -0.251 3.918 4.170 -0.002 0.000 0.240 367 I C -0.443 175.674 176.117 0.001 0.000 1.054 367 I CA 1.973 63.273 61.300 -0.000 0.000 1.311 367 I CB -1.978 36.007 38.000 -0.024 0.000 1.024 367 I HN 0.239 nan 8.210 nan 0.000 0.402 368 P HA -0.058 nan 4.420 nan 0.000 0.233 368 P C 1.201 178.502 177.300 0.001 0.000 1.167 368 P CA 1.531 64.620 63.100 -0.019 0.000 0.770 368 P CB -0.309 31.365 31.700 -0.042 0.000 0.837 369 T N -4.199 110.359 114.554 0.005 0.000 3.065 369 T HA 0.109 4.458 4.350 -0.002 0.000 0.252 369 T C 1.674 176.443 174.700 0.114 0.000 1.099 369 T CA 0.085 62.229 62.100 0.072 0.000 1.063 369 T CB -0.468 68.475 68.868 0.126 0.000 0.948 369 T HN -0.122 nan 8.240 nan 0.000 0.506 370 I N 1.838 122.475 120.570 0.111 0.000 2.716 370 I HA 0.256 4.425 4.170 -0.002 0.000 0.259 370 I C 2.776 178.959 176.117 0.110 0.000 1.172 370 I CA 0.564 61.947 61.300 0.138 0.000 1.478 370 I CB -1.431 36.686 38.000 0.195 0.000 1.104 370 I HN 0.350 nan 8.210 nan 0.000 0.439 371 A N 0.895 123.762 122.820 0.079 0.000 2.167 371 A HA -0.016 4.303 4.320 -0.002 0.000 0.214 371 A C 2.285 179.891 177.584 0.036 0.000 1.151 371 A CA 1.285 53.356 52.037 0.057 0.000 0.735 371 A CB -0.579 18.443 19.000 0.036 0.000 0.802 371 A HN 0.327 nan 8.150 nan 0.000 0.467 372 V N -2.809 117.130 119.914 0.040 0.000 2.599 372 V HA 0.040 4.159 4.120 -0.002 0.000 0.245 372 V C -0.244 175.858 176.094 0.012 0.000 1.046 372 V CA 0.980 63.293 62.300 0.022 0.000 1.065 372 V CB -1.551 30.289 31.823 0.029 0.000 0.703 372 V HN 0.360 nan 8.190 nan 0.000 0.464 373 P HA 0.041 nan 4.420 nan 0.000 0.224 373 P C 1.938 179.245 177.300 0.013 0.000 1.157 373 P CA 1.093 64.212 63.100 0.032 0.000 0.799 373 P CB 0.119 31.854 31.700 0.057 0.000 0.809 374 V N 0.482 120.406 119.914 0.017 0.000 2.307 374 V HA -0.180 3.939 4.120 -0.002 0.000 0.245 374 V C 2.813 178.887 176.094 -0.034 0.000 1.045 374 V CA 1.647 63.953 62.300 0.009 0.000 1.024 374 V CB -1.222 30.620 31.823 0.033 0.000 0.651 374 V HN -0.067 nan 8.190 nan 0.000 0.449 375 V N 0.119 120.005 119.914 -0.047 0.000 2.332 375 V HA -0.276 3.843 4.120 -0.002 0.000 0.248 375 V C 2.359 178.350 176.094 -0.172 0.000 1.055 375 V CA 2.394 64.641 62.300 -0.089 0.000 1.038 375 V CB -0.599 31.179 31.823 -0.074 0.000 0.651 375 V HN 0.584 nan 8.190 nan 0.000 0.450 376 L N -0.797 120.311 121.223 -0.191 0.000 2.056 376 L HA -0.117 4.222 4.340 -0.002 0.000 0.207 376 L C 2.280 178.776 176.870 -0.624 0.000 1.078 376 L CA 1.665 56.289 54.840 -0.361 0.000 0.749 376 L CB -0.253 41.673 42.059 -0.222 0.000 0.901 376 L HN 0.173 nan 8.230 nan 0.000 0.433 377 L N 0.025 121.095 121.223 -0.255 0.000 1.994 377 L HA -0.136 4.203 4.340 -0.002 0.000 0.208 377 L C 2.562 179.390 176.870 -0.071 0.000 1.071 377 L CA 1.540 56.360 54.840 -0.034 0.000 0.745 377 L CB -1.219 40.912 42.059 0.120 0.000 0.892 377 L HN 0.457 nan 8.230 nan 0.000 0.431 378 G N -1.712 107.038 108.800 -0.085 0.000 2.535 378 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.218 378 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.218 378 G C 1.467 176.308 174.900 -0.099 0.000 1.122 378 G CA 1.156 46.225 45.100 -0.051 0.000 0.769 378 G HN 0.324 nan 8.290 nan 0.000 0.549 379 T N 0.750 115.151 114.554 -0.255 0.000 2.896 379 T HA 0.017 4.366 4.350 -0.002 0.000 0.263 379 T C 1.982 176.582 174.700 -0.167 0.000 1.050 379 T CA 0.509 62.443 62.100 -0.277 0.000 1.140 379 T CB -0.299 68.324 68.868 -0.408 0.000 0.877 379 T HN 0.381 nan 8.240 nan 0.000 0.457 380 F N 1.922 121.884 119.950 0.019 0.000 2.161 380 F HA -0.064 4.462 4.527 -0.002 0.000 0.300 380 F C 2.794 178.625 175.800 0.051 0.000 1.089 380 F CA 0.632 58.657 58.000 0.042 0.000 1.282 380 F CB -0.529 38.492 39.000 0.034 0.000 1.010 380 F HN 0.138 nan 8.300 nan 0.000 0.485 381 A N -0.396 122.544 122.820 0.200 0.000 1.877 381 A HA -0.143 4.176 4.320 -0.002 0.000 0.216 381 A C 2.144 179.806 177.584 0.129 0.000 1.186 381 A CA 1.676 53.797 52.037 0.140 0.000 0.620 381 A CB -1.101 17.958 19.000 0.097 0.000 0.822 381 A HN 0.231 nan 8.150 nan 0.000 0.443 382 V N -0.102 119.873 119.914 0.102 0.000 3.630 382 V HA 0.095 4.214 4.120 -0.002 0.000 0.273 382 V C 1.791 178.003 176.094 0.197 0.000 1.248 382 V CA 0.569 62.947 62.300 0.131 0.000 1.170 382 V CB -0.511 31.349 31.823 0.061 0.000 0.899 382 V HN 0.545 nan 8.190 nan 0.000 0.457 383 L N -0.289 121.049 121.223 0.192 0.000 2.179 383 L HA 0.044 4.383 4.340 -0.002 0.000 0.208 383 L C 2.600 179.640 176.870 0.284 0.000 1.096 383 L CA 1.269 56.258 54.840 0.249 0.000 0.779 383 L CB -0.531 41.675 42.059 0.245 0.000 0.922 383 L HN 0.457 nan 8.230 nan 0.000 0.443 384 A N 0.482 123.430 122.820 0.214 0.000 1.821 384 A HA 0.106 4.425 4.320 -0.002 0.000 0.215 384 A C 1.329 179.001 177.584 0.146 0.000 1.214 384 A CA 0.741 52.872 52.037 0.155 0.000 0.608 384 A CB -0.978 18.085 19.000 0.106 0.000 0.862 384 A HN 0.365 nan 8.150 nan 0.000 0.448 385 A N -2.577 120.340 122.820 0.161 0.000 2.058 385 A HA -0.056 4.263 4.320 -0.002 0.000 0.326 385 A C 0.644 178.166 177.584 -0.103 0.000 1.437 385 A CA 1.093 53.230 52.037 0.167 0.000 1.586 385 A CB -1.285 17.963 19.000 0.414 0.000 0.774 385 A HN 1.849 nan 8.150 nan 0.000 0.291 386 F N 0.640 120.425 119.950 -0.275 0.000 2.158 386 F HA -0.399 4.127 4.527 -0.002 0.000 0.446 386 F C 1.578 177.067 175.800 -0.517 0.000 1.089 386 F CA 3.399 61.144 58.000 -0.425 0.000 1.751 386 F CB -0.907 37.766 39.000 -0.545 0.000 0.996 386 F HN 1.723 nan 8.300 nan 0.000 0.226 387 G N -0.806 107.688 108.800 -0.510 0.000 5.233 387 G HA2 0.448 4.407 3.960 -0.002 0.000 0.203 387 G HA3 0.448 4.407 3.960 -0.002 0.000 0.203 387 G C -0.666 174.033 174.900 -0.336 0.000 0.734 387 G CA -0.069 44.861 45.100 -0.284 0.000 0.662 387 G HN 0.366 nan 8.290 nan 0.000 0.468 388 F N 0.102 120.152 119.950 0.167 0.000 2.690 388 F HA 0.691 5.217 4.527 -0.002 0.000 0.332 388 F C 1.466 177.338 175.800 0.120 0.000 1.215 388 F CA -1.016 57.063 58.000 0.131 0.000 1.086 388 F CB 0.140 39.212 39.000 0.120 0.000 1.828 388 F HN 0.016 nan 8.300 nan 0.000 0.519 389 S N -0.553 115.362 115.700 0.359 0.000 2.354 389 S HA 0.574 5.043 4.470 -0.002 0.000 0.209 389 S C -0.587 174.130 174.600 0.196 0.000 1.248 389 S CA -0.291 58.045 58.200 0.228 0.000 1.211 389 S CB 0.440 63.762 63.200 0.203 0.000 0.896 389 S HN 0.433 nan 8.310 nan 0.000 0.447 390 I N 1.697 122.377 120.570 0.183 0.000 5.621 390 I HA -0.061 4.108 4.170 -0.002 0.000 0.303 390 I C -1.554 174.631 176.117 0.112 0.000 1.815 390 I CA -0.229 61.166 61.300 0.157 0.000 2.036 390 I CB -0.470 37.607 38.000 0.127 0.000 3.367 390 I HN 0.455 nan 8.210 nan 0.000 0.170 391 N N 2.166 120.935 118.700 0.114 0.000 3.364 391 N HA 0.595 5.334 4.740 -0.002 0.000 0.294 391 N C -0.908 174.639 175.510 0.062 0.000 1.562 391 N CA -0.520 52.570 53.050 0.066 0.000 0.862 391 N CB 1.767 40.276 38.487 0.037 0.000 1.691 391 N HN 0.278 nan 8.380 nan 0.000 0.572 392 T N 0.474 115.043 114.554 0.025 0.000 2.919 392 T HA 0.472 4.821 4.350 -0.002 0.000 0.282 392 T C 1.307 176.015 174.700 0.013 0.000 1.020 392 T CA -0.252 61.861 62.100 0.021 0.000 0.994 392 T CB 1.549 70.398 68.868 -0.031 0.000 1.180 392 T HN 0.769 nan 8.240 nan 0.000 0.566 393 L N -0.844 120.408 121.223 0.048 0.000 5.121 393 L HA -0.329 4.010 4.340 -0.002 0.000 0.402 393 L C 1.610 178.515 176.870 0.059 0.000 0.826 393 L CA 2.472 57.366 54.840 0.090 0.000 2.021 393 L CB -2.216 39.874 42.059 0.052 0.000 1.272 393 L HN 0.920 nan 8.230 nan 0.000 0.617 394 T N -2.594 111.914 114.554 -0.077 0.000 2.985 394 T HA 0.064 4.413 4.350 -0.002 0.000 0.266 394 T C 1.378 176.253 174.700 0.293 0.000 1.076 394 T CA 1.172 63.150 62.100 -0.204 0.000 1.135 394 T CB -0.330 68.426 68.868 -0.188 0.000 0.890 394 T HN 0.531 nan 8.240 nan 0.000 0.480 395 M N -0.039 119.703 119.600 0.236 0.000 2.581 395 M HA 0.362 4.841 4.480 -0.002 0.000 0.224 395 M C 0.865 177.312 176.300 0.246 0.000 1.171 395 M CA 0.156 55.613 55.300 0.262 0.000 0.993 395 M CB -0.150 32.571 32.600 0.200 0.000 1.685 395 M HN 0.333 nan 8.290 nan 0.000 0.479 396 F N -1.053 118.951 119.950 0.091 0.000 2.581 396 F HA 0.358 4.884 4.527 -0.001 0.000 0.278 396 F C 2.005 177.864 175.800 0.098 0.000 1.000 396 F CA 0.376 58.409 58.000 0.055 0.000 1.230 396 F CB -0.105 38.913 39.000 0.029 0.000 1.008 396 F HN 0.030 nan 8.300 nan 0.000 0.695 397 G N 0.814 109.787 108.800 0.288 0.000 2.625 397 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.214 397 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.214 397 G C 1.369 176.370 174.900 0.170 0.000 1.132 397 G CA 0.862 46.114 45.100 0.253 0.000 0.782 397 G HN 0.338 nan 8.290 nan 0.000 0.538 398 M N 0.446 120.144 119.600 0.163 0.000 2.117 398 M HA -0.005 4.474 4.480 -0.002 0.000 0.262 398 M C 2.420 178.684 176.300 -0.061 0.000 1.065 398 M CA 1.252 56.582 55.300 0.049 0.000 1.114 398 M CB -0.044 32.622 32.600 0.110 0.000 1.361 398 M HN 0.042 nan 8.290 nan 0.000 0.408 399 V N -0.575 119.256 119.914 -0.137 0.000 2.719 399 V HA -0.137 3.982 4.120 -0.002 0.000 0.252 399 V C 2.164 178.129 176.094 -0.215 0.000 1.065 399 V CA 0.906 63.082 62.300 -0.206 0.000 1.086 399 V CB -0.950 30.685 31.823 -0.313 0.000 0.700 399 V HN 0.449 nan 8.190 nan 0.000 0.467 400 L N 1.019 122.120 121.223 -0.203 0.000 2.275 400 L HA 0.085 4.424 4.340 -0.002 0.000 0.215 400 L C 2.237 179.084 176.870 -0.038 0.000 1.119 400 L CA 1.969 56.745 54.840 -0.107 0.000 0.790 400 L CB -0.606 41.434 42.059 -0.032 0.000 0.919 400 L HN 0.240 nan 8.230 nan 0.000 0.443 401 A N -1.489 121.292 122.820 -0.066 0.000 2.147 401 A HA 0.052 4.371 4.320 -0.002 0.000 0.211 401 A C 2.034 179.592 177.584 -0.044 0.000 1.160 401 A CA 0.424 52.417 52.037 -0.072 0.000 0.781 401 A CB -0.584 18.323 19.000 -0.155 0.000 0.842 401 A HN 0.326 nan 8.150 nan 0.000 0.475 402 I N 0.478 121.008 120.570 -0.065 0.000 2.502 402 I HA -0.191 3.978 4.170 -0.002 0.000 0.258 402 I C 2.030 178.143 176.117 -0.007 0.000 1.172 402 I CA 1.051 62.315 61.300 -0.059 0.000 1.430 402 I CB -0.221 37.725 38.000 -0.090 0.000 1.086 402 I HN 0.297 nan 8.210 nan 0.000 0.440 403 G N -0.427 108.415 108.800 0.071 0.000 2.622 403 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.206 403 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.206 403 G C 1.490 176.505 174.900 0.193 0.000 1.458 403 G CA 0.581 45.850 45.100 0.282 0.000 0.919 403 G HN 0.367 nan 8.290 nan 0.000 0.508 404 L N 0.354 121.686 121.223 0.183 0.000 2.411 404 L HA -0.381 3.958 4.340 -0.002 0.000 0.234 404 L C 2.923 179.803 176.870 0.016 0.000 1.140 404 L CA 2.683 57.552 54.840 0.048 0.000 0.850 404 L CB -0.532 41.543 42.059 0.026 0.000 0.970 404 L HN 0.513 nan 8.230 nan 0.000 0.441 405 L N -2.936 118.288 121.223 0.002 0.000 2.079 405 L HA -0.163 4.176 4.340 -0.002 0.000 0.210 405 L C 2.219 179.088 176.870 -0.001 0.000 1.081 405 L CA 1.649 56.481 54.840 -0.014 0.000 0.752 405 L CB -1.191 40.846 42.059 -0.036 0.000 0.896 405 L HN 0.151 nan 8.230 nan 0.000 0.433 406 V N 0.734 120.658 119.914 0.016 0.000 2.515 406 V HA -0.211 3.908 4.120 -0.002 0.000 0.250 406 V C 1.814 177.913 176.094 0.009 0.000 1.058 406 V CA 2.025 64.336 62.300 0.018 0.000 1.064 406 V CB -0.901 30.944 31.823 0.036 0.000 0.675 406 V HN 0.463 nan 8.190 nan 0.000 0.461 407 D N -0.753 119.652 120.400 0.009 0.000 2.271 407 D HA -0.072 4.567 4.640 -0.002 0.000 0.206 407 D C 1.846 178.131 176.300 -0.025 0.000 0.967 407 D CA 0.575 54.566 54.000 -0.015 0.000 0.867 407 D CB -0.174 40.604 40.800 -0.037 0.000 0.960 407 D HN 0.284 nan 8.370 nan 0.000 0.509 408 D N -0.041 120.347 120.400 -0.021 0.000 2.277 408 D HA 0.072 4.711 4.640 -0.002 0.000 0.208 408 D C 1.732 178.022 176.300 -0.016 0.000 0.962 408 D CA 0.396 54.382 54.000 -0.024 0.000 0.865 408 D CB 0.364 41.150 40.800 -0.024 0.000 0.939 408 D HN 0.144 nan 8.370 nan 0.000 0.510 409 A N 0.374 123.187 122.820 -0.011 0.000 2.044 409 A HA 0.092 4.411 4.320 -0.002 0.000 0.213 409 A C 2.188 179.767 177.584 -0.008 0.000 1.169 409 A CA -0.086 51.947 52.037 -0.007 0.000 0.724 409 A CB -0.276 18.722 19.000 -0.003 0.000 0.840 409 A HN 0.241 nan 8.150 nan 0.000 0.463 410 I N -0.021 120.542 120.570 -0.012 0.000 2.361 410 I HA -0.200 3.969 4.170 -0.002 0.000 0.251 410 I C 2.036 178.150 176.117 -0.005 0.000 1.133 410 I CA 1.040 62.330 61.300 -0.017 0.000 1.413 410 I CB 0.151 38.133 38.000 -0.030 0.000 1.073 410 I HN 0.187 nan 8.210 nan 0.000 0.424 411 V N 0.665 120.582 119.914 0.004 0.000 2.270 411 V HA -0.235 3.884 4.120 -0.002 0.000 0.245 411 V C 2.472 178.589 176.094 0.038 0.000 1.043 411 V CA 1.866 64.185 62.300 0.032 0.000 1.014 411 V CB -0.785 31.058 31.823 0.033 0.000 0.645 411 V HN 0.472 nan 8.190 nan 0.000 0.447 412 V N -1.620 118.306 119.914 0.020 0.000 2.515 412 V HA -0.129 3.990 4.120 -0.002 0.000 0.250 412 V C 2.214 178.315 176.094 0.011 0.000 1.058 412 V CA 1.696 64.007 62.300 0.018 0.000 1.064 412 V CB -0.937 30.890 31.823 0.006 0.000 0.675 412 V HN 0.307 nan 8.190 nan 0.000 0.461 413 V N 0.812 120.728 119.914 0.003 0.000 2.307 413 V HA -0.180 3.939 4.120 -0.002 0.000 0.245 413 V C 2.861 178.956 176.094 0.002 0.000 1.045 413 V CA 2.330 64.628 62.300 -0.005 0.000 1.024 413 V CB -0.708 31.107 31.823 -0.015 0.000 0.651 413 V HN 0.695 nan 8.190 nan 0.000 0.449 414 E N 0.932 121.138 120.200 0.010 0.000 2.072 414 E HA -0.259 4.090 4.350 -0.002 0.000 0.191 414 E C 1.989 178.606 176.600 0.027 0.000 0.985 414 E CA 1.726 58.136 56.400 0.018 0.000 0.801 414 E CB -0.462 29.250 29.700 0.020 0.000 0.750 414 E HN 0.713 nan 8.360 nan 0.000 0.452 415 N N -0.289 118.437 118.700 0.043 0.000 2.272 415 N HA -0.134 4.605 4.740 -0.002 0.000 0.185 415 N C 1.914 177.445 175.510 0.036 0.000 1.014 415 N CA 1.105 54.189 53.050 0.057 0.000 0.870 415 N CB 0.254 38.799 38.487 0.096 0.000 0.975 415 N HN 0.022 nan 8.380 nan 0.000 0.433 416 V N 0.899 120.826 119.914 0.022 0.000 2.379 416 V HA -0.097 4.022 4.120 -0.002 0.000 0.245 416 V C 2.121 178.219 176.094 0.006 0.000 1.044 416 V CA 1.325 63.632 62.300 0.011 0.000 1.036 416 V CB -0.388 31.436 31.823 0.002 0.000 0.664 416 V HN 0.275 nan 8.190 nan 0.000 0.453 417 E N 0.286 120.489 120.200 0.005 0.000 2.204 417 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 417 E C 2.341 178.945 176.600 0.006 0.000 0.989 417 E CA 1.008 57.410 56.400 0.002 0.000 0.824 417 E CB -0.045 29.657 29.700 0.004 0.000 0.756 417 E HN 0.594 nan 8.360 nan 0.000 0.477 418 R N 0.804 121.311 120.500 0.011 0.000 2.062 418 R HA -0.092 4.248 4.340 -0.002 0.000 0.226 418 R C 2.424 178.726 176.300 0.004 0.000 1.125 418 R CA 1.518 57.622 56.100 0.007 0.000 0.966 418 R CB -0.232 30.069 30.300 0.001 0.000 0.861 418 R HN 0.110 nan 8.270 nan 0.000 0.433 419 V N -1.059 118.859 119.914 0.007 0.000 2.809 419 V HA -0.095 4.024 4.120 -0.002 0.000 0.256 419 V C 2.273 178.368 176.094 0.001 0.000 1.080 419 V CA 1.678 63.982 62.300 0.006 0.000 1.102 419 V CB -0.608 31.223 31.823 0.014 0.000 0.705 419 V HN 0.370 nan 8.190 nan 0.000 0.475 420 M N 0.722 120.321 119.600 -0.001 0.000 2.200 420 M HA 0.026 4.505 4.480 -0.002 0.000 0.265 420 M C 2.189 178.483 176.300 -0.011 0.000 1.066 420 M CA 1.978 57.274 55.300 -0.007 0.000 1.127 420 M CB -0.231 32.363 32.600 -0.010 0.000 1.379 420 M HN 0.503 nan 8.290 nan 0.000 0.420 421 A N -0.169 122.646 122.820 -0.008 0.000 2.016 421 A HA -0.099 4.220 4.320 -0.002 0.000 0.217 421 A C 1.767 179.351 177.584 -0.001 0.000 1.162 421 A CA 1.286 53.317 52.037 -0.009 0.000 0.662 421 A CB -0.307 18.694 19.000 0.001 0.000 0.812 421 A HN 0.618 nan 8.150 nan 0.000 0.450 422 E N -0.689 119.512 120.200 0.002 0.000 2.075 422 E HA -0.046 4.303 4.350 -0.002 0.000 0.193 422 E C 1.834 178.433 176.600 -0.002 0.000 0.950 422 E CA 0.496 56.898 56.400 0.003 0.000 0.859 422 E CB -0.106 29.595 29.700 0.001 0.000 0.846 422 E HN 0.437 nan 8.360 nan 0.000 0.467 423 E N -0.201 119.998 120.200 -0.002 0.000 2.150 423 E HA -0.091 4.258 4.350 -0.002 0.000 0.193 423 E C 1.510 178.107 176.600 -0.006 0.000 0.985 423 E CA 1.099 57.498 56.400 -0.002 0.000 0.814 423 E CB 0.203 29.903 29.700 0.001 0.000 0.752 423 E HN 0.483 nan 8.360 nan 0.000 0.466 424 G N 0.867 109.663 108.800 -0.008 0.000 2.284 424 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.230 424 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.230 424 G C 0.312 175.206 174.900 -0.010 0.000 1.021 424 G CA 0.230 45.323 45.100 -0.011 0.000 0.619 424 G HN 0.202 nan 8.290 nan 0.000 0.510 425 L N 2.457 123.676 121.223 -0.007 0.000 2.418 425 L HA 0.314 4.653 4.340 -0.002 0.000 0.274 425 L C -0.445 176.421 176.870 -0.007 0.000 1.135 425 L CA -1.165 53.671 54.840 -0.006 0.000 0.870 425 L CB 1.084 43.140 42.059 -0.004 0.000 1.154 425 L HN 0.085 nan 8.230 nan 0.000 0.462 426 P HA 0.147 nan 4.420 nan 0.000 0.234 426 P C -2.084 175.211 177.300 -0.009 0.000 1.175 426 P CA 0.287 63.382 63.100 -0.009 0.000 0.801 426 P CB -0.420 31.275 31.700 -0.009 0.000 0.891 427 P HA 0.265 nan 4.420 nan 0.000 0.344 427 P C 1.179 178.473 177.300 -0.010 0.000 1.321 427 P CA -0.295 62.799 63.100 -0.009 0.000 0.773 427 P CB 0.877 32.572 31.700 -0.008 0.000 1.723 428 K N -0.533 119.860 120.400 -0.011 0.000 2.147 428 K HA -0.147 4.172 4.320 -0.002 0.000 0.205 428 K C 1.793 178.388 176.600 -0.008 0.000 1.049 428 K CA 1.545 57.825 56.287 -0.013 0.000 0.936 428 K CB -0.268 32.224 32.500 -0.014 0.000 0.722 428 K HN 0.330 nan 8.250 nan 0.000 0.446 429 E N 0.405 120.601 120.200 -0.006 0.000 2.333 429 E HA -0.148 4.202 4.350 -0.002 0.000 0.198 429 E C 1.642 178.242 176.600 -0.000 0.000 1.007 429 E CA 0.964 57.362 56.400 -0.003 0.000 0.845 429 E CB -0.077 29.621 29.700 -0.003 0.000 0.766 429 E HN 0.327 nan 8.360 nan 0.000 0.507 430 A N 0.075 122.895 122.820 -0.001 0.000 1.897 430 A HA -0.128 4.191 4.320 -0.002 0.000 0.215 430 A C 2.253 179.841 177.584 0.007 0.000 1.181 430 A CA 1.658 53.697 52.037 0.003 0.000 0.620 430 A CB -0.688 18.312 19.000 0.000 0.000 0.821 430 A HN 0.235 nan 8.150 nan 0.000 0.443 431 T N -0.551 114.004 114.554 0.002 0.000 2.614 431 T HA -0.152 4.197 4.350 -0.002 0.000 0.263 431 T C 1.974 176.678 174.700 0.007 0.000 1.055 431 T CA 1.559 63.661 62.100 0.003 0.000 1.162 431 T CB -0.308 68.557 68.868 -0.006 0.000 0.863 431 T HN 0.448 nan 8.240 nan 0.000 0.414 432 R N 1.217 121.718 120.500 0.002 0.000 2.293 432 R HA -0.232 4.107 4.340 -0.002 0.000 0.245 432 R C 2.175 178.480 176.300 0.008 0.000 1.105 432 R CA 2.142 58.244 56.100 0.002 0.000 0.916 432 R CB -0.314 29.986 30.300 -0.000 0.000 0.963 432 R HN 0.368 nan 8.270 nan 0.000 0.429 433 K N -0.586 119.822 120.400 0.013 0.000 2.366 433 K HA 0.054 4.373 4.320 -0.002 0.000 0.198 433 K C 2.075 178.696 176.600 0.034 0.000 1.044 433 K CA 1.011 57.310 56.287 0.020 0.000 0.973 433 K CB 0.208 32.719 32.500 0.019 0.000 0.767 433 K HN 0.160 nan 8.250 nan 0.000 0.475 434 S N 1.525 117.247 115.700 0.038 0.000 2.356 434 S HA -0.111 4.358 4.470 -0.002 0.000 0.223 434 S C 1.771 176.402 174.600 0.052 0.000 1.032 434 S CA 1.332 59.568 58.200 0.061 0.000 1.005 434 S CB -0.092 63.140 63.200 0.054 0.000 0.867 434 S HN 0.281 nan 8.310 nan 0.000 0.449 435 M N 1.175 120.790 119.600 0.025 0.000 2.630 435 M HA 0.027 4.506 4.480 -0.002 0.000 0.254 435 M C 2.099 178.399 176.300 0.000 0.000 1.092 435 M CA 0.535 55.840 55.300 0.007 0.000 1.087 435 M CB -0.421 32.179 32.600 0.001 0.000 1.453 435 M HN 0.427 nan 8.290 nan 0.000 0.509 436 G N -0.266 108.541 108.800 0.011 0.000 2.471 436 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.219 436 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.219 436 G C 1.366 176.268 174.900 0.003 0.000 1.125 436 G CA 0.411 45.516 45.100 0.008 0.000 0.775 436 G HN 0.474 nan 8.290 nan 0.000 0.548 437 Q N -0.546 119.259 119.800 0.009 0.000 2.247 437 Q HA 0.338 4.677 4.340 -0.002 0.000 0.211 437 Q C 0.670 176.584 176.000 -0.144 0.000 0.861 437 Q CA -0.107 55.679 55.803 -0.029 0.000 0.949 437 Q CB 0.285 29.077 28.738 0.090 0.000 1.115 437 Q HN 0.550 nan 8.270 nan 0.000 0.507 438 I N 0.121 120.637 120.570 -0.089 0.000 3.326 438 I HA 0.077 4.247 4.170 -0.002 0.000 0.336 438 I C 1.058 177.139 176.117 -0.060 0.000 1.543 438 I CA -0.179 61.055 61.300 -0.109 0.000 1.013 438 I CB 0.423 38.373 38.000 -0.083 0.000 1.468 438 I HN 0.101 nan 8.210 nan 0.000 0.515 439 Q N 1.483 121.257 119.800 -0.043 0.000 2.008 439 Q HA 0.069 4.408 4.340 -0.002 0.000 0.196 439 Q C 1.963 177.949 176.000 -0.023 0.000 0.973 439 Q CA 1.527 57.315 55.803 -0.025 0.000 0.826 439 Q CB -0.492 28.238 28.738 -0.014 0.000 0.894 439 Q HN 0.405 nan 8.270 nan 0.000 0.439 440 G N 0.362 109.161 108.800 -0.003 0.000 2.683 440 G HA2 0.164 4.123 3.960 -0.002 0.000 0.213 440 G HA3 0.164 4.123 3.960 -0.002 0.000 0.213 440 G C 1.285 176.157 174.900 -0.046 0.000 1.142 440 G CA 0.267 45.367 45.100 0.001 0.000 0.793 440 G HN 0.468 nan 8.290 nan 0.000 0.534 441 A N -0.117 122.676 122.820 -0.044 0.000 2.259 441 A HA 0.484 4.803 4.320 -0.002 0.000 0.208 441 A C 1.785 179.314 177.584 -0.091 0.000 1.201 441 A CA 0.360 52.344 52.037 -0.088 0.000 0.824 441 A CB -0.083 18.836 19.000 -0.136 0.000 0.838 441 A HN 0.328 nan 8.150 nan 0.000 0.485 442 L N -1.841 119.338 121.223 -0.074 0.000 2.588 442 L HA 0.080 4.419 4.340 -0.002 0.000 0.194 442 L C 2.244 179.076 176.870 -0.063 0.000 1.070 442 L CA 0.956 55.759 54.840 -0.061 0.000 0.852 442 L CB -0.463 41.570 42.059 -0.043 0.000 1.199 442 L HN 0.213 nan 8.230 nan 0.000 0.486 443 V N 0.163 120.040 119.914 -0.061 0.000 2.283 443 V HA -0.071 4.048 4.120 -0.002 0.000 0.243 443 V C 2.615 178.656 176.094 -0.089 0.000 1.039 443 V CA 1.902 64.165 62.300 -0.060 0.000 1.016 443 V CB -1.135 30.661 31.823 -0.045 0.000 0.650 443 V HN 0.513 nan 8.190 nan 0.000 0.449 444 G N 1.061 109.788 108.800 -0.123 0.000 2.418 444 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.217 444 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.217 444 G C 1.591 176.367 174.900 -0.206 0.000 1.158 444 G CA 1.286 46.272 45.100 -0.190 0.000 0.771 444 G HN 0.673 nan 8.290 nan 0.000 0.545 445 I N -0.655 119.800 120.570 -0.193 0.000 2.286 445 I HA 0.027 4.196 4.170 -0.002 0.000 0.248 445 I C 2.770 178.810 176.117 -0.128 0.000 1.115 445 I CA 1.700 62.897 61.300 -0.171 0.000 1.392 445 I CB -0.364 37.553 38.000 -0.139 0.000 1.065 445 I HN 0.128 nan 8.210 nan 0.000 0.418 446 A N 0.802 123.565 122.820 -0.095 0.000 1.930 446 A HA -0.107 4.212 4.320 -0.002 0.000 0.217 446 A C 2.266 179.808 177.584 -0.071 0.000 1.175 446 A CA 2.013 54.014 52.037 -0.059 0.000 0.627 446 A CB -0.648 18.325 19.000 -0.044 0.000 0.815 446 A HN 0.529 nan 8.150 nan 0.000 0.443 447 M N -0.056 119.488 119.600 -0.093 0.000 2.394 447 M HA -0.061 4.418 4.480 -0.002 0.000 0.264 447 M C 1.625 177.852 176.300 -0.122 0.000 1.073 447 M CA 1.388 56.633 55.300 -0.092 0.000 1.111 447 M CB -0.012 32.534 32.600 -0.090 0.000 1.401 447 M HN 0.372 nan 8.290 nan 0.000 0.448 448 V N -4.108 115.710 119.914 -0.159 0.000 3.660 448 V HA 0.112 4.231 4.120 -0.002 0.000 0.276 448 V C 1.808 177.741 176.094 -0.268 0.000 1.317 448 V CA 0.282 62.465 62.300 -0.195 0.000 1.097 448 V CB -0.888 30.813 31.823 -0.203 0.000 0.863 448 V HN 0.341 nan 8.190 nan 0.000 0.438 449 L N 0.614 121.691 121.223 -0.244 0.000 1.988 449 L HA -0.093 4.246 4.340 -0.002 0.000 0.207 449 L C 2.886 179.379 176.870 -0.628 0.000 1.071 449 L CA 2.114 56.732 54.840 -0.369 0.000 0.744 449 L CB -0.609 41.444 42.059 -0.010 0.000 0.893 449 L HN 0.420 nan 8.230 nan 0.000 0.433 450 S N -0.600 114.998 115.700 -0.169 0.000 2.440 450 S HA -0.189 4.280 4.470 -0.002 0.000 0.238 450 S C 2.004 176.500 174.600 -0.172 0.000 1.010 450 S CA 1.095 59.269 58.200 -0.043 0.000 0.972 450 S CB -0.124 63.074 63.200 -0.004 0.000 0.774 450 S HN 0.455 nan 8.310 nan 0.000 0.501 451 A N 0.641 123.318 122.820 -0.238 0.000 1.972 451 A HA -0.040 4.279 4.320 -0.002 0.000 0.219 451 A C 2.253 179.706 177.584 -0.219 0.000 1.169 451 A CA 1.766 53.691 52.037 -0.185 0.000 0.635 451 A CB -0.752 18.152 19.000 -0.159 0.000 0.810 451 A HN 0.743 nan 8.150 nan 0.000 0.446 452 V N -4.096 115.584 119.914 -0.391 0.000 2.878 452 V HA 0.042 4.161 4.120 -0.002 0.000 0.250 452 V C 2.087 178.055 176.094 -0.209 0.000 1.075 452 V CA 0.858 62.958 62.300 -0.333 0.000 1.096 452 V CB -1.226 30.368 31.823 -0.382 0.000 0.724 452 V HN 0.444 nan 8.190 nan 0.000 0.467 453 F N 1.950 121.845 119.950 -0.091 0.000 2.050 453 F HA 0.010 4.536 4.527 -0.002 0.000 0.284 453 F C 2.659 178.378 175.800 -0.135 0.000 1.194 453 F CA 1.463 59.406 58.000 -0.096 0.000 1.131 453 F CB -0.894 38.052 39.000 -0.090 0.000 1.009 453 F HN 0.080 nan 8.300 nan 0.000 0.487 454 V N -1.284 118.666 119.914 0.059 0.000 2.370 454 V HA -0.195 3.924 4.120 -0.002 0.000 0.252 454 V C -0.907 175.005 176.094 -0.303 0.000 1.068 454 V CA 1.393 63.635 62.300 -0.097 0.000 1.061 454 V CB -2.639 29.123 31.823 -0.102 0.000 0.656 454 V HN 0.253 nan 8.190 nan 0.000 0.455 455 P HA 0.025 nan 4.420 nan 0.000 0.247 455 P C 1.447 178.422 177.300 -0.542 0.000 1.225 455 P CA 0.857 63.531 63.100 -0.710 0.000 0.768 455 P CB 0.009 31.590 31.700 -0.198 0.000 1.020 456 M N 0.014 119.445 119.600 -0.281 0.000 2.492 456 M HA 0.091 4.570 4.480 -0.002 0.000 0.262 456 M C 1.679 177.984 176.300 0.007 0.000 1.090 456 M CA 0.814 56.043 55.300 -0.117 0.000 1.110 456 M CB -0.335 32.257 32.600 -0.013 0.000 1.407 456 M HN -0.111 nan 8.290 nan 0.000 0.470 457 A N -0.675 122.067 122.820 -0.128 0.000 2.265 457 A HA 0.078 4.397 4.320 -0.002 0.000 0.213 457 A C 0.133 177.725 177.584 0.013 0.000 1.255 457 A CA 0.244 52.396 52.037 0.192 0.000 0.862 457 A CB -1.017 18.028 19.000 0.075 0.000 0.852 457 A HN 0.492 nan 8.150 nan 0.000 0.484 458 F N 0.049 120.030 119.950 0.051 0.000 2.730 458 F HA 0.264 4.790 4.527 -0.002 0.000 0.295 458 F C 0.789 176.479 175.800 -0.182 0.000 1.143 458 F CA -2.490 55.415 58.000 -0.157 0.000 1.367 458 F CB -1.546 37.400 39.000 -0.089 0.000 0.970 458 F HN 0.345 nan 8.300 nan 0.000 0.514 459 F N -0.419 119.616 119.950 0.141 0.000 2.364 459 F HA 0.459 4.985 4.527 -0.002 0.000 0.277 459 F C 1.337 177.214 175.800 0.129 0.000 1.218 459 F CA -0.308 57.768 58.000 0.126 0.000 1.302 459 F CB -0.782 38.319 39.000 0.168 0.000 1.443 459 F HN 0.001 nan 8.300 nan 0.000 0.498 460 G N -1.534 107.559 108.800 0.488 0.000 3.227 460 G HA2 0.479 4.438 3.960 -0.002 0.000 0.171 460 G HA3 0.479 4.438 3.960 -0.002 0.000 0.171 460 G C 0.554 175.661 174.900 0.344 0.000 1.463 460 G CA -0.374 44.908 45.100 0.305 0.000 1.016 460 G HN 1.025 nan 8.290 nan 0.000 0.594 461 G N -1.604 107.367 108.800 0.283 0.000 2.645 461 G HA2 0.208 4.167 3.960 -0.002 0.000 0.210 461 G HA3 0.208 4.167 3.960 -0.002 0.000 0.210 461 G C 1.426 176.446 174.900 0.201 0.000 1.304 461 G CA 1.260 46.498 45.100 0.229 0.000 0.556 461 G HN 0.498 nan 8.290 nan 0.000 1.003 462 S N 0.097 115.914 115.700 0.195 0.000 2.497 462 S HA 0.092 4.561 4.470 -0.002 0.000 0.218 462 S C 1.656 176.359 174.600 0.171 0.000 1.023 462 S CA 0.717 59.009 58.200 0.154 0.000 0.913 462 S CB 0.457 63.738 63.200 0.136 0.000 0.800 462 S HN 0.319 nan 8.310 nan 0.000 0.505 463 T N 2.588 117.311 114.554 0.283 0.000 3.609 463 T HA 0.317 4.666 4.350 -0.002 0.000 0.245 463 T C 1.429 176.219 174.700 0.149 0.000 0.980 463 T CA 0.464 62.750 62.100 0.309 0.000 0.940 463 T CB -1.326 67.792 68.868 0.417 0.000 1.105 463 T HN 0.404 nan 8.240 nan 0.000 0.627 464 G N 1.903 110.773 108.800 0.116 0.000 3.164 464 G HA2 -0.294 3.666 3.960 -0.002 0.000 0.708 464 G HA3 -0.294 3.666 3.960 -0.002 0.000 0.708 464 G C 0.889 175.772 174.900 -0.030 0.000 0.965 464 G CA 0.566 45.712 45.100 0.077 0.000 0.779 464 G HN 1.107 nan 8.290 nan 0.000 1.074 465 A N -0.792 121.840 122.820 -0.314 0.000 3.003 465 A HA 0.590 4.909 4.320 -0.002 0.000 0.301 465 A C 1.690 178.961 177.584 -0.523 0.000 1.280 465 A CA -0.165 51.336 52.037 -0.894 0.000 0.973 465 A CB -0.056 18.439 19.000 -0.841 0.000 1.110 465 A HN 0.416 nan 8.150 nan 0.000 0.590 466 I N -1.151 119.202 120.570 -0.361 0.000 2.493 466 I HA -0.177 3.992 4.170 -0.002 0.000 0.254 466 I C 1.511 177.334 176.117 -0.490 0.000 1.160 466 I CA 1.623 62.678 61.300 -0.408 0.000 1.445 466 I CB -1.184 36.556 38.000 -0.433 0.000 1.086 466 I HN 0.614 nan 8.210 nan 0.000 0.433 467 Y N 0.131 120.320 120.300 -0.184 0.000 2.523 467 Y HA 0.093 4.642 4.550 -0.002 0.000 0.279 467 Y C 2.516 178.339 175.900 -0.129 0.000 1.139 467 Y CA 0.244 58.273 58.100 -0.118 0.000 1.296 467 Y CB -0.127 38.308 38.460 -0.042 0.000 1.045 467 Y HN 0.015 nan 8.280 nan 0.000 0.538 468 R N 0.178 120.560 120.500 -0.197 0.000 2.317 468 R HA -0.009 4.330 4.340 -0.002 0.000 0.208 468 R C 1.149 177.353 176.300 -0.161 0.000 0.914 468 R CA 0.142 56.127 56.100 -0.191 0.000 1.060 468 R CB 0.243 30.272 30.300 -0.452 0.000 1.015 468 R HN 0.165 nan 8.270 nan 0.000 0.498 469 Q N -0.377 119.269 119.800 -0.256 0.000 2.541 469 Q HA -0.008 4.331 4.340 -0.002 0.000 0.215 469 Q C -0.282 175.400 176.000 -0.529 0.000 0.977 469 Q CA 0.911 56.481 55.803 -0.387 0.000 0.934 469 Q CB 0.124 28.657 28.738 -0.341 0.000 0.988 469 Q HN 0.159 nan 8.270 nan 0.000 0.521 470 F N -2.704 117.204 119.950 -0.070 0.000 4.230 470 F HA 0.275 4.802 4.527 -0.001 0.000 0.329 470 F C 1.410 177.160 175.800 -0.083 0.000 1.192 470 F CA -0.196 57.756 58.000 -0.081 0.000 0.892 470 F CB -0.299 38.645 39.000 -0.093 0.000 1.833 470 F HN -0.163 nan 8.300 nan 0.000 0.507 471 S N -0.266 115.505 115.700 0.118 0.000 1.466 471 S HA -0.236 4.233 4.470 -0.002 0.000 0.244 471 S C 1.039 175.569 174.600 -0.116 0.000 0.723 471 S CA 1.162 59.369 58.200 0.012 0.000 1.234 471 S CB -1.259 61.981 63.200 0.067 0.000 1.451 471 S HN 0.401 nan 8.310 nan 0.000 0.507 472 I N 1.825 122.340 120.570 -0.092 0.000 2.133 472 I HA -0.087 4.082 4.170 -0.002 0.000 0.238 472 I C 2.493 178.316 176.117 -0.490 0.000 1.074 472 I CA 2.376 63.527 61.300 -0.248 0.000 1.342 472 I CB -0.666 37.240 38.000 -0.158 0.000 1.053 472 I HN 0.483 nan 8.210 nan 0.000 0.404 473 T N -0.161 113.799 114.554 -0.990 0.000 3.054 473 T HA 0.086 4.435 4.350 -0.002 0.000 0.259 473 T C 1.812 176.008 174.700 -0.841 0.000 1.092 473 T CA 0.511 61.918 62.100 -1.155 0.000 1.121 473 T CB -0.094 67.667 68.868 -1.844 0.000 0.912 473 T HN 0.055 nan 8.240 nan 0.000 0.489 474 I N 0.700 120.805 120.570 -0.775 0.000 2.394 474 I HA -0.095 4.074 4.170 -0.002 0.000 0.251 474 I C 2.247 178.043 176.117 -0.534 0.000 1.136 474 I CA 0.860 61.776 61.300 -0.639 0.000 1.425 474 I CB -0.256 37.242 38.000 -0.837 0.000 1.079 474 I HN 0.087 nan 8.210 nan 0.000 0.425 475 V N -0.596 119.066 119.914 -0.420 0.000 2.323 475 V HA -0.195 3.924 4.120 -0.002 0.000 0.244 475 V C 2.250 178.208 176.094 -0.227 0.000 1.041 475 V CA 1.855 64.032 62.300 -0.205 0.000 1.025 475 V CB -0.483 31.271 31.823 -0.115 0.000 0.656 475 V HN 0.360 nan 8.190 nan 0.000 0.451 476 S N 0.011 115.524 115.700 -0.311 0.000 2.584 476 S HA -0.025 4.444 4.470 -0.002 0.000 0.240 476 S C 1.755 176.202 174.600 -0.255 0.000 0.975 476 S CA 1.022 59.059 58.200 -0.272 0.000 0.949 476 S CB -0.197 62.815 63.200 -0.313 0.000 0.761 476 S HN 0.632 nan 8.310 nan 0.000 0.536 477 A N 1.791 124.446 122.820 -0.276 0.000 1.938 477 A HA 0.196 4.515 4.320 -0.002 0.000 0.207 477 A C 2.003 179.499 177.584 -0.147 0.000 1.292 477 A CA 0.821 52.726 52.037 -0.220 0.000 0.700 477 A CB -0.542 18.310 19.000 -0.246 0.000 0.947 477 A HN 0.526 nan 8.150 nan 0.000 0.476 478 M N 0.268 119.787 119.600 -0.135 0.000 2.132 478 M HA 0.174 4.653 4.480 -0.002 0.000 0.263 478 M C 1.883 178.153 176.300 -0.049 0.000 1.065 478 M CA 2.361 57.624 55.300 -0.061 0.000 1.122 478 M CB -0.865 31.742 32.600 0.012 0.000 1.365 478 M HN 0.192 nan 8.290 nan 0.000 0.411 479 A N 0.292 123.074 122.820 -0.063 0.000 2.014 479 A HA 0.083 4.402 4.320 -0.002 0.000 0.218 479 A C 2.232 179.785 177.584 -0.051 0.000 1.163 479 A CA 1.056 53.062 52.037 -0.052 0.000 0.652 479 A CB -0.747 18.218 19.000 -0.059 0.000 0.808 479 A HN 0.543 nan 8.150 nan 0.000 0.449 480 L N -0.378 120.802 121.223 -0.072 0.000 2.109 480 L HA -0.054 4.285 4.340 -0.002 0.000 0.207 480 L C 2.667 179.509 176.870 -0.046 0.000 1.086 480 L CA 2.191 56.994 54.840 -0.061 0.000 0.760 480 L CB -0.994 41.011 42.059 -0.091 0.000 0.910 480 L HN 0.475 nan 8.230 nan 0.000 0.437 481 S N -0.605 115.064 115.700 -0.053 0.000 2.345 481 S HA -0.098 4.371 4.470 -0.002 0.000 0.220 481 S C 1.453 176.038 174.600 -0.024 0.000 1.031 481 S CA 0.899 59.077 58.200 -0.037 0.000 0.996 481 S CB -0.080 63.096 63.200 -0.040 0.000 0.882 481 S HN 0.210 nan 8.310 nan 0.000 0.445 482 V N 2.953 122.850 119.914 -0.027 0.000 3.299 482 V HA 0.173 4.292 4.120 -0.002 0.000 0.369 482 V C 0.982 177.067 176.094 -0.014 0.000 1.245 482 V CA 0.357 62.644 62.300 -0.022 0.000 1.459 482 V CB -0.160 31.647 31.823 -0.027 0.000 1.203 482 V HN 0.480 nan 8.190 nan 0.000 0.451 483 L N -1.117 120.101 121.223 -0.009 0.000 2.627 483 L HA 0.193 4.532 4.340 -0.002 0.000 0.253 483 L C 1.844 178.722 176.870 0.014 0.000 1.042 483 L CA 1.077 55.919 54.840 0.003 0.000 1.110 483 L CB 0.407 42.467 42.059 0.001 0.000 2.151 483 L HN 0.204 nan 8.230 nan 0.000 0.539 484 V N 0.960 120.878 119.914 0.007 0.000 2.302 484 V HA -0.014 4.105 4.120 -0.002 0.000 0.243 484 V C 2.488 178.594 176.094 0.020 0.000 1.036 484 V CA 1.605 63.917 62.300 0.019 0.000 1.020 484 V CB -0.613 31.217 31.823 0.011 0.000 0.657 484 V HN 0.411 nan 8.190 nan 0.000 0.453 485 A N -1.141 121.684 122.820 0.007 0.000 2.248 485 A HA 0.018 4.337 4.320 -0.002 0.000 0.210 485 A C 2.001 179.588 177.584 0.004 0.000 1.174 485 A CA 1.091 53.131 52.037 0.005 0.000 0.750 485 A CB -0.338 18.660 19.000 -0.004 0.000 0.780 485 A HN 0.518 nan 8.150 nan 0.000 0.478 486 L N -1.417 119.811 121.223 0.008 0.000 2.262 486 L HA 0.186 4.525 4.340 -0.002 0.000 0.197 486 L C 2.173 179.056 176.870 0.021 0.000 1.073 486 L CA 0.728 55.573 54.840 0.010 0.000 0.800 486 L CB -0.045 42.019 42.059 0.007 0.000 0.987 486 L HN 0.375 nan 8.230 nan 0.000 0.470 487 I N -0.599 119.993 120.570 0.036 0.000 2.206 487 I HA -0.139 4.030 4.170 -0.002 0.000 0.239 487 I C 1.232 177.382 176.117 0.054 0.000 1.078 487 I CA 0.181 61.516 61.300 0.058 0.000 1.367 487 I CB -0.089 37.963 38.000 0.087 0.000 1.078 487 I HN 0.110 nan 8.210 nan 0.000 0.413 488 L N 0.515 121.770 121.223 0.053 0.000 2.540 488 L HA 0.111 4.450 4.340 -0.002 0.000 0.215 488 L C 1.590 178.469 176.870 0.015 0.000 1.204 488 L CA 1.437 56.302 54.840 0.042 0.000 0.841 488 L CB 0.074 42.174 42.059 0.069 0.000 1.420 488 L HN 0.681 nan 8.230 nan 0.000 0.519 489 T N -2.196 112.358 114.554 0.001 0.000 13.594 489 T HA -0.259 4.090 4.350 -0.002 0.000 0.419 489 T C -1.052 173.633 174.700 -0.026 0.000 1.441 489 T CA 1.128 63.220 62.100 -0.013 0.000 2.350 489 T CB -3.068 65.798 68.868 -0.004 0.000 2.790 489 T HN 0.442 nan 8.240 nan 0.000 0.516 490 P HA -0.201 nan 4.420 nan 0.000 0.222 490 P C 1.691 178.971 177.300 -0.032 0.000 1.155 490 P CA 3.117 66.207 63.100 -0.017 0.000 0.890 490 P CB -0.730 30.966 31.700 -0.006 0.000 0.790 491 A N -1.450 121.347 122.820 -0.038 0.000 1.898 491 A HA -0.077 4.242 4.320 -0.002 0.000 0.214 491 A C 2.317 179.818 177.584 -0.138 0.000 1.183 491 A CA 1.082 53.078 52.037 -0.068 0.000 0.622 491 A CB -1.403 17.570 19.000 -0.045 0.000 0.824 491 A HN 0.157 nan 8.150 nan 0.000 0.444 492 L N -0.607 120.524 121.223 -0.153 0.000 2.217 492 L HA -0.154 4.185 4.340 -0.002 0.000 0.211 492 L C 2.171 178.962 176.870 -0.132 0.000 1.107 492 L CA 0.827 55.543 54.840 -0.207 0.000 0.783 492 L CB -0.191 41.770 42.059 -0.163 0.000 0.919 492 L HN 0.509 nan 8.230 nan 0.000 0.442 493 C N -0.826 118.425 119.300 -0.082 0.000 2.448 493 C HA 0.018 4.477 4.460 -0.002 0.000 0.280 493 C C 2.858 177.815 174.990 -0.054 0.000 1.398 493 C CA 0.580 59.565 59.018 -0.055 0.000 1.774 493 C CB -0.994 26.726 27.740 -0.033 0.000 1.888 493 C HN 0.624 nan 8.230 nan 0.000 0.519 494 A N 1.332 124.112 122.820 -0.066 0.000 1.975 494 A HA -0.047 4.272 4.320 -0.002 0.000 0.215 494 A C 2.249 179.790 177.584 -0.071 0.000 1.170 494 A CA 1.917 53.920 52.037 -0.057 0.000 0.656 494 A CB -0.804 18.165 19.000 -0.051 0.000 0.821 494 A HN 0.624 nan 8.150 nan 0.000 0.449 495 T N -2.616 111.871 114.554 -0.111 0.000 2.698 495 T HA 0.130 4.479 4.350 -0.002 0.000 0.260 495 T C 0.998 175.645 174.700 -0.089 0.000 1.044 495 T CA 1.191 63.214 62.100 -0.127 0.000 1.149 495 T CB -0.274 68.452 68.868 -0.237 0.000 0.864 495 T HN 0.223 nan 8.240 nan 0.000 0.419 496 M N 0.705 120.252 119.600 -0.090 0.000 2.369 496 M HA 0.652 5.131 4.480 -0.002 0.000 0.291 496 M C -1.468 174.814 176.300 -0.030 0.000 1.178 496 M CA -1.089 54.184 55.300 -0.045 0.000 0.996 496 M CB 0.536 33.116 32.600 -0.033 0.000 1.472 496 M HN 0.414 nan 8.290 nan 0.000 0.496 497 L N 0.807 122.024 121.223 -0.010 0.000 1.598 497 L HA 0.024 4.363 4.340 -0.002 0.000 0.349 497 L C -0.824 176.044 176.870 -0.003 0.000 1.071 497 L CA 0.828 55.664 54.840 -0.006 0.000 1.192 497 L CB -0.549 41.501 42.059 -0.015 0.000 0.360 497 L HN 1.015 nan 8.230 nan 0.000 0.094 514 G N -0.540 107.795 108.800 -0.776 0.000 4.695 514 G HA2 0.147 4.106 3.960 -0.002 0.000 0.229 514 G HA3 0.147 4.106 3.960 -0.002 0.000 0.229 514 G C -0.264 174.301 174.900 -0.558 0.000 2.630 514 G CA -0.429 44.402 45.100 -0.448 0.000 0.626 514 G HN 0.225 nan 8.290 nan 0.000 0.234 515 W N 0.020 121.016 121.300 -0.506 0.000 2.704 515 W HA 0.169 4.828 4.660 -0.002 0.000 0.266 515 W C 1.561 177.835 176.519 -0.409 0.000 1.266 515 W CA 0.115 57.171 57.345 -0.481 0.000 1.377 515 W CB -0.444 28.675 29.460 -0.568 0.000 1.082 515 W HN 0.454 nan 8.180 nan 0.000 0.608 516 F N 1.285 121.370 119.950 0.224 0.000 2.451 516 F HA -0.059 4.467 4.527 -0.002 0.000 0.299 516 F C 1.703 177.657 175.800 0.256 0.000 1.101 516 F CA 0.859 58.987 58.000 0.214 0.000 1.436 516 F CB -1.533 37.608 39.000 0.235 0.000 1.074 516 F HN -0.069 nan 8.300 nan 0.000 0.553 517 N N 0.510 119.352 118.700 0.237 0.000 2.223 517 N HA -0.133 4.606 4.740 -0.002 0.000 0.185 517 N C 1.881 177.483 175.510 0.152 0.000 1.016 517 N CA 0.565 53.712 53.050 0.162 0.000 0.863 517 N CB -0.130 38.377 38.487 0.034 0.000 0.983 517 N HN 0.287 nan 8.380 nan 0.000 0.429 518 R N 1.002 121.560 120.500 0.097 0.000 2.062 518 R HA -0.028 4.311 4.340 -0.002 0.000 0.231 518 R C 2.446 178.777 176.300 0.053 0.000 1.136 518 R CA 1.396 57.526 56.100 0.050 0.000 0.948 518 R CB -0.120 30.189 30.300 0.016 0.000 0.845 518 R HN 0.309 nan 8.270 nan 0.000 0.430 519 M N -1.191 118.440 119.600 0.051 0.000 2.492 519 M HA 0.011 4.490 4.480 -0.002 0.000 0.262 519 M C 1.368 177.673 176.300 0.010 0.000 1.090 519 M CA 1.560 56.861 55.300 0.001 0.000 1.110 519 M CB -0.659 31.902 32.600 -0.065 0.000 1.407 519 M HN 0.021 nan 8.290 nan 0.000 0.470 520 F N 2.256 122.234 119.950 0.047 0.000 2.186 520 F HA -0.059 4.467 4.527 -0.001 0.000 0.299 520 F C 2.383 178.223 175.800 0.066 0.000 1.090 520 F CA 1.513 59.550 58.000 0.062 0.000 1.307 520 F CB -0.033 39.007 39.000 0.067 0.000 1.019 520 F HN 0.288 nan 8.300 nan 0.000 0.489 521 E N -0.246 120.094 120.200 0.232 0.000 2.208 521 E HA -0.146 4.203 4.350 -0.002 0.000 0.193 521 E C 1.945 178.628 176.600 0.139 0.000 0.988 521 E CA 0.562 57.061 56.400 0.164 0.000 0.828 521 E CB 0.057 29.811 29.700 0.090 0.000 0.763 521 E HN 0.218 nan 8.360 nan 0.000 0.478 522 K N 0.308 120.749 120.400 0.069 0.000 2.296 522 K HA 0.047 4.366 4.320 -0.002 0.000 0.200 522 K C 2.117 178.796 176.600 0.132 0.000 1.048 522 K CA 0.434 56.754 56.287 0.055 0.000 0.966 522 K CB 0.013 32.508 32.500 -0.009 0.000 0.754 522 K HN -0.056 nan 8.250 nan 0.000 0.466 523 S N 0.687 116.450 115.700 0.106 0.000 2.345 523 S HA -0.039 4.430 4.470 -0.002 0.000 0.219 523 S C 0.820 175.535 174.600 0.191 0.000 1.031 523 S CA 0.964 59.243 58.200 0.132 0.000 0.984 523 S CB -0.066 63.131 63.200 -0.005 0.000 0.874 523 S HN 0.316 nan 8.310 nan 0.000 0.451 524 T N 1.070 115.733 114.554 0.181 0.000 2.869 524 T HA 0.344 4.693 4.350 -0.002 0.000 0.295 524 T C 0.528 175.356 174.700 0.214 0.000 0.987 524 T CA 0.252 62.453 62.100 0.169 0.000 1.109 524 T CB 1.018 69.985 68.868 0.164 0.000 0.932 524 T HN 0.556 nan 8.240 nan 0.000 0.518 525 H N 2.359 121.434 119.070 0.008 0.000 5.079 525 H HA -0.334 4.221 4.556 -0.001 0.000 0.060 525 H C 1.179 176.431 175.328 -0.127 0.000 0.559 525 H CA 2.950 58.948 56.048 -0.084 0.000 0.996 525 H CB -1.521 28.168 29.762 -0.123 0.000 0.490 525 H HN 0.912 nan 8.280 nan 0.000 0.776 526 H N -1.651 117.316 119.070 -0.171 0.000 2.561 526 H HA 0.081 4.636 4.556 -0.002 0.000 0.278 526 H C 1.489 176.751 175.328 -0.111 0.000 1.014 526 H CA 1.541 57.460 56.048 -0.216 0.000 1.211 526 H CB 0.127 29.846 29.762 -0.072 0.000 1.365 526 H HN 0.516 nan 8.280 nan 0.000 0.594 527 Y N -1.627 118.603 120.300 -0.116 0.000 2.965 527 Y HA 0.032 4.581 4.550 -0.002 0.000 0.242 527 Y C 2.179 177.994 175.900 -0.141 0.000 1.078 527 Y CA 0.680 58.695 58.100 -0.142 0.000 1.288 527 Y CB 0.252 38.693 38.460 -0.032 0.000 1.459 527 Y HN -0.056 nan 8.280 nan 0.000 0.438 528 T N 0.992 115.454 114.554 -0.154 0.000 2.643 528 T HA -0.132 4.217 4.350 -0.002 0.000 0.264 528 T C 1.073 175.626 174.700 -0.245 0.000 1.045 528 T CA 1.957 63.911 62.100 -0.244 0.000 1.155 528 T CB -0.318 68.507 68.868 -0.072 0.000 0.863 528 T HN 0.333 nan 8.240 nan 0.000 0.420 529 D N 0.542 120.864 120.400 -0.130 0.000 2.347 529 D HA 0.065 4.704 4.640 -0.002 0.000 0.213 529 D C 2.201 178.412 176.300 -0.148 0.000 0.985 529 D CA 0.323 54.275 54.000 -0.079 0.000 0.879 529 D CB -0.154 40.709 40.800 0.104 0.000 0.919 529 D HN 0.265 nan 8.370 nan 0.000 0.526 530 S N 0.065 115.604 115.700 -0.269 0.000 2.368 530 S HA -0.091 4.378 4.470 -0.002 0.000 0.224 530 S C 2.108 176.546 174.600 -0.271 0.000 1.029 530 S CA 0.610 58.626 58.200 -0.307 0.000 0.988 530 S CB -0.040 62.918 63.200 -0.404 0.000 0.838 530 S HN -0.000 nan 8.310 nan 0.000 0.462 531 V N 1.440 121.128 119.914 -0.376 0.000 2.358 531 V HA -0.040 4.079 4.120 -0.002 0.000 0.246 531 V C 2.642 178.568 176.094 -0.280 0.000 1.047 531 V CA 1.776 63.840 62.300 -0.393 0.000 1.035 531 V CB -1.357 29.993 31.823 -0.788 0.000 0.658 531 V HN 0.627 nan 8.190 nan 0.000 0.452 532 G N -0.378 108.271 108.800 -0.252 0.000 2.625 532 G HA2 -0.053 3.906 3.960 -0.002 0.000 0.214 532 G HA3 -0.053 3.906 3.960 -0.002 0.000 0.214 532 G C 1.429 176.273 174.900 -0.093 0.000 1.132 532 G CA 0.816 45.818 45.100 -0.164 0.000 0.782 532 G HN 0.591 nan 8.290 nan 0.000 0.538 533 G N 1.135 109.888 108.800 -0.078 0.000 2.459 533 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.213 533 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.213 533 G C 1.619 176.550 174.900 0.052 0.000 1.155 533 G CA 0.812 45.903 45.100 -0.014 0.000 0.811 533 G HN 0.506 nan 8.290 nan 0.000 0.534 534 I N -1.435 119.182 120.570 0.078 0.000 3.603 534 I HA 0.310 4.479 4.170 -0.002 0.000 0.297 534 I C 1.906 178.107 176.117 0.140 0.000 1.269 534 I CA 0.402 61.841 61.300 0.232 0.000 1.361 534 I CB -0.439 37.766 38.000 0.342 0.000 1.063 534 I HN 0.050 nan 8.210 nan 0.000 0.448 535 L N 0.898 122.104 121.223 -0.030 0.000 2.313 535 L HA 0.072 4.411 4.340 -0.002 0.000 0.214 535 L C 2.729 179.546 176.870 -0.088 0.000 1.119 535 L CA 0.680 55.426 54.840 -0.157 0.000 0.809 535 L CB -0.435 41.515 42.059 -0.181 0.000 0.933 535 L HN 0.189 nan 8.230 nan 0.000 0.449 536 R N -1.104 119.378 120.500 -0.030 0.000 2.235 536 R HA -0.084 4.255 4.340 -0.002 0.000 0.213 536 R C 2.274 178.593 176.300 0.032 0.000 1.059 536 R CA 1.048 57.143 56.100 -0.008 0.000 0.997 536 R CB 0.188 30.487 30.300 -0.002 0.000 0.884 536 R HN 0.189 nan 8.270 nan 0.000 0.462 537 S N -1.961 113.791 115.700 0.087 0.000 2.783 537 S HA 0.064 4.533 4.470 -0.002 0.000 0.205 537 S C 0.802 175.510 174.600 0.179 0.000 0.910 537 S CA 1.154 59.441 58.200 0.145 0.000 0.861 537 S CB 0.344 63.678 63.200 0.222 0.000 0.830 537 S HN 0.378 nan 8.310 nan 0.000 0.630 538 T N 0.387 115.136 114.554 0.325 0.000 12.655 538 T HA -0.252 4.097 4.350 -0.002 0.000 0.417 538 T C 1.425 176.429 174.700 0.506 0.000 1.457 538 T CA 2.064 64.415 62.100 0.418 0.000 2.398 538 T CB -2.179 66.722 68.868 0.055 0.000 2.819 538 T HN 0.697 nan 8.240 nan 0.000 0.750 539 G N 1.390 110.345 108.800 0.258 0.000 2.556 539 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.220 539 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.220 539 G C 1.324 176.292 174.900 0.114 0.000 1.156 539 G CA 1.659 46.857 45.100 0.164 0.000 0.766 539 G HN 0.712 nan 8.290 nan 0.000 0.583 540 R N -0.943 119.566 120.500 0.016 0.000 2.193 540 R HA -0.041 4.298 4.340 -0.002 0.000 0.229 540 R C 1.755 177.881 176.300 -0.289 0.000 1.110 540 R CA 1.101 57.068 56.100 -0.220 0.000 0.988 540 R CB -0.256 29.773 30.300 -0.452 0.000 0.871 540 R HN 0.584 nan 8.270 nan 0.000 0.458 541 Y N -0.718 119.661 120.300 0.132 0.000 2.457 541 Y HA 0.057 4.606 4.550 -0.002 0.000 0.263 541 Y C 1.612 177.555 175.900 0.072 0.000 1.164 541 Y CA -0.334 57.789 58.100 0.038 0.000 1.274 541 Y CB 0.223 38.580 38.460 -0.172 0.000 1.097 541 Y HN -0.017 nan 8.280 nan 0.000 0.523 542 L N -0.961 120.394 121.223 0.221 0.000 2.156 542 L HA -0.057 4.282 4.340 -0.002 0.000 0.208 542 L C 1.946 178.909 176.870 0.155 0.000 1.095 542 L CA 1.337 56.288 54.840 0.186 0.000 0.770 542 L CB -0.187 41.962 42.059 0.151 0.000 0.914 542 L HN 0.171 nan 8.230 nan 0.000 0.439 543 V N -1.725 118.249 119.914 0.099 0.000 3.263 543 V HA 0.031 4.150 4.120 -0.002 0.000 0.248 543 V C 2.048 178.168 176.094 0.043 0.000 1.145 543 V CA 0.633 62.970 62.300 0.061 0.000 1.107 543 V CB 0.617 32.454 31.823 0.023 0.000 0.797 543 V HN 0.395 nan 8.190 nan 0.000 0.467 544 L N -0.455 120.791 121.223 0.037 0.000 2.141 544 L HA -0.099 4.240 4.340 -0.002 0.000 0.209 544 L C 2.211 179.121 176.870 0.068 0.000 1.094 544 L CA 2.313 57.163 54.840 0.016 0.000 0.763 544 L CB -0.629 41.415 42.059 -0.026 0.000 0.908 544 L HN 0.571 nan 8.230 nan 0.000 0.437 545 Y N -0.489 119.813 120.300 0.004 0.000 2.181 545 Y HA -0.224 4.325 4.550 -0.001 0.000 0.288 545 Y C 2.138 178.035 175.900 -0.006 0.000 1.146 545 Y CA 1.773 59.867 58.100 -0.009 0.000 1.164 545 Y CB -0.235 38.224 38.460 -0.001 0.000 0.982 545 Y HN 0.121 nan 8.280 nan 0.000 0.515 546 L N -0.860 120.360 121.223 -0.006 0.000 2.201 546 L HA -0.188 4.151 4.340 -0.002 0.000 0.212 546 L C 2.177 178.989 176.870 -0.097 0.000 1.105 546 L CA 0.788 55.578 54.840 -0.084 0.000 0.775 546 L CB -0.421 41.649 42.059 0.019 0.000 0.913 546 L HN 0.226 nan 8.230 nan 0.000 0.440 547 I N -0.539 119.992 120.570 -0.064 0.000 2.394 547 I HA -0.266 3.903 4.170 -0.002 0.000 0.251 547 I C 2.164 178.231 176.117 -0.083 0.000 1.136 547 I CA 1.191 62.454 61.300 -0.061 0.000 1.425 547 I CB -0.141 37.831 38.000 -0.046 0.000 1.079 547 I HN 0.108 nan 8.210 nan 0.000 0.425 548 I N -0.758 119.737 120.570 -0.125 0.000 2.286 548 I HA -0.154 4.015 4.170 -0.002 0.000 0.245 548 I C 2.524 178.531 176.117 -0.183 0.000 1.104 548 I CA 1.140 62.355 61.300 -0.141 0.000 1.397 548 I CB -0.983 36.929 38.000 -0.146 0.000 1.072 548 I HN 0.015 nan 8.210 nan 0.000 0.417 549 V N 0.214 119.941 119.914 -0.311 0.000 2.270 549 V HA -0.178 3.941 4.120 -0.002 0.000 0.245 549 V C 2.490 178.498 176.094 -0.144 0.000 1.043 549 V CA 1.316 63.436 62.300 -0.300 0.000 1.014 549 V CB -0.373 31.175 31.823 -0.458 0.000 0.645 549 V HN 0.222 nan 8.190 nan 0.000 0.447 550 V N 0.518 120.369 119.914 -0.104 0.000 3.041 550 V HA 0.021 4.140 4.120 -0.002 0.000 0.260 550 V C 2.270 178.374 176.094 0.017 0.000 1.105 550 V CA 1.619 63.900 62.300 -0.032 0.000 1.125 550 V CB -0.073 31.735 31.823 -0.025 0.000 0.730 550 V HN 0.579 nan 8.190 nan 0.000 0.479 551 G N 0.243 109.043 108.800 0.000 0.000 2.403 551 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.216 551 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.216 551 G C 1.519 176.490 174.900 0.119 0.000 1.154 551 G CA 1.029 46.162 45.100 0.055 0.000 0.784 551 G HN 0.614 nan 8.290 nan 0.000 0.538 552 M N 0.202 119.833 119.600 0.052 0.000 2.319 552 M HA 0.393 4.872 4.480 -0.002 0.000 0.265 552 M C 2.412 178.776 176.300 0.106 0.000 1.068 552 M CA 1.445 56.785 55.300 0.067 0.000 1.118 552 M CB -0.052 32.541 32.600 -0.012 0.000 1.395 552 M HN 0.100 nan 8.290 nan 0.000 0.435 553 A N -0.152 122.720 122.820 0.086 0.000 2.121 553 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 553 A C 1.952 179.647 177.584 0.185 0.000 1.154 553 A CA 1.036 53.145 52.037 0.120 0.000 0.679 553 A CB -1.005 18.035 19.000 0.066 0.000 0.795 553 A HN 0.790 nan 8.150 nan 0.000 0.458 554 Y N -0.059 120.281 120.300 0.067 0.000 2.301 554 Y HA 0.147 4.696 4.550 -0.002 0.000 0.295 554 Y C 1.580 177.531 175.900 0.085 0.000 1.119 554 Y CA 1.111 59.248 58.100 0.062 0.000 1.162 554 Y CB -0.146 38.338 38.460 0.040 0.000 1.046 554 Y HN 0.149 nan 8.280 nan 0.000 0.538 555 L N -0.727 120.508 121.223 0.021 0.000 2.465 555 L HA -0.087 4.253 4.340 -0.002 0.000 0.224 555 L C 1.082 177.994 176.870 0.071 0.000 1.145 555 L CA 0.730 55.556 54.840 -0.024 0.000 0.834 555 L CB -0.341 41.792 42.059 0.123 0.000 0.944 555 L HN 0.217 nan 8.230 nan 0.000 0.451 556 F N -1.425 118.490 119.950 -0.059 0.000 2.684 556 F HA 0.244 4.770 4.527 -0.001 0.000 0.298 556 F C 1.027 176.800 175.800 -0.046 0.000 1.120 556 F CA 0.049 58.035 58.000 -0.023 0.000 1.332 556 F CB 0.332 39.322 39.000 -0.018 0.000 0.986 556 F HN -0.247 nan 8.300 nan 0.000 0.524 557 V N -1.025 118.798 119.914 -0.153 0.000 3.165 557 V HA 0.087 4.206 4.120 -0.002 0.000 0.231 557 V C 2.037 178.004 176.094 -0.211 0.000 1.365 557 V CA 0.358 62.550 62.300 -0.180 0.000 1.286 557 V CB 0.273 32.052 31.823 -0.074 0.000 1.081 557 V HN 0.058 nan 8.190 nan 0.000 0.477 558 R N 0.872 121.194 120.500 -0.297 0.000 2.115 558 R HA 0.004 4.343 4.340 -0.002 0.000 0.230 558 R C 0.772 176.959 176.300 -0.188 0.000 1.111 558 R CA 0.891 56.826 56.100 -0.275 0.000 0.976 558 R CB -0.667 29.361 30.300 -0.454 0.000 0.870 558 R HN 0.367 nan 8.270 nan 0.000 0.445 559 L N 3.007 124.121 121.223 -0.181 0.000 2.418 559 L HA 0.258 4.597 4.340 -0.002 0.000 0.274 559 L C -2.040 174.748 176.870 -0.138 0.000 1.135 559 L CA -1.699 53.062 54.840 -0.130 0.000 0.870 559 L CB 0.506 42.517 42.059 -0.080 0.000 1.154 559 L HN 0.140 nan 8.230 nan 0.000 0.462 560 P HA 0.135 nan 4.420 nan 0.000 0.277 560 P C -0.059 177.207 177.300 -0.057 0.000 1.276 560 P CA -0.448 62.607 63.100 -0.074 0.000 0.788 560 P CB 0.938 32.610 31.700 -0.046 0.000 1.114 561 S N -0.133 115.546 115.700 -0.035 0.000 2.320 561 S HA 0.173 4.642 4.470 -0.002 0.000 0.180 561 S C 0.319 174.939 174.600 0.034 0.000 1.145 561 S CA 1.228 59.423 58.200 -0.008 0.000 1.444 561 S CB -0.789 62.410 63.200 -0.001 0.000 0.843 561 S HN 0.915 nan 8.310 nan 0.000 0.406 562 S N -1.827 113.911 115.700 0.063 0.000 2.971 562 S HA -0.131 4.338 4.470 -0.002 0.000 0.856 562 S C -0.249 174.420 174.600 0.115 0.000 0.951 562 S CA 0.412 58.675 58.200 0.105 0.000 1.380 562 S CB -1.620 61.632 63.200 0.086 0.000 0.986 562 S HN 0.496 nan 8.310 nan 0.000 0.235 563 F N 3.334 123.304 119.950 0.034 0.000 2.222 563 F HA 0.606 5.132 4.527 -0.002 0.000 0.285 563 F C 0.895 176.692 175.800 -0.005 0.000 1.068 563 F CA 0.881 58.892 58.000 0.019 0.000 1.265 563 F CB 0.297 39.299 39.000 0.003 0.000 1.087 563 F HN 0.618 nan 8.300 nan 0.000 0.511 564 L N 0.576 121.945 121.223 0.242 0.000 2.526 564 L HA 0.415 4.754 4.340 -0.002 0.000 0.263 564 L C -2.575 174.401 176.870 0.177 0.000 0.943 564 L CA -1.865 53.074 54.840 0.165 0.000 0.859 564 L CB 1.471 43.612 42.059 0.136 0.000 1.313 564 L HN -0.209 nan 8.230 nan 0.000 0.406 565 P HA 0.045 nan 4.420 nan 0.000 0.258 565 P C -1.073 176.309 177.300 0.137 0.000 1.172 565 P CA 0.062 63.261 63.100 0.166 0.000 0.762 565 P CB 0.128 31.933 31.700 0.175 0.000 0.764 566 D N 2.125 122.588 120.400 0.106 0.000 2.441 566 D HA 0.064 4.703 4.640 -0.002 0.000 0.243 566 D C 0.573 176.931 176.300 0.097 0.000 1.257 566 D CA 0.408 54.462 54.000 0.090 0.000 1.027 566 D CB -0.107 40.734 40.800 0.069 0.000 1.084 566 D HN 0.374 nan 8.370 nan 0.000 0.514 567 E N 1.297 121.567 120.200 0.116 0.000 2.349 567 E HA 0.032 4.382 4.350 -0.002 0.000 0.265 567 E C -0.132 176.561 176.600 0.156 0.000 1.064 567 E CA -0.775 55.710 56.400 0.142 0.000 0.886 567 E CB 0.859 30.664 29.700 0.175 0.000 1.036 567 E HN 0.251 nan 8.360 nan 0.000 0.413 568 D N 1.727 122.262 120.400 0.225 0.000 2.424 568 D HA -0.053 4.586 4.640 -0.002 0.000 0.244 568 D C 0.159 176.713 176.300 0.424 0.000 1.134 568 D CA 0.462 54.639 54.000 0.294 0.000 0.881 568 D CB 1.015 42.062 40.800 0.411 0.000 1.191 568 D HN 0.430 nan 8.370 nan 0.000 0.445 569 Q N 2.031 121.985 119.800 0.257 0.000 2.316 569 Q HA 0.152 4.492 4.340 -0.002 0.000 0.235 569 Q C 1.325 177.475 176.000 0.250 0.000 0.863 569 Q CA 0.594 56.478 55.803 0.136 0.000 0.939 569 Q CB 1.304 30.014 28.738 -0.047 0.000 1.108 569 Q HN 0.842 nan 8.270 nan 0.000 0.522 570 G N 0.811 109.584 108.800 -0.044 0.000 2.225 570 G HA2 -0.247 3.713 3.960 -0.002 0.000 0.254 570 G HA3 -0.247 3.713 3.960 -0.002 0.000 0.254 570 G C 0.167 174.979 174.900 -0.148 0.000 0.988 570 G CA 0.393 45.271 45.100 -0.370 0.000 0.625 570 G HN 0.208 nan 8.290 nan 0.000 0.527 571 V N 1.127 121.008 119.914 -0.056 0.000 2.733 571 V HA 0.738 4.857 4.120 -0.002 0.000 0.306 571 V C -0.386 175.661 176.094 -0.079 0.000 1.084 571 V CA -0.354 61.866 62.300 -0.132 0.000 0.905 571 V CB 1.724 33.388 31.823 -0.264 0.000 1.010 571 V HN 0.959 nan 8.190 nan 0.000 0.424 572 F N 3.974 123.780 119.950 -0.239 0.000 2.640 572 F HA 0.955 5.481 4.527 -0.002 0.000 0.324 572 F C -0.638 175.013 175.800 -0.249 0.000 1.077 572 F CA -1.257 56.612 58.000 -0.218 0.000 0.965 572 F CB 2.156 41.076 39.000 -0.132 0.000 1.351 572 F HN 0.523 nan 8.300 nan 0.000 0.487 573 M N 1.360 120.762 119.600 -0.330 0.000 2.572 573 M HA 0.659 5.138 4.480 -0.002 0.000 0.299 573 M C -1.233 174.761 176.300 -0.510 0.000 1.205 573 M CA -0.574 54.466 55.300 -0.434 0.000 0.876 573 M CB 2.137 34.666 32.600 -0.118 0.000 1.728 573 M HN 0.790 nan 8.290 nan 0.000 0.458 574 T N 2.525 116.888 114.554 -0.319 0.000 2.950 574 T HA 0.863 5.212 4.350 -0.002 0.000 0.288 574 T C -0.794 173.908 174.700 0.004 0.000 1.035 574 T CA -0.926 61.114 62.100 -0.099 0.000 1.028 574 T CB 1.290 70.200 68.868 0.070 0.000 1.109 574 T HN 0.857 nan 8.240 nan 0.000 0.514 575 M N 1.877 121.595 119.600 0.197 0.000 2.457 575 M HA 0.817 5.296 4.480 -0.002 0.000 0.300 575 M C -1.899 174.502 176.300 0.168 0.000 1.141 575 M CA -0.992 54.476 55.300 0.280 0.000 0.901 575 M CB 2.181 35.107 32.600 0.543 0.000 1.687 575 M HN 0.240 nan 8.290 nan 0.000 0.449 576 V N 1.932 121.909 119.914 0.105 0.000 2.588 576 V HA 0.621 4.740 4.120 -0.002 0.000 0.304 576 V C -1.023 175.106 176.094 0.058 0.000 1.042 576 V CA -0.336 61.973 62.300 0.015 0.000 0.877 576 V CB 1.786 33.577 31.823 -0.054 0.000 0.996 576 V HN 0.948 nan 8.190 nan 0.000 0.425 577 Q N 3.800 123.616 119.800 0.027 0.000 2.304 577 Q HA 0.677 5.016 4.340 -0.002 0.000 0.270 577 Q C -1.863 174.141 176.000 0.007 0.000 1.035 577 Q CA -0.291 55.540 55.803 0.047 0.000 0.781 577 Q CB 1.879 30.677 28.738 0.100 0.000 1.261 577 Q HN 0.728 nan 8.270 nan 0.000 0.444 578 L N 4.802 126.035 121.223 0.016 0.000 2.332 578 L HA 0.699 5.038 4.340 -0.002 0.000 0.269 578 L C -1.958 174.923 176.870 0.019 0.000 1.016 578 L CA -2.377 52.466 54.840 0.006 0.000 0.809 578 L CB 1.467 43.528 42.059 0.003 0.000 1.280 578 L HN 0.616 nan 8.230 nan 0.000 0.447 579 P HA 0.004 nan 4.420 nan 0.000 0.278 579 P C -0.774 176.548 177.300 0.037 0.000 1.270 579 P CA -0.367 62.747 63.100 0.023 0.000 0.800 579 P CB 0.339 32.046 31.700 0.013 0.000 1.142 580 A N 0.478 123.326 122.820 0.047 0.000 2.522 580 A HA 0.416 4.735 4.320 -0.002 0.000 0.256 580 A C 1.220 178.843 177.584 0.066 0.000 1.086 580 A CA 0.579 52.657 52.037 0.067 0.000 0.763 580 A CB -1.748 17.303 19.000 0.085 0.000 1.024 580 A HN 0.855 nan 8.150 nan 0.000 0.502 581 G N 1.326 110.172 108.800 0.077 0.000 2.272 581 G HA2 0.178 4.137 3.960 -0.002 0.000 0.280 581 G HA3 0.178 4.137 3.960 -0.002 0.000 0.280 581 G C 0.471 175.405 174.900 0.058 0.000 1.067 581 G CA 0.436 45.585 45.100 0.082 0.000 0.902 581 G HN 2.061 nan 8.290 nan 0.000 0.500 582 A N -0.416 122.431 122.820 0.044 0.000 2.296 582 A HA 0.911 5.230 4.320 -0.002 0.000 0.264 582 A C 1.003 178.604 177.584 0.030 0.000 1.097 582 A CA 0.880 52.934 52.037 0.029 0.000 0.811 582 A CB 0.528 19.540 19.000 0.020 0.000 1.072 582 A HN 1.833 nan 8.150 nan 0.000 0.495 583 T N -2.044 112.521 114.554 0.018 0.000 2.938 583 T HA 0.389 4.738 4.350 -0.002 0.000 0.285 583 T C 0.820 175.525 174.700 0.009 0.000 1.028 583 T CA -0.148 61.961 62.100 0.015 0.000 1.005 583 T CB 1.313 70.185 68.868 0.006 0.000 1.157 583 T HN 0.643 nan 8.240 nan 0.000 0.550 584 Q N -0.267 119.538 119.800 0.008 0.000 2.119 584 Q HA -0.131 4.208 4.340 -0.002 0.000 0.201 584 Q C 2.036 178.032 176.000 -0.006 0.000 0.972 584 Q CA 1.504 57.311 55.803 0.007 0.000 0.847 584 Q CB -0.050 28.696 28.738 0.013 0.000 0.903 584 Q HN 0.888 nan 8.270 nan 0.000 0.433 585 E N -0.083 120.109 120.200 -0.014 0.000 2.150 585 E HA -0.171 4.178 4.350 -0.002 0.000 0.193 585 E C 1.962 178.549 176.600 -0.022 0.000 0.985 585 E CA 0.563 56.950 56.400 -0.022 0.000 0.814 585 E CB 0.196 29.878 29.700 -0.029 0.000 0.752 585 E HN 0.247 nan 8.360 nan 0.000 0.466 586 R N -0.284 120.206 120.500 -0.017 0.000 2.092 586 R HA -0.083 4.257 4.340 -0.002 0.000 0.231 586 R C 2.625 178.912 176.300 -0.021 0.000 1.119 586 R CA 1.829 57.918 56.100 -0.018 0.000 0.970 586 R CB -0.254 30.038 30.300 -0.012 0.000 0.864 586 R HN 0.299 nan 8.270 nan 0.000 0.440 587 T N -1.223 113.322 114.554 -0.016 0.000 2.777 587 T HA -0.114 4.235 4.350 -0.002 0.000 0.266 587 T C 1.901 176.582 174.700 -0.031 0.000 1.040 587 T CA 0.580 62.668 62.100 -0.020 0.000 1.141 587 T CB -0.120 68.744 68.868 -0.006 0.000 0.868 587 T HN 0.014 nan 8.240 nan 0.000 0.444 588 Q N 1.218 121.002 119.800 -0.028 0.000 2.135 588 Q HA -0.072 4.267 4.340 -0.002 0.000 0.204 588 Q C 2.301 178.279 176.000 -0.036 0.000 0.981 588 Q CA 1.476 57.259 55.803 -0.033 0.000 0.856 588 Q CB -0.342 28.378 28.738 -0.029 0.000 0.902 588 Q HN 0.661 nan 8.270 nan 0.000 0.425 589 K N -0.065 120.315 120.400 -0.035 0.000 2.097 589 K HA -0.110 4.209 4.320 -0.002 0.000 0.206 589 K C 1.942 178.516 176.600 -0.043 0.000 1.049 589 K CA 1.236 57.501 56.287 -0.037 0.000 0.933 589 K CB 0.220 32.699 32.500 -0.035 0.000 0.717 589 K HN 0.030 nan 8.250 nan 0.000 0.442 590 V N 1.085 120.969 119.914 -0.050 0.000 2.407 590 V HA -0.188 3.931 4.120 -0.002 0.000 0.245 590 V C 2.204 178.246 176.094 -0.085 0.000 1.041 590 V CA 1.098 63.356 62.300 -0.070 0.000 1.040 590 V CB -0.327 31.448 31.823 -0.080 0.000 0.671 590 V HN 0.205 nan 8.190 nan 0.000 0.455 591 L N 0.636 121.815 121.223 -0.074 0.000 2.083 591 L HA -0.120 4.220 4.340 -0.002 0.000 0.209 591 L C 2.318 179.165 176.870 -0.039 0.000 1.083 591 L CA 1.625 56.420 54.840 -0.075 0.000 0.752 591 L CB -0.779 41.236 42.059 -0.074 0.000 0.899 591 L HN 0.326 nan 8.230 nan 0.000 0.433 592 N N -0.502 118.184 118.700 -0.024 0.000 2.309 592 N HA -0.158 4.581 4.740 -0.002 0.000 0.182 592 N C 1.698 177.238 175.510 0.050 0.000 1.018 592 N CA 0.937 53.992 53.050 0.009 0.000 0.876 592 N CB -0.006 38.477 38.487 -0.007 0.000 0.972 592 N HN 0.488 nan 8.380 nan 0.000 0.434 593 E N -0.023 120.187 120.200 0.018 0.000 2.158 593 E HA -0.028 4.321 4.350 -0.002 0.000 0.191 593 E C 1.797 178.488 176.600 0.151 0.000 0.982 593 E CA 0.459 56.890 56.400 0.053 0.000 0.823 593 E CB 0.291 29.994 29.700 0.004 0.000 0.766 593 E HN 0.070 nan 8.360 nan 0.000 0.468 594 V N 0.896 120.835 119.914 0.042 0.000 2.346 594 V HA -0.185 3.934 4.120 -0.002 0.000 0.244 594 V C 2.229 178.505 176.094 0.304 0.000 1.037 594 V CA 1.988 64.308 62.300 0.033 0.000 1.029 594 V CB -0.534 31.119 31.823 -0.283 0.000 0.663 594 V HN 0.297 nan 8.190 nan 0.000 0.454 595 T N -1.096 113.577 114.554 0.199 0.000 2.833 595 T HA -0.241 4.108 4.350 -0.002 0.000 0.269 595 T C 1.792 176.624 174.700 0.220 0.000 1.054 595 T CA 1.943 64.163 62.100 0.200 0.000 1.135 595 T CB -0.381 68.517 68.868 0.049 0.000 0.869 595 T HN 0.666 nan 8.240 nan 0.000 0.466 596 H N 0.093 119.238 119.070 0.125 0.000 2.290 596 H HA -0.136 4.419 4.556 -0.001 0.000 0.298 596 H C 2.057 177.452 175.328 0.111 0.000 1.087 596 H CA 1.888 57.992 56.048 0.093 0.000 1.291 596 H CB -0.502 29.305 29.762 0.076 0.000 1.369 596 H HN 0.406 nan 8.280 nan 0.000 0.492 597 Y N 0.190 120.572 120.300 0.137 0.000 2.040 597 Y HA -0.415 4.134 4.550 -0.001 0.000 0.275 597 Y C 1.926 177.735 175.900 -0.150 0.000 1.171 597 Y CA 2.390 60.466 58.100 -0.041 0.000 1.123 597 Y CB -0.930 37.470 38.460 -0.100 0.000 0.963 597 Y HN 0.344 nan 8.280 nan 0.000 0.493 598 Y N -0.485 119.861 120.300 0.076 0.000 2.242 598 Y HA -0.205 4.345 4.550 -0.001 0.000 0.291 598 Y C 2.354 178.158 175.900 -0.159 0.000 1.137 598 Y CA 1.472 59.537 58.100 -0.059 0.000 1.181 598 Y CB -0.461 38.038 38.460 0.066 0.000 0.989 598 Y HN 0.127 nan 8.280 nan 0.000 0.527 599 L N -1.250 119.968 121.223 -0.010 0.000 2.240 599 L HA -0.105 4.234 4.340 -0.002 0.000 0.211 599 L C 1.950 178.704 176.870 -0.195 0.000 1.106 599 L CA 1.109 55.886 54.840 -0.105 0.000 0.793 599 L CB -0.442 41.550 42.059 -0.111 0.000 0.927 599 L HN 0.222 nan 8.230 nan 0.000 0.446 600 T N -0.630 113.742 114.554 -0.303 0.000 2.914 600 T HA -0.027 4.322 4.350 -0.002 0.000 0.240 600 T C 1.411 175.957 174.700 -0.256 0.000 1.025 600 T CA 0.482 62.383 62.100 -0.333 0.000 1.198 600 T CB 0.025 68.562 68.868 -0.553 0.000 0.892 600 T HN 0.185 nan 8.240 nan 0.000 0.417 601 K N 1.823 122.024 120.400 -0.330 0.000 2.500 601 K HA 0.273 4.592 4.320 -0.002 0.000 0.206 601 K C 0.011 176.389 176.600 -0.369 0.000 1.034 601 K CA 0.218 56.317 56.287 -0.313 0.000 1.179 601 K CB 0.454 32.786 32.500 -0.279 0.000 0.884 601 K HN 0.380 nan 8.250 nan 0.000 0.493 602 E N 1.214 121.220 120.200 -0.323 0.000 3.844 602 E HA 0.141 4.490 4.350 -0.002 0.000 0.260 602 E C -0.189 176.346 176.600 -0.108 0.000 1.163 602 E CA -0.025 56.244 56.400 -0.218 0.000 1.261 602 E CB 0.545 30.083 29.700 -0.270 0.000 1.261 602 E HN 0.105 nan 8.360 nan 0.000 0.399 603 K N -0.166 120.174 120.400 -0.099 0.000 2.021 603 K HA -0.059 4.260 4.320 -0.002 0.000 0.205 603 K C 0.979 177.553 176.600 -0.043 0.000 1.047 603 K CA 1.470 57.716 56.287 -0.067 0.000 0.943 603 K CB -0.142 32.317 32.500 -0.069 0.000 0.725 603 K HN 0.239 nan 8.250 nan 0.000 0.439 604 N N 0.648 119.324 118.700 -0.040 0.000 2.683 604 N HA -0.004 4.735 4.740 -0.002 0.000 0.256 604 N C -0.009 175.490 175.510 -0.018 0.000 1.270 604 N CA 0.315 53.350 53.050 -0.025 0.000 0.954 604 N CB 0.072 38.545 38.487 -0.023 0.000 1.289 604 N HN 0.240 nan 8.380 nan 0.000 0.508 605 N N -1.649 117.043 118.700 -0.014 0.000 2.340 605 N HA 0.060 4.799 4.740 -0.002 0.000 0.287 605 N C -1.164 174.350 175.510 0.006 0.000 0.834 605 N CA -0.208 52.842 53.050 -0.000 0.000 0.906 605 N CB 0.857 39.358 38.487 0.023 0.000 1.857 605 N HN -0.073 nan 8.380 nan 0.000 1.030 606 V N 2.302 122.229 119.914 0.022 0.000 2.461 606 V HA 0.112 4.231 4.120 -0.002 0.000 0.275 606 V C 1.024 177.097 176.094 -0.035 0.000 1.047 606 V CA 0.435 62.740 62.300 0.007 0.000 0.955 606 V CB 1.480 33.334 31.823 0.053 0.000 0.988 606 V HN 0.295 nan 8.190 nan 0.000 0.471 607 E N 3.962 124.131 120.200 -0.051 0.000 2.042 607 E HA 0.009 4.358 4.350 -0.002 0.000 0.189 607 E C 0.717 177.273 176.600 -0.073 0.000 0.974 607 E CA 1.106 57.483 56.400 -0.038 0.000 0.806 607 E CB 0.328 30.022 29.700 -0.010 0.000 0.769 607 E HN 0.861 nan 8.360 nan 0.000 0.451 608 S N -1.580 114.052 115.700 -0.114 0.000 2.565 608 S HA 0.612 5.081 4.470 -0.002 0.000 0.269 608 S C -1.244 173.204 174.600 -0.253 0.000 1.153 608 S CA -0.977 57.078 58.200 -0.243 0.000 0.835 608 S CB 1.880 64.953 63.200 -0.211 0.000 1.122 608 S HN -0.029 nan 8.310 nan 0.000 0.462 609 V N 2.011 121.715 119.914 -0.350 0.000 2.444 609 V HA 0.524 4.643 4.120 -0.002 0.000 0.294 609 V C -1.325 174.682 176.094 -0.145 0.000 1.022 609 V CA -0.470 61.674 62.300 -0.260 0.000 0.850 609 V CB 1.198 32.871 31.823 -0.251 0.000 0.992 609 V HN 0.893 nan 8.190 nan 0.000 0.426 610 F N 4.902 124.758 119.950 -0.157 0.000 2.441 610 F HA 0.679 5.205 4.527 -0.002 0.000 0.337 610 F C 0.848 176.485 175.800 -0.272 0.000 1.182 610 F CA -0.695 57.253 58.000 -0.087 0.000 1.279 610 F CB 0.235 39.286 39.000 0.086 0.000 1.614 610 F HN 0.573 nan 8.300 nan 0.000 0.574 611 A N 3.626 126.210 122.820 -0.394 0.000 2.451 611 A HA 0.559 4.878 4.320 -0.002 0.000 0.266 611 A C -0.718 176.589 177.584 -0.462 0.000 1.119 611 A CA -0.266 51.549 52.037 -0.371 0.000 0.786 611 A CB 0.098 18.955 19.000 -0.239 0.000 1.061 611 A HN 0.367 nan 8.150 nan 0.000 0.503 612 V N 4.747 124.429 119.914 -0.386 0.000 2.407 612 V HA 0.258 4.377 4.120 -0.002 0.000 0.291 612 V C 0.021 176.061 176.094 -0.091 0.000 1.018 612 V CA -1.054 61.082 62.300 -0.273 0.000 0.842 612 V CB 1.467 33.131 31.823 -0.264 0.000 0.996 612 V HN 0.940 nan 8.190 nan 0.000 0.426 613 N N 2.979 121.652 118.700 -0.046 0.000 2.499 613 N HA 0.448 5.187 4.740 -0.002 0.000 0.281 613 N C 1.094 176.650 175.510 0.077 0.000 1.098 613 N CA 1.323 54.378 53.050 0.008 0.000 0.979 613 N CB 1.830 40.311 38.487 -0.010 0.000 1.121 613 N HN 1.001 nan 8.380 nan 0.000 0.466 614 G N 2.658 111.508 108.800 0.083 0.000 2.284 614 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.230 614 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.230 614 G C 0.003 174.971 174.900 0.113 0.000 1.021 614 G CA -0.081 45.074 45.100 0.091 0.000 0.619 614 G HN 0.550 nan 8.290 nan 0.000 0.510 615 F N 2.881 122.851 119.950 0.033 0.000 2.424 615 F HA 0.604 5.130 4.527 -0.002 0.000 0.356 615 F C 0.672 176.480 175.800 0.013 0.000 1.110 615 F CA 0.217 58.237 58.000 0.034 0.000 1.161 615 F CB 1.372 40.431 39.000 0.098 0.000 1.115 615 F HN 0.390 nan 8.300 nan 0.000 0.507 616 G N 5.325 114.107 108.800 -0.031 0.000 2.638 616 G HA2 0.465 4.424 3.960 -0.002 0.000 0.302 616 G HA3 0.465 4.424 3.960 -0.002 0.000 0.302 616 G C -1.780 173.139 174.900 0.032 0.000 1.365 616 G CA -0.611 44.558 45.100 0.115 0.000 0.987 616 G HN 0.400 nan 8.290 nan 0.000 0.495 617 F N 1.321 121.446 119.950 0.292 0.000 2.484 617 F HA 0.416 4.942 4.527 -0.002 0.000 0.360 617 F C 1.321 177.206 175.800 0.142 0.000 1.101 617 F CA 1.407 59.564 58.000 0.261 0.000 1.251 617 F CB 1.835 41.043 39.000 0.346 0.000 1.132 617 F HN 1.020 nan 8.300 nan 0.000 0.570 618 A N 1.849 124.876 122.820 0.346 0.000 3.688 618 A HA 0.167 4.486 4.320 -0.002 0.000 0.233 618 A C 0.613 178.252 177.584 0.092 0.000 0.905 618 A CA 0.458 52.606 52.037 0.185 0.000 1.744 618 A CB -2.062 17.027 19.000 0.149 0.000 0.863 618 A HN 2.079 nan 8.150 nan 0.000 0.743 619 G N -1.156 107.660 108.800 0.027 0.000 2.308 619 G HA2 0.611 4.570 3.960 -0.002 0.000 0.288 619 G HA3 0.611 4.570 3.960 -0.002 0.000 0.288 619 G C -0.644 174.183 174.900 -0.122 0.000 1.722 619 G CA 0.370 45.437 45.100 -0.054 0.000 0.924 619 G HN 1.549 nan 8.290 nan 0.000 0.732 620 R N 0.302 120.675 120.500 -0.212 0.000 2.726 620 R HA 0.820 5.159 4.340 -0.002 0.000 0.272 620 R C 0.597 176.849 176.300 -0.080 0.000 1.097 620 R CA 0.080 56.048 56.100 -0.218 0.000 1.198 620 R CB 0.914 31.047 30.300 -0.277 0.000 1.114 620 R HN 2.040 nan 8.270 nan 0.000 0.550 621 G N -0.634 108.141 108.800 -0.042 0.000 2.358 621 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.301 621 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.301 621 G C -1.416 173.497 174.900 0.023 0.000 1.539 621 G CA -0.917 44.185 45.100 0.003 0.000 0.893 621 G HN 0.583 nan 8.290 nan 0.000 0.636 622 Q N 0.198 120.018 119.800 0.034 0.000 3.141 622 Q HA 0.191 4.530 4.340 -0.002 0.000 0.304 622 Q C 0.655 176.677 176.000 0.036 0.000 1.305 622 Q CA 0.307 56.133 55.803 0.038 0.000 0.929 622 Q CB -0.272 28.491 28.738 0.043 0.000 1.701 622 Q HN 0.463 nan 8.270 nan 0.000 0.483 623 N N -1.097 117.624 118.700 0.035 0.000 1.895 623 N HA -0.014 4.725 4.740 -0.002 0.000 0.243 623 N C -1.012 174.521 175.510 0.038 0.000 1.350 623 N CA 0.752 53.824 53.050 0.036 0.000 0.789 623 N CB 0.978 39.491 38.487 0.043 0.000 1.195 623 N HN 0.317 nan 8.380 nan 0.000 0.489 624 T N -1.456 113.124 114.554 0.044 0.000 2.908 624 T HA 0.867 5.216 4.350 -0.002 0.000 0.290 624 T C 0.125 174.865 174.700 0.067 0.000 1.034 624 T CA -0.719 61.419 62.100 0.063 0.000 1.010 624 T CB 2.295 71.209 68.868 0.077 0.000 1.068 624 T HN 0.126 nan 8.240 nan 0.000 0.481 625 G N 1.248 110.091 108.800 0.071 0.000 2.746 625 G HA2 0.666 4.625 3.960 -0.002 0.000 0.297 625 G HA3 0.666 4.625 3.960 -0.002 0.000 0.297 625 G C -1.143 173.783 174.900 0.043 0.000 1.426 625 G CA -1.123 44.007 45.100 0.049 0.000 0.989 625 G HN 1.204 nan 8.290 nan 0.000 0.520 626 I N -1.118 119.449 120.570 -0.006 0.000 2.934 626 I HA 0.962 5.131 4.170 -0.002 0.000 0.306 626 I C -0.291 175.624 176.117 -0.336 0.000 1.110 626 I CA -1.535 59.705 61.300 -0.100 0.000 1.019 626 I CB 2.677 40.678 38.000 0.002 0.000 1.227 626 I HN 0.770 nan 8.210 nan 0.000 0.434 627 A N 3.482 126.062 122.820 -0.400 0.000 2.381 627 A HA 0.782 5.101 4.320 -0.002 0.000 0.299 627 A C -1.483 175.798 177.584 -0.505 0.000 1.049 627 A CA -0.342 51.413 52.037 -0.470 0.000 0.715 627 A CB 0.804 19.624 19.000 -0.300 0.000 1.222 627 A HN 0.526 nan 8.150 nan 0.000 0.428 628 F N 2.063 121.919 119.950 -0.158 0.000 2.421 628 F HA 0.436 4.962 4.527 -0.001 0.000 0.358 628 F C 0.317 175.897 175.800 -0.367 0.000 1.115 628 F CA -0.703 57.149 58.000 -0.247 0.000 1.160 628 F CB 1.389 40.337 39.000 -0.087 0.000 1.123 628 F HN 0.216 nan 8.300 nan 0.000 0.508 629 V N 3.130 122.764 119.914 -0.466 0.000 2.350 629 V HA 0.298 4.417 4.120 -0.002 0.000 0.276 629 V C 0.199 176.041 176.094 -0.420 0.000 1.028 629 V CA -0.555 61.363 62.300 -0.636 0.000 0.860 629 V CB 1.268 32.324 31.823 -1.279 0.000 0.990 629 V HN 0.799 nan 8.190 nan 0.000 0.453 630 S N 5.493 121.060 115.700 -0.222 0.000 2.585 630 S HA 0.760 5.229 4.470 -0.002 0.000 0.277 630 S C -0.590 173.945 174.600 -0.109 0.000 1.241 630 S CA -0.473 57.657 58.200 -0.116 0.000 1.041 630 S CB 0.609 63.807 63.200 -0.004 0.000 0.987 630 S HN 0.528 nan 8.310 nan 0.000 0.512 631 L N 3.511 124.674 121.223 -0.101 0.000 2.342 631 L HA 0.554 4.893 4.340 -0.002 0.000 0.271 631 L C 0.243 177.037 176.870 -0.127 0.000 1.008 631 L CA -0.934 53.841 54.840 -0.108 0.000 0.818 631 L CB 1.322 43.294 42.059 -0.145 0.000 1.296 631 L HN 0.461 nan 8.230 nan 0.000 0.427 632 K N 3.122 123.465 120.400 -0.094 0.000 2.278 632 K HA 0.081 4.400 4.320 -0.002 0.000 0.289 632 K C -0.405 176.140 176.600 -0.091 0.000 1.080 632 K CA 0.428 56.677 56.287 -0.064 0.000 0.934 632 K CB -0.172 32.309 32.500 -0.031 0.000 1.093 632 K HN 0.634 nan 8.250 nan 0.000 0.459 633 D N 1.618 121.965 120.400 -0.087 0.000 3.364 633 D HA -0.284 4.355 4.640 -0.002 0.000 0.237 633 D C 0.611 176.785 176.300 -0.210 0.000 1.750 633 D CA 1.750 55.729 54.000 -0.035 0.000 1.121 633 D CB -0.412 40.430 40.800 0.071 0.000 0.767 633 D HN 0.639 nan 8.370 nan 0.000 0.926 634 W N -0.849 120.485 121.300 0.056 0.000 3.728 634 W HA 0.485 5.145 4.660 -0.002 0.000 0.210 634 W C 2.101 178.647 176.519 0.046 0.000 1.105 634 W CA 0.816 58.196 57.345 0.059 0.000 1.561 634 W CB -0.718 28.781 29.460 0.066 0.000 0.718 634 W HN 0.436 nan 8.180 nan 0.000 0.847 635 A N 0.265 123.243 122.820 0.264 0.000 2.067 635 A HA -0.092 4.227 4.320 -0.002 0.000 0.217 635 A C 1.237 178.882 177.584 0.102 0.000 1.156 635 A CA 1.908 54.040 52.037 0.158 0.000 0.683 635 A CB -0.512 18.564 19.000 0.127 0.000 0.808 635 A HN 0.114 nan 8.150 nan 0.000 0.455 636 D N -0.089 120.361 120.400 0.083 0.000 2.312 636 D HA -0.043 4.596 4.640 -0.002 0.000 0.211 636 D C 1.038 177.357 176.300 0.032 0.000 0.964 636 D CA 0.693 54.720 54.000 0.045 0.000 0.877 636 D CB 0.046 40.863 40.800 0.029 0.000 0.924 636 D HN 0.556 nan 8.370 nan 0.000 0.515 637 R N 0.437 120.960 120.500 0.039 0.000 2.396 637 R HA 0.293 4.633 4.340 -0.002 0.000 0.292 637 R C -2.478 173.858 176.300 0.060 0.000 1.240 637 R CA -1.406 54.713 56.100 0.031 0.000 1.270 637 R CB 1.039 31.339 30.300 -0.001 0.000 1.108 637 R HN -0.120 nan 8.270 nan 0.000 0.573 638 P HA -0.002 nan 4.420 nan 0.000 0.215 638 P C 0.877 178.211 177.300 0.057 0.000 1.157 638 P CA 0.948 64.085 63.100 0.062 0.000 0.856 638 P CB 0.075 31.803 31.700 0.046 0.000 0.786 639 G N 0.097 108.921 108.800 0.041 0.000 2.667 639 G HA2 -0.046 3.913 3.960 -0.002 0.000 0.250 639 G HA3 -0.046 3.913 3.960 -0.002 0.000 0.250 639 G C 0.812 175.735 174.900 0.039 0.000 1.212 639 G CA -0.254 44.867 45.100 0.035 0.000 0.874 639 G HN 0.067 nan 8.290 nan 0.000 0.561 640 E N -0.074 120.146 120.200 0.033 0.000 2.268 640 E HA -0.136 4.213 4.350 -0.002 0.000 0.195 640 E C 2.175 178.786 176.600 0.020 0.000 0.995 640 E CA 1.228 57.647 56.400 0.032 0.000 0.836 640 E CB 0.091 29.807 29.700 0.027 0.000 0.763 640 E HN 0.818 nan 8.360 nan 0.000 0.491 641 E N -0.672 119.536 120.200 0.013 0.000 2.435 641 E HA -0.059 4.291 4.350 -0.002 0.000 0.195 641 E C 1.164 177.765 176.600 0.001 0.000 1.029 641 E CA 0.285 56.687 56.400 0.003 0.000 0.865 641 E CB -0.016 29.684 29.700 0.001 0.000 0.833 641 E HN 0.044 nan 8.360 nan 0.000 0.510 642 N N 1.160 119.865 118.700 0.009 0.000 2.299 642 N HA 0.028 4.767 4.740 -0.002 0.000 0.187 642 N C -0.415 175.095 175.510 0.000 0.000 1.099 642 N CA 0.439 53.493 53.050 0.007 0.000 0.867 642 N CB 0.481 38.976 38.487 0.014 0.000 0.974 642 N HN 0.204 nan 8.380 nan 0.000 0.477 643 K N -1.151 119.253 120.400 0.006 0.000 2.208 643 K HA 0.447 4.766 4.320 -0.002 0.000 0.247 643 K C 1.284 177.860 176.600 -0.040 0.000 0.953 643 K CA -0.789 55.496 56.287 -0.003 0.000 0.837 643 K CB 1.050 33.590 32.500 0.068 0.000 1.131 643 K HN -0.376 nan 8.250 nan 0.000 0.431 644 V N 0.803 120.667 119.914 -0.084 0.000 2.285 644 V HA -0.421 3.698 4.120 -0.002 0.000 0.259 644 V C 2.206 178.195 176.094 -0.174 0.000 1.088 644 V CA 2.532 64.712 62.300 -0.201 0.000 1.098 644 V CB -0.627 31.102 31.823 -0.157 0.000 0.738 644 V HN 0.965 nan 8.190 nan 0.000 0.461 645 E N -0.457 119.700 120.200 -0.072 0.000 2.196 645 E HA -0.379 3.971 4.350 -0.002 0.000 0.222 645 E C 2.099 178.664 176.600 -0.057 0.000 1.072 645 E CA 2.639 59.013 56.400 -0.043 0.000 0.902 645 E CB -0.366 29.333 29.700 -0.002 0.000 0.780 645 E HN 0.711 nan 8.360 nan 0.000 0.467 646 A N -0.452 122.336 122.820 -0.053 0.000 2.115 646 A HA 0.106 4.425 4.320 -0.002 0.000 0.211 646 A C 2.202 179.750 177.584 -0.060 0.000 1.169 646 A CA 0.133 52.144 52.037 -0.044 0.000 0.787 646 A CB -0.108 18.879 19.000 -0.022 0.000 0.858 646 A HN 0.175 nan 8.150 nan 0.000 0.474 647 I N 0.816 121.329 120.570 -0.094 0.000 2.179 647 I HA -0.240 3.929 4.170 -0.002 0.000 0.242 647 I C 2.842 178.878 176.117 -0.135 0.000 1.088 647 I CA 1.916 63.164 61.300 -0.086 0.000 1.357 647 I CB -0.799 37.137 38.000 -0.107 0.000 1.051 647 I HN 0.466 nan 8.210 nan 0.000 0.409 648 T N -0.481 113.894 114.554 -0.299 0.000 2.708 648 T HA -0.251 4.098 4.350 -0.002 0.000 0.266 648 T C 1.819 176.478 174.700 -0.068 0.000 1.037 648 T CA 1.396 63.364 62.100 -0.220 0.000 1.146 648 T CB -0.514 68.207 68.868 -0.245 0.000 0.865 648 T HN 0.165 nan 8.240 nan 0.000 0.435 649 M N 1.124 120.686 119.600 -0.064 0.000 2.149 649 M HA 0.041 4.520 4.480 -0.002 0.000 0.261 649 M C 2.320 178.591 176.300 -0.049 0.000 1.064 649 M CA 1.511 56.791 55.300 -0.034 0.000 1.102 649 M CB -0.454 32.129 32.600 -0.028 0.000 1.369 649 M HN 0.121 nan 8.290 nan 0.000 0.408 650 R N -0.419 120.046 120.500 -0.058 0.000 2.057 650 R HA 0.096 4.436 4.340 -0.002 0.000 0.229 650 R C 2.177 178.354 176.300 -0.205 0.000 1.136 650 R CA 1.783 57.841 56.100 -0.070 0.000 0.952 650 R CB -0.883 29.419 30.300 0.003 0.000 0.848 650 R HN 0.495 nan 8.270 nan 0.000 0.430 651 A N -0.151 122.519 122.820 -0.249 0.000 1.883 651 A HA -0.227 4.092 4.320 -0.002 0.000 0.217 651 A C 2.200 179.474 177.584 -0.517 0.000 1.186 651 A CA 2.443 54.080 52.037 -0.667 0.000 0.624 651 A CB -1.455 17.436 19.000 -0.181 0.000 0.822 651 A HN 0.615 nan 8.150 nan 0.000 0.444 652 T N -1.675 112.825 114.554 -0.090 0.000 2.665 652 T HA -0.260 4.089 4.350 -0.002 0.000 0.268 652 T C 2.013 176.695 174.700 -0.030 0.000 1.035 652 T CA 1.615 63.751 62.100 0.060 0.000 1.151 652 T CB -0.392 68.546 68.868 0.116 0.000 0.862 652 T HN 0.518 nan 8.240 nan 0.000 0.438 653 R N 1.338 121.782 120.500 -0.093 0.000 2.075 653 R HA 0.101 4.440 4.340 -0.002 0.000 0.232 653 R C 2.777 178.984 176.300 -0.155 0.000 1.126 653 R CA 1.261 57.307 56.100 -0.090 0.000 0.963 653 R CB -0.695 29.562 30.300 -0.072 0.000 0.858 653 R HN 0.510 nan 8.270 nan 0.000 0.435 654 A N 0.105 122.730 122.820 -0.325 0.000 1.930 654 A HA -0.104 4.215 4.320 -0.002 0.000 0.217 654 A C 1.793 179.163 177.584 -0.358 0.000 1.175 654 A CA 1.026 52.811 52.037 -0.421 0.000 0.627 654 A CB -0.492 18.069 19.000 -0.732 0.000 0.815 654 A HN 0.327 nan 8.150 nan 0.000 0.443 655 F N -0.222 119.576 119.950 -0.253 0.000 2.206 655 F HA 0.005 4.531 4.527 -0.002 0.000 0.298 655 F C 2.808 178.525 175.800 -0.138 0.000 1.090 655 F CA 1.062 58.943 58.000 -0.198 0.000 1.323 655 F CB -0.831 38.058 39.000 -0.186 0.000 1.028 655 F HN 0.241 nan 8.300 nan 0.000 0.492 656 S N -0.705 115.025 115.700 0.050 0.000 2.496 656 S HA -0.129 4.340 4.470 -0.002 0.000 0.224 656 S C 2.031 176.623 174.600 -0.013 0.000 0.996 656 S CA 0.691 58.892 58.200 0.001 0.000 0.927 656 S CB -0.241 62.962 63.200 0.004 0.000 0.774 656 S HN 0.380 nan 8.310 nan 0.000 0.524 657 Q N 1.924 121.709 119.800 -0.026 0.000 2.014 657 Q HA -0.065 4.274 4.340 -0.002 0.000 0.207 657 Q C 0.437 176.427 176.000 -0.017 0.000 0.993 657 Q CA 1.990 57.776 55.803 -0.028 0.000 0.850 657 Q CB -0.236 28.476 28.738 -0.044 0.000 0.916 657 Q HN 0.754 nan 8.270 nan 0.000 0.417 658 I N -2.114 118.450 120.570 -0.011 0.000 2.529 658 I HA 0.677 4.846 4.170 -0.002 0.000 0.284 658 I C -1.209 174.906 176.117 -0.004 0.000 1.088 658 I CA -1.222 60.073 61.300 -0.009 0.000 1.062 658 I CB 2.088 40.083 38.000 -0.008 0.000 1.218 658 I HN -0.147 nan 8.210 nan 0.000 0.442 659 K N 4.151 124.542 120.400 -0.015 0.000 2.561 659 K HA 0.300 4.620 4.320 -0.002 0.000 0.254 659 K C -0.139 176.441 176.600 -0.033 0.000 0.942 659 K CA -0.374 55.899 56.287 -0.025 0.000 0.818 659 K CB 1.669 34.149 32.500 -0.035 0.000 1.306 659 K HN 0.699 nan 8.250 nan 0.000 0.435 660 D N 1.563 121.943 120.400 -0.033 0.000 2.277 660 D HA 0.059 4.698 4.640 -0.002 0.000 0.208 660 D C 0.648 176.925 176.300 -0.038 0.000 0.962 660 D CA 0.787 54.768 54.000 -0.032 0.000 0.865 660 D CB 0.162 40.945 40.800 -0.028 0.000 0.939 660 D HN 0.379 nan 8.370 nan 0.000 0.510 661 A N -0.240 122.550 122.820 -0.051 0.000 3.944 661 A HA 0.756 5.076 4.320 -0.002 0.000 0.151 661 A C -0.353 177.175 177.584 -0.093 0.000 1.301 661 A CA -0.616 51.384 52.037 -0.060 0.000 1.020 661 A CB 0.804 19.768 19.000 -0.060 0.000 1.627 661 A HN 0.161 nan 8.150 nan 0.000 0.661 662 M N 0.402 119.925 119.600 -0.127 0.000 2.224 662 M HA 0.547 5.026 4.480 -0.002 0.000 0.281 662 M C -2.244 173.879 176.300 -0.294 0.000 1.025 662 M CA -0.297 54.864 55.300 -0.232 0.000 0.954 662 M CB 1.826 34.290 32.600 -0.227 0.000 1.639 662 M HN 0.378 nan 8.290 nan 0.000 0.461 663 V N 5.248 124.939 119.914 -0.371 0.000 2.709 663 V HA 0.507 4.626 4.120 -0.002 0.000 0.308 663 V C -0.841 175.069 176.094 -0.306 0.000 1.062 663 V CA -0.338 61.779 62.300 -0.304 0.000 0.901 663 V CB 2.090 33.710 31.823 -0.338 0.000 1.003 663 V HN 0.927 nan 8.190 nan 0.000 0.425 664 F N 1.908 121.944 119.950 0.143 0.000 2.478 664 F HA 0.753 5.279 4.527 -0.002 0.000 0.260 664 F C 1.148 177.142 175.800 0.322 0.000 0.974 664 F CA 0.715 58.856 58.000 0.234 0.000 1.075 664 F CB -0.317 38.845 39.000 0.269 0.000 1.165 664 F HN 0.711 nan 8.300 nan 0.000 0.692 665 A N 0.441 123.609 122.820 0.579 0.000 2.435 665 A HA 0.185 4.504 4.320 -0.002 0.000 0.686 665 A C -0.717 177.144 177.584 0.462 0.000 0.138 665 A CA 0.127 52.432 52.037 0.447 0.000 0.026 665 A CB -2.159 17.191 19.000 0.584 0.000 3.973 665 A HN 0.886 nan 8.150 nan 0.000 0.548 666 F N -0.173 119.979 119.950 0.336 0.000 2.789 666 F HA 0.889 5.415 4.527 -0.002 0.000 0.319 666 F C -0.514 175.410 175.800 0.208 0.000 1.168 666 F CA -0.941 57.173 58.000 0.191 0.000 0.934 666 F CB 0.765 39.830 39.000 0.108 0.000 1.375 666 F HN 0.735 nan 8.300 nan 0.000 0.480 667 N N 0.133 119.050 118.700 0.362 0.000 2.430 667 N HA 0.532 5.271 4.740 -0.002 0.000 0.298 667 N C -1.451 174.233 175.510 0.289 0.000 1.130 667 N CA -0.543 52.644 53.050 0.229 0.000 0.894 667 N CB 1.371 39.920 38.487 0.104 0.000 1.209 667 N HN 0.708 nan 8.380 nan 0.000 0.503 668 L N 3.509 124.845 121.223 0.188 0.000 2.455 668 L HA 0.258 4.597 4.340 -0.002 0.000 0.272 668 L C -1.367 175.563 176.870 0.100 0.000 1.174 668 L CA -0.908 54.021 54.840 0.149 0.000 0.869 668 L CB 0.463 42.576 42.059 0.089 0.000 1.130 668 L HN 0.636 nan 8.230 nan 0.000 0.474 669 P HA 0.039 nan 4.420 nan 0.000 0.247 669 P C 0.583 177.892 177.300 0.016 0.000 1.225 669 P CA 0.639 63.755 63.100 0.026 0.000 0.768 669 P CB 0.267 31.955 31.700 -0.021 0.000 1.020 670 A N -1.421 121.420 122.820 0.035 0.000 2.860 670 A HA -0.180 4.139 4.320 -0.002 0.000 0.267 670 A C 0.483 178.031 177.584 -0.059 0.000 1.421 670 A CA 1.574 53.651 52.037 0.067 0.000 0.831 670 A CB -2.722 16.347 19.000 0.115 0.000 1.041 670 A HN 0.406 nan 8.150 nan 0.000 0.623 671 I N -6.837 113.651 120.570 -0.136 0.000 3.439 671 I HA 0.633 4.803 4.170 -0.002 0.000 0.319 671 I C 1.354 177.382 176.117 -0.149 0.000 1.294 671 I CA -0.227 60.880 61.300 -0.322 0.000 1.028 671 I CB 0.082 37.885 38.000 -0.329 0.000 1.243 671 I HN 0.483 nan 8.210 nan 0.000 0.436 672 V N -1.021 118.807 119.914 -0.144 0.000 2.326 672 V HA 0.370 4.489 4.120 -0.002 0.000 0.237 672 V C 1.094 177.146 176.094 -0.070 0.000 1.044 672 V CA 1.888 64.144 62.300 -0.074 0.000 1.035 672 V CB -1.165 30.627 31.823 -0.052 0.000 0.675 672 V HN 1.065 nan 8.190 nan 0.000 0.470 673 E N 0.849 121.002 120.200 -0.079 0.000 3.222 673 E HA 0.132 4.481 4.350 -0.002 0.000 0.263 673 E C -0.218 176.320 176.600 -0.103 0.000 1.153 673 E CA -0.295 56.056 56.400 -0.081 0.000 1.762 673 E CB -0.394 29.276 29.700 -0.051 0.000 2.444 673 E HN 0.271 nan 8.360 nan 0.000 0.980 674 L N 2.043 123.226 121.223 -0.065 0.000 4.145 674 L HA 0.006 4.345 4.340 -0.002 0.000 0.495 674 L C 0.515 177.273 176.870 -0.187 0.000 0.860 674 L CA 1.812 56.610 54.840 -0.070 0.000 0.689 674 L CB -2.809 39.243 42.059 -0.011 0.000 1.054 674 L HN 0.879 nan 8.230 nan 0.000 0.935 675 G N 2.399 111.095 108.800 -0.173 0.000 3.391 675 G HA2 -0.096 3.863 3.960 -0.002 0.000 0.675 675 G HA3 -0.096 3.863 3.960 -0.002 0.000 0.675 675 G C 0.697 175.405 174.900 -0.320 0.000 0.899 675 G CA 0.473 45.414 45.100 -0.264 0.000 0.755 675 G HN 1.428 nan 8.290 nan 0.000 0.475 676 T N 0.106 114.544 114.554 -0.194 0.000 2.668 676 T HA 0.436 4.785 4.350 -0.002 0.000 0.258 676 T C 1.934 176.574 174.700 -0.100 0.000 1.051 676 T CA 2.942 64.959 62.100 -0.139 0.000 1.155 676 T CB 0.037 68.849 68.868 -0.094 0.000 0.864 676 T HN 2.353 nan 8.240 nan 0.000 0.413 677 A N 0.150 122.948 122.820 -0.037 0.000 1.889 677 A HA 0.275 4.594 4.320 -0.002 0.000 0.204 677 A C 1.972 179.608 177.584 0.087 0.000 1.739 677 A CA 0.864 52.962 52.037 0.103 0.000 1.589 677 A CB -0.594 18.478 19.000 0.119 0.000 1.485 677 A HN 0.648 nan 8.150 nan 0.000 0.472 678 T N -2.315 112.258 114.554 0.032 0.000 2.964 678 T HA 0.454 4.803 4.350 -0.002 0.000 0.250 678 T C 1.266 175.981 174.700 0.026 0.000 0.982 678 T CA 1.167 63.281 62.100 0.024 0.000 0.959 678 T CB -0.328 68.552 68.868 0.020 0.000 1.141 678 T HN 1.168 nan 8.240 nan 0.000 0.494 679 G N 1.870 110.670 108.800 0.000 0.000 2.716 679 G HA2 0.459 4.418 3.960 -0.002 0.000 0.251 679 G HA3 0.459 4.418 3.960 -0.002 0.000 0.251 679 G C -0.493 174.449 174.900 0.070 0.000 1.224 679 G CA -0.334 44.757 45.100 -0.015 0.000 0.891 679 G HN 0.624 nan 8.290 nan 0.000 0.561 680 F N -1.939 118.012 119.950 0.001 0.000 2.650 680 F HA 0.721 5.247 4.527 -0.002 0.000 0.320 680 F C -1.390 174.485 175.800 0.126 0.000 1.091 680 F CA -2.000 56.041 58.000 0.069 0.000 0.962 680 F CB 2.272 41.354 39.000 0.135 0.000 1.363 680 F HN 0.404 nan 8.300 nan 0.000 0.482 681 D N 1.800 122.559 120.400 0.597 0.000 2.346 681 D HA 0.275 4.914 4.640 -0.002 0.000 0.255 681 D C -1.681 174.938 176.300 0.531 0.000 1.276 681 D CA -0.071 54.164 54.000 0.392 0.000 0.941 681 D CB 0.566 41.459 40.800 0.156 0.000 1.199 681 D HN 0.536 nan 8.370 nan 0.000 0.537 682 F N 2.135 122.305 119.950 0.366 0.000 2.370 682 F HA 0.576 5.102 4.527 -0.001 0.000 0.324 682 F C -0.069 175.577 175.800 -0.257 0.000 1.116 682 F CA -0.421 57.466 58.000 -0.189 0.000 1.123 682 F CB 1.247 40.117 39.000 -0.218 0.000 1.238 682 F HN 0.239 nan 8.300 nan 0.000 0.536 683 E N 4.043 123.445 120.200 -1.330 0.000 2.278 683 E HA 0.419 4.769 4.350 -0.002 0.000 0.272 683 E C -2.167 173.811 176.600 -1.037 0.000 0.890 683 E CA -0.811 55.035 56.400 -0.923 0.000 0.770 683 E CB 1.627 30.820 29.700 -0.845 0.000 1.212 683 E HN 0.642 nan 8.360 nan 0.000 0.415 684 L N 5.726 126.665 121.223 -0.474 0.000 2.307 684 L HA 0.587 4.926 4.340 -0.002 0.000 0.284 684 L C -1.213 175.573 176.870 -0.141 0.000 1.023 684 L CA -0.275 54.436 54.840 -0.216 0.000 0.810 684 L CB 1.146 43.235 42.059 0.051 0.000 1.231 684 L HN 0.557 nan 8.230 nan 0.000 0.423 685 I N 2.823 123.328 120.570 -0.109 0.000 2.530 685 I HA 0.281 4.450 4.170 -0.002 0.000 0.297 685 I C -0.642 175.466 176.117 -0.015 0.000 1.011 685 I CA -0.858 60.409 61.300 -0.055 0.000 1.107 685 I CB 1.842 39.811 38.000 -0.052 0.000 1.285 685 I HN 0.501 nan 8.210 nan 0.000 0.436 686 D N 4.755 125.159 120.400 0.007 0.000 2.359 686 D HA 0.063 4.702 4.640 -0.002 0.000 0.250 686 D C 0.652 176.956 176.300 0.007 0.000 1.264 686 D CA 0.173 54.182 54.000 0.016 0.000 0.911 686 D CB 0.871 41.690 40.800 0.031 0.000 1.056 686 D HN 0.363 nan 8.370 nan 0.000 0.499 687 Q N 2.815 122.615 119.800 -0.000 0.000 2.178 687 Q HA 0.086 4.425 4.340 -0.002 0.000 0.195 687 Q C 1.615 177.614 176.000 -0.003 0.000 0.960 687 Q CA 0.900 56.698 55.803 -0.008 0.000 0.843 687 Q CB -0.233 28.493 28.738 -0.019 0.000 0.927 687 Q HN 0.605 nan 8.270 nan 0.000 0.487 688 A N 0.108 122.929 122.820 0.002 0.000 2.206 688 A HA 0.309 4.628 4.320 -0.002 0.000 0.211 688 A C 1.165 178.753 177.584 0.007 0.000 1.158 688 A CA 0.977 53.016 52.037 0.004 0.000 0.761 688 A CB -0.280 18.723 19.000 0.005 0.000 0.801 688 A HN 0.440 nan 8.150 nan 0.000 0.473 689 G N -0.637 108.169 108.800 0.011 0.000 2.255 689 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.239 689 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.239 689 G C -0.146 174.766 174.900 0.020 0.000 1.083 689 G CA 0.022 45.131 45.100 0.015 0.000 0.826 689 G HN 0.223 nan 8.290 nan 0.000 0.493 690 L N 0.023 121.259 121.223 0.023 0.000 2.482 690 L HA 0.692 5.031 4.340 -0.002 0.000 0.242 690 L C 1.741 178.634 176.870 0.039 0.000 1.210 690 L CA 0.500 55.356 54.840 0.026 0.000 0.819 690 L CB -0.772 41.300 42.059 0.022 0.000 1.203 690 L HN 0.355 nan 8.230 nan 0.000 0.495 691 G N -1.669 107.154 108.800 0.039 0.000 2.606 691 G HA2 0.102 4.061 3.960 -0.002 0.000 0.252 691 G HA3 0.102 4.061 3.960 -0.002 0.000 0.252 691 G C 0.809 175.762 174.900 0.089 0.000 1.206 691 G CA 0.016 45.151 45.100 0.058 0.000 0.861 691 G HN 0.833 nan 8.290 nan 0.000 0.561 692 H N 0.102 119.182 119.070 0.015 0.000 2.423 692 H HA -0.072 4.483 4.556 -0.001 0.000 0.297 692 H C 2.201 177.536 175.328 0.012 0.000 1.075 692 H CA 2.190 58.247 56.048 0.016 0.000 1.342 692 H CB 0.133 29.908 29.762 0.022 0.000 1.395 692 H HN 0.597 nan 8.280 nan 0.000 0.530 693 E N 0.592 120.669 120.200 -0.205 0.000 2.110 693 E HA -0.094 4.255 4.350 -0.002 0.000 0.193 693 E C 2.076 178.595 176.600 -0.135 0.000 0.988 693 E CA 1.212 57.468 56.400 -0.239 0.000 0.804 693 E CB -0.023 29.604 29.700 -0.121 0.000 0.745 693 E HN 0.466 nan 8.360 nan 0.000 0.458 694 K N 0.185 120.549 120.400 -0.060 0.000 2.217 694 K HA 0.039 4.358 4.320 -0.002 0.000 0.202 694 K C 2.022 178.614 176.600 -0.015 0.000 1.051 694 K CA 0.404 56.674 56.287 -0.028 0.000 0.952 694 K CB 0.013 32.510 32.500 -0.005 0.000 0.736 694 K HN 0.124 nan 8.250 nan 0.000 0.453 695 L N 0.812 122.035 121.223 0.000 0.000 2.072 695 L HA -0.143 4.196 4.340 -0.002 0.000 0.205 695 L C 1.800 178.678 176.870 0.013 0.000 1.079 695 L CA 1.354 56.215 54.840 0.034 0.000 0.752 695 L CB -0.314 41.807 42.059 0.103 0.000 0.906 695 L HN 0.227 nan 8.230 nan 0.000 0.436 696 T N -1.296 113.228 114.554 -0.050 0.000 2.867 696 T HA -0.204 4.145 4.350 -0.002 0.000 0.268 696 T C 1.816 176.484 174.700 -0.053 0.000 1.057 696 T CA 0.797 62.856 62.100 -0.068 0.000 1.136 696 T CB -0.128 68.626 68.868 -0.191 0.000 0.874 696 T HN 0.253 nan 8.240 nan 0.000 0.466 697 Q N 0.905 120.670 119.800 -0.058 0.000 2.079 697 Q HA 0.089 4.428 4.340 -0.002 0.000 0.200 697 Q C 2.567 178.557 176.000 -0.018 0.000 0.974 697 Q CA 1.576 57.354 55.803 -0.041 0.000 0.840 697 Q CB -0.495 28.218 28.738 -0.041 0.000 0.898 697 Q HN 0.579 nan 8.270 nan 0.000 0.430 698 A N 0.539 123.356 122.820 -0.005 0.000 1.968 698 A HA -0.097 4.222 4.320 -0.002 0.000 0.217 698 A C 2.097 179.693 177.584 0.020 0.000 1.169 698 A CA 0.869 52.912 52.037 0.010 0.000 0.638 698 A CB -0.329 18.684 19.000 0.021 0.000 0.812 698 A HN 0.123 nan 8.150 nan 0.000 0.446 699 R N 0.535 121.049 120.500 0.022 0.000 2.090 699 R HA -0.053 4.286 4.340 -0.002 0.000 0.228 699 R C 1.683 177.993 176.300 0.017 0.000 1.110 699 R CA 1.402 57.523 56.100 0.034 0.000 0.973 699 R CB -0.687 29.638 30.300 0.041 0.000 0.869 699 R HN 0.672 nan 8.270 nan 0.000 0.440 700 N N 0.457 119.157 118.700 0.001 0.000 2.084 700 N HA -0.209 4.530 4.740 -0.002 0.000 0.190 700 N C 1.804 177.310 175.510 -0.006 0.000 1.030 700 N CA 1.101 54.146 53.050 -0.007 0.000 0.849 700 N CB -0.088 38.386 38.487 -0.022 0.000 1.012 700 N HN 0.373 nan 8.380 nan 0.000 0.423 701 Q N 1.108 120.904 119.800 -0.006 0.000 2.124 701 Q HA -0.133 4.206 4.340 -0.002 0.000 0.202 701 Q C 2.271 178.265 176.000 -0.009 0.000 0.977 701 Q CA 0.940 56.739 55.803 -0.006 0.000 0.850 701 Q CB 0.008 28.744 28.738 -0.004 0.000 0.901 701 Q HN 0.351 nan 8.270 nan 0.000 0.429 702 L N 0.064 121.281 121.223 -0.011 0.000 2.005 702 L HA -0.181 4.158 4.340 -0.002 0.000 0.207 702 L C 2.148 178.997 176.870 -0.035 0.000 1.072 702 L CA 1.203 56.021 54.840 -0.035 0.000 0.744 702 L CB -0.205 41.833 42.059 -0.035 0.000 0.895 702 L HN 0.267 nan 8.230 nan 0.000 0.433 703 L N -0.278 120.938 121.223 -0.012 0.000 2.046 703 L HA -0.189 4.150 4.340 -0.002 0.000 0.208 703 L C 2.772 179.643 176.870 0.001 0.000 1.077 703 L CA 1.203 56.041 54.840 -0.002 0.000 0.747 703 L CB -0.828 41.237 42.059 0.009 0.000 0.896 703 L HN 0.400 nan 8.230 nan 0.000 0.432 704 A N 0.614 123.434 122.820 -0.000 0.000 1.897 704 A HA -0.198 4.121 4.320 -0.002 0.000 0.215 704 A C 2.112 179.700 177.584 0.007 0.000 1.181 704 A CA 1.633 53.671 52.037 0.002 0.000 0.620 704 A CB -0.355 18.644 19.000 -0.002 0.000 0.821 704 A HN 0.536 nan 8.150 nan 0.000 0.443 705 E N -0.374 119.829 120.200 0.005 0.000 2.478 705 E HA 0.373 4.722 4.350 -0.002 0.000 0.194 705 E C 1.319 177.941 176.600 0.038 0.000 1.045 705 E CA 0.904 57.315 56.400 0.018 0.000 0.868 705 E CB -0.098 29.608 29.700 0.011 0.000 0.885 705 E HN 0.354 nan 8.360 nan 0.000 0.505 706 A N 0.737 123.567 122.820 0.016 0.000 2.095 706 A HA 0.443 4.762 4.320 -0.002 0.000 0.212 706 A C 2.315 179.936 177.584 0.061 0.000 1.162 706 A CA 0.672 52.722 52.037 0.023 0.000 0.753 706 A CB -0.304 18.676 19.000 -0.034 0.000 0.840 706 A HN 0.379 nan 8.150 nan 0.000 0.468 707 A N 1.117 123.962 122.820 0.041 0.000 2.066 707 A HA -0.065 4.254 4.320 -0.002 0.000 0.218 707 A C 1.749 179.357 177.584 0.039 0.000 1.157 707 A CA 1.333 53.393 52.037 0.038 0.000 0.670 707 A CB -0.451 18.562 19.000 0.021 0.000 0.804 707 A HN 0.604 nan 8.150 nan 0.000 0.453 708 K N -0.884 119.540 120.400 0.040 0.000 2.627 708 K HA 0.111 4.430 4.320 -0.002 0.000 0.212 708 K C -0.326 176.261 176.600 -0.021 0.000 1.041 708 K CA 0.136 56.427 56.287 0.006 0.000 1.205 708 K CB -0.427 32.067 32.500 -0.010 0.000 0.936 708 K HN 0.472 nan 8.250 nan 0.000 0.489 709 H N 1.077 120.140 119.070 -0.011 0.000 2.534 709 H HA 0.178 4.733 4.556 -0.001 0.000 0.250 709 H C -1.886 173.439 175.328 -0.004 0.000 1.256 709 H CA -1.710 54.332 56.048 -0.010 0.000 1.000 709 H CB 1.086 30.838 29.762 -0.016 0.000 1.801 709 H HN 0.227 nan 8.280 nan 0.000 0.569 710 P HA -0.039 nan 4.420 nan 0.000 0.229 710 P C -0.375 176.940 177.300 0.025 0.000 1.160 710 P CA 0.451 63.572 63.100 0.035 0.000 0.777 710 P CB 0.512 32.219 31.700 0.011 0.000 0.814 711 D N 1.541 121.939 120.400 -0.003 0.000 2.325 711 D HA 0.280 4.919 4.640 -0.002 0.000 0.251 711 D C 0.493 176.837 176.300 0.073 0.000 1.196 711 D CA 0.041 54.042 54.000 0.001 0.000 0.866 711 D CB -0.007 40.761 40.800 -0.052 0.000 1.101 711 D HN -0.167 nan 8.370 nan 0.000 0.476 712 M N 1.164 120.807 119.600 0.071 0.000 2.752 712 M HA -0.213 4.266 4.480 -0.002 0.000 0.186 712 M C -0.624 175.733 176.300 0.095 0.000 1.019 712 M CA 0.031 55.384 55.300 0.088 0.000 0.653 712 M CB -1.286 31.388 32.600 0.124 0.000 1.267 712 M HN 0.400 nan 8.290 nan 0.000 0.816 713 L N 1.081 122.342 121.223 0.064 0.000 2.529 713 L HA 0.512 4.851 4.340 -0.002 0.000 0.287 713 L C 0.858 177.766 176.870 0.064 0.000 1.241 713 L CA 1.480 56.356 54.840 0.060 0.000 0.857 713 L CB 0.654 42.735 42.059 0.037 0.000 1.113 713 L HN 0.663 nan 8.230 nan 0.000 0.504 714 T N 0.111 114.707 114.554 0.070 0.000 2.865 714 T HA 0.667 5.016 4.350 -0.002 0.000 0.294 714 T C -0.577 174.150 174.700 0.046 0.000 1.119 714 T CA -0.825 61.324 62.100 0.082 0.000 1.007 714 T CB 1.448 70.395 68.868 0.132 0.000 1.225 714 T HN 0.470 nan 8.240 nan 0.000 0.515 715 S N 1.205 116.913 115.700 0.012 0.000 2.395 715 S HA 0.521 4.990 4.470 -0.002 0.000 0.207 715 S C -0.173 174.381 174.600 -0.076 0.000 1.454 715 S CA -0.789 57.396 58.200 -0.026 0.000 1.211 715 S CB 0.466 63.642 63.200 -0.039 0.000 1.093 715 S HN 0.993 nan 8.310 nan 0.000 0.472 716 V N 1.315 121.209 119.914 -0.034 0.000 2.398 716 V HA 0.800 4.919 4.120 -0.002 0.000 0.286 716 V C -0.316 175.761 176.094 -0.030 0.000 1.026 716 V CA -0.641 61.630 62.300 -0.048 0.000 0.868 716 V CB 1.286 33.134 31.823 0.040 0.000 0.982 716 V HN 0.570 nan 8.190 nan 0.000 0.443 717 R N 4.482 124.953 120.500 -0.049 0.000 2.698 717 R HA 0.634 4.973 4.340 -0.002 0.000 0.275 717 R C -2.974 173.321 176.300 -0.009 0.000 1.001 717 R CA -1.599 54.492 56.100 -0.015 0.000 0.896 717 R CB 3.067 33.362 30.300 -0.007 0.000 1.218 717 R HN 0.591 nan 8.270 nan 0.000 0.462 718 P HA 0.200 nan 4.420 nan 0.000 0.293 718 P C -0.858 176.457 177.300 0.025 0.000 1.304 718 P CA -0.520 62.596 63.100 0.026 0.000 0.767 718 P CB 0.927 32.650 31.700 0.038 0.000 1.247 719 N N -1.651 117.068 118.700 0.031 0.000 2.284 719 N HA 0.380 5.119 4.740 -0.002 0.000 0.300 719 N C 0.862 176.403 175.510 0.051 0.000 1.047 719 N CA 0.513 53.586 53.050 0.038 0.000 0.821 719 N CB 1.670 40.173 38.487 0.027 0.000 1.337 719 N HN 0.740 nan 8.380 nan 0.000 0.482 720 G N 3.423 112.261 108.800 0.063 0.000 5.452 720 G HA2 -0.380 3.579 3.960 -0.002 0.000 0.310 720 G HA3 -0.380 3.579 3.960 -0.002 0.000 0.310 720 G C 0.828 175.767 174.900 0.066 0.000 1.392 720 G CA 0.847 45.986 45.100 0.065 0.000 0.942 720 G HN 1.049 nan 8.290 nan 0.000 0.776 721 L N -1.864 119.398 121.223 0.065 0.000 3.982 721 L HA -0.459 3.880 4.340 -0.002 0.000 0.053 721 L C 1.872 178.786 176.870 0.073 0.000 4.051 721 L CA 4.016 58.896 54.840 0.067 0.000 0.965 721 L CB -1.477 40.614 42.059 0.054 0.000 3.355 721 L HN 1.362 nan 8.230 nan 0.000 0.862 722 E N -0.301 119.938 120.200 0.065 0.000 4.109 722 E HA -0.394 3.955 4.350 -0.002 0.000 0.206 722 E C 0.717 177.362 176.600 0.075 0.000 1.281 722 E CA 1.946 58.388 56.400 0.070 0.000 2.179 722 E CB -1.578 28.171 29.700 0.080 0.000 1.884 722 E HN 0.967 nan 8.360 nan 0.000 0.280 723 D N 1.490 121.954 120.400 0.105 0.000 3.357 723 D HA -0.132 4.507 4.640 -0.002 0.000 0.238 723 D C -0.479 175.932 176.300 0.186 0.000 1.126 723 D CA 1.409 55.489 54.000 0.134 0.000 0.984 723 D CB -0.815 40.031 40.800 0.076 0.000 0.925 723 D HN 0.402 nan 8.370 nan 0.000 0.414 724 T N 0.599 115.282 114.554 0.215 0.000 2.922 724 T HA 0.678 5.027 4.350 -0.002 0.000 0.285 724 T C -2.562 172.334 174.700 0.326 0.000 1.005 724 T CA -1.651 60.598 62.100 0.250 0.000 1.061 724 T CB 1.992 70.970 68.868 0.183 0.000 1.007 724 T HN -0.024 nan 8.240 nan 0.000 0.502 725 P HA 0.196 nan 4.420 nan 0.000 0.263 725 P C -0.593 176.979 177.300 0.454 0.000 1.195 725 P CA -0.004 63.237 63.100 0.235 0.000 0.762 725 P CB 0.257 31.968 31.700 0.018 0.000 0.799 726 Q N 1.581 121.584 119.800 0.339 0.000 2.351 726 Q HA 0.544 4.883 4.340 -0.002 0.000 0.273 726 Q C -1.096 174.859 176.000 -0.075 0.000 1.077 726 Q CA -0.735 55.173 55.803 0.174 0.000 0.843 726 Q CB 1.705 30.500 28.738 0.094 0.000 1.367 726 Q HN 0.330 nan 8.270 nan 0.000 0.449 727 F N 1.648 121.322 119.950 -0.459 0.000 2.361 727 F HA 0.311 4.837 4.527 -0.002 0.000 0.364 727 F C -0.313 175.244 175.800 -0.404 0.000 1.120 727 F CA -0.461 57.114 58.000 -0.709 0.000 1.102 727 F CB 0.821 39.269 39.000 -0.920 0.000 1.183 727 F HN 0.208 nan 8.300 nan 0.000 0.476 728 K N 6.735 126.787 120.400 -0.579 0.000 2.263 728 K HA 0.470 4.790 4.320 -0.002 0.000 0.272 728 K C -1.072 175.306 176.600 -0.371 0.000 1.033 728 K CA -0.643 55.435 56.287 -0.347 0.000 0.884 728 K CB 0.638 32.989 32.500 -0.248 0.000 1.107 728 K HN 0.571 nan 8.250 nan 0.000 0.460 729 I N 3.878 124.329 120.570 -0.198 0.000 2.322 729 I HA 0.045 4.214 4.170 -0.002 0.000 0.292 729 I C -0.187 175.895 176.117 -0.059 0.000 1.060 729 I CA -0.149 61.081 61.300 -0.116 0.000 1.309 729 I CB 1.054 39.008 38.000 -0.076 0.000 1.415 729 I HN 0.527 nan 8.210 nan 0.000 0.492 730 D N 7.392 127.761 120.400 -0.052 0.000 2.428 730 D HA 0.352 4.991 4.640 -0.002 0.000 0.221 730 D C -0.245 176.084 176.300 0.049 0.000 1.123 730 D CA -0.310 53.680 54.000 -0.017 0.000 0.869 730 D CB 0.482 41.256 40.800 -0.043 0.000 1.032 730 D HN 0.310 nan 8.370 nan 0.000 0.506 731 I N 2.818 123.433 120.570 0.075 0.000 2.452 731 I HA 0.060 4.229 4.170 -0.002 0.000 0.287 731 I C 0.703 176.863 176.117 0.071 0.000 1.079 731 I CA -0.223 61.152 61.300 0.124 0.000 1.387 731 I CB 0.658 38.710 38.000 0.087 0.000 1.404 731 I HN 0.297 nan 8.210 nan 0.000 0.522 732 D N 7.123 127.584 120.400 0.101 0.000 2.367 732 D HA -0.015 4.624 4.640 -0.002 0.000 0.255 732 D C 1.070 177.377 176.300 0.012 0.000 1.300 732 D CA 0.087 54.121 54.000 0.056 0.000 0.959 732 D CB 0.881 41.727 40.800 0.076 0.000 1.064 732 D HN 0.480 nan 8.370 nan 0.000 0.509 733 Q N 2.538 122.331 119.800 -0.011 0.000 2.124 733 Q HA -0.194 4.145 4.340 -0.002 0.000 0.202 733 Q C 1.627 177.601 176.000 -0.043 0.000 0.977 733 Q CA 1.208 56.987 55.803 -0.041 0.000 0.850 733 Q CB 0.159 28.879 28.738 -0.030 0.000 0.901 733 Q HN 0.754 nan 8.270 nan 0.000 0.429 734 E N -0.041 120.147 120.200 -0.021 0.000 2.170 734 E HA -0.054 4.295 4.350 -0.002 0.000 0.191 734 E C 1.741 178.333 176.600 -0.014 0.000 0.981 734 E CA 0.381 56.770 56.400 -0.018 0.000 0.830 734 E CB -0.075 29.621 29.700 -0.008 0.000 0.775 734 E HN 0.100 nan 8.360 nan 0.000 0.470 735 K N 0.698 121.099 120.400 0.001 0.000 2.103 735 K HA 0.007 4.326 4.320 -0.002 0.000 0.204 735 K C 2.242 178.840 176.600 -0.004 0.000 1.052 735 K CA 0.983 57.282 56.287 0.019 0.000 0.945 735 K CB -0.068 32.469 32.500 0.061 0.000 0.722 735 K HN 0.197 nan 8.250 nan 0.000 0.443 736 A N 1.180 123.961 122.820 -0.065 0.000 1.898 736 A HA -0.205 4.114 4.320 -0.002 0.000 0.216 736 A C 2.037 179.538 177.584 -0.137 0.000 1.181 736 A CA 1.279 53.203 52.037 -0.189 0.000 0.620 736 A CB -0.414 18.371 19.000 -0.359 0.000 0.819 736 A HN 0.310 nan 8.150 nan 0.000 0.442 737 Q N -0.899 118.845 119.800 -0.095 0.000 2.230 737 Q HA -0.006 4.333 4.340 -0.002 0.000 0.202 737 Q C 2.058 178.032 176.000 -0.042 0.000 0.963 737 Q CA 0.979 56.741 55.803 -0.068 0.000 0.866 737 Q CB -0.221 28.485 28.738 -0.053 0.000 0.931 737 Q HN 0.646 nan 8.270 nan 0.000 0.452 738 A N 0.449 123.250 122.820 -0.030 0.000 1.930 738 A HA -0.099 4.221 4.320 -0.002 0.000 0.215 738 A C 1.836 179.416 177.584 -0.007 0.000 1.176 738 A CA 1.096 53.126 52.037 -0.013 0.000 0.632 738 A CB -0.310 18.688 19.000 -0.003 0.000 0.819 738 A HN 0.461 nan 8.150 nan 0.000 0.445 739 L N -4.038 117.180 121.223 -0.008 0.000 2.477 739 L HA 0.582 4.921 4.340 -0.002 0.000 0.220 739 L C 1.183 178.050 176.870 -0.006 0.000 1.106 739 L CA 1.102 55.946 54.840 0.006 0.000 0.851 739 L CB -0.321 41.759 42.059 0.034 0.000 0.994 739 L HN 0.555 nan 8.230 nan 0.000 0.462 740 G N 0.195 108.976 108.800 -0.031 0.000 2.151 740 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.156 740 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.156 740 G C -0.035 174.834 174.900 -0.052 0.000 1.017 740 G CA -0.182 44.898 45.100 -0.033 0.000 0.686 740 G HN 0.706 nan 8.290 nan 0.000 0.503 741 V N -1.781 118.073 119.914 -0.100 0.000 2.547 741 V HA 0.900 5.019 4.120 -0.002 0.000 0.299 741 V C 0.699 176.698 176.094 -0.159 0.000 1.040 741 V CA -0.336 61.880 62.300 -0.141 0.000 0.913 741 V CB 1.696 33.376 31.823 -0.239 0.000 0.992 741 V HN 0.841 nan 8.190 nan 0.000 0.449 742 S N 2.060 117.686 115.700 -0.124 0.000 2.565 742 S HA 0.460 4.929 4.470 -0.002 0.000 0.274 742 S C 0.983 175.500 174.600 -0.138 0.000 1.309 742 S CA -0.560 57.578 58.200 -0.104 0.000 1.043 742 S CB 0.485 63.649 63.200 -0.059 0.000 0.939 742 S HN 0.652 nan 8.310 nan 0.000 0.504 743 I N 3.957 124.457 120.570 -0.117 0.000 2.394 743 I HA -0.137 4.032 4.170 -0.002 0.000 0.251 743 I C 2.184 178.261 176.117 -0.067 0.000 1.136 743 I CA 0.820 62.053 61.300 -0.112 0.000 1.425 743 I CB -0.366 37.586 38.000 -0.080 0.000 1.079 743 I HN 0.653 nan 8.210 nan 0.000 0.425 744 N N 0.898 119.572 118.700 -0.044 0.000 2.309 744 N HA -0.150 4.589 4.740 -0.002 0.000 0.182 744 N C 1.121 176.627 175.510 -0.006 0.000 1.018 744 N CA 1.155 54.196 53.050 -0.015 0.000 0.876 744 N CB -0.097 38.386 38.487 -0.008 0.000 0.972 744 N HN 0.398 nan 8.380 nan 0.000 0.434 745 D N 1.090 121.475 120.400 -0.025 0.000 2.149 745 D HA 0.019 4.658 4.640 -0.002 0.000 0.201 745 D C 2.067 178.370 176.300 0.004 0.000 0.972 745 D CA 0.476 54.472 54.000 -0.006 0.000 0.835 745 D CB 0.031 40.818 40.800 -0.022 0.000 0.966 745 D HN 0.282 nan 8.370 nan 0.000 0.476 746 I N 0.956 121.492 120.570 -0.057 0.000 2.193 746 I HA -0.177 3.992 4.170 -0.002 0.000 0.240 746 I C 1.950 178.126 176.117 0.098 0.000 1.084 746 I CA 0.659 61.933 61.300 -0.043 0.000 1.365 746 I CB -0.190 37.667 38.000 -0.238 0.000 1.064 746 I HN -0.116 nan 8.210 nan 0.000 0.410 747 N N 0.425 119.156 118.700 0.051 0.000 2.289 747 N HA -0.116 4.623 4.740 -0.002 0.000 0.184 747 N C 1.792 177.348 175.510 0.076 0.000 1.016 747 N CA 1.571 54.663 53.050 0.069 0.000 0.872 747 N CB -0.351 38.160 38.487 0.039 0.000 0.973 747 N HN 0.364 nan 8.380 nan 0.000 0.433 748 T N -0.027 114.570 114.554 0.072 0.000 2.851 748 T HA -0.036 4.313 4.350 -0.002 0.000 0.262 748 T C 1.928 176.679 174.700 0.084 0.000 1.043 748 T CA 1.247 63.390 62.100 0.073 0.000 1.140 748 T CB -0.415 68.490 68.868 0.063 0.000 0.872 748 T HN 0.246 nan 8.240 nan 0.000 0.446 749 T N 2.402 117.030 114.554 0.123 0.000 2.746 749 T HA -0.017 4.332 4.350 -0.002 0.000 0.267 749 T C 1.848 176.610 174.700 0.103 0.000 1.039 749 T CA 0.790 62.979 62.100 0.149 0.000 1.142 749 T CB -0.385 68.666 68.868 0.306 0.000 0.866 749 T HN 0.089 nan 8.240 nan 0.000 0.444 750 L N 0.858 122.187 121.223 0.177 0.000 2.179 750 L HA 0.246 4.585 4.340 -0.002 0.000 0.208 750 L C 2.424 179.316 176.870 0.037 0.000 1.096 750 L CA 1.381 56.239 54.840 0.029 0.000 0.779 750 L CB -0.754 41.329 42.059 0.040 0.000 0.922 750 L HN 0.285 nan 8.230 nan 0.000 0.443 751 G N -1.494 107.339 108.800 0.054 0.000 2.411 751 G HA2 -0.074 3.886 3.960 -0.002 0.000 0.213 751 G HA3 -0.074 3.886 3.960 -0.002 0.000 0.213 751 G C 1.512 176.450 174.900 0.064 0.000 1.166 751 G CA 0.509 45.639 45.100 0.050 0.000 0.802 751 G HN 0.495 nan 8.290 nan 0.000 0.533 752 A N 0.722 123.570 122.820 0.047 0.000 1.975 752 A HA 0.543 4.862 4.320 -0.002 0.000 0.215 752 A C 2.501 180.073 177.584 -0.021 0.000 1.170 752 A CA 1.676 53.734 52.037 0.035 0.000 0.656 752 A CB -0.294 18.728 19.000 0.037 0.000 0.821 752 A HN 0.643 nan 8.150 nan 0.000 0.449 753 A N -2.790 119.950 122.820 -0.133 0.000 2.218 753 A HA 0.239 4.558 4.320 -0.002 0.000 0.209 753 A C 1.416 178.736 177.584 -0.440 0.000 1.168 753 A CA 0.588 52.374 52.037 -0.417 0.000 0.804 753 A CB -0.452 17.820 19.000 -1.213 0.000 0.834 753 A HN 0.690 nan 8.150 nan 0.000 0.482 754 W N -2.579 118.602 121.300 -0.198 0.000 2.974 754 W HA 0.313 4.972 4.660 -0.002 0.000 0.250 754 W C 1.998 178.491 176.519 -0.043 0.000 1.074 754 W CA 0.470 57.746 57.345 -0.115 0.000 1.410 754 W CB 0.173 29.527 29.460 -0.176 0.000 0.846 754 W HN 0.222 nan 8.180 nan 0.000 0.680 755 G N -0.389 108.505 108.800 0.158 0.000 2.747 755 G HA2 0.449 4.408 3.960 -0.002 0.000 0.202 755 G HA3 0.449 4.408 3.960 -0.002 0.000 0.202 755 G C 0.603 175.561 174.900 0.097 0.000 1.090 755 G CA 0.465 45.627 45.100 0.102 0.000 0.779 755 G HN 0.401 nan 8.290 nan 0.000 0.535 756 G N -0.844 108.018 108.800 0.102 0.000 2.907 756 G HA2 0.256 4.215 3.960 -0.002 0.000 0.686 756 G HA3 0.256 4.215 3.960 -0.002 0.000 0.686 756 G C -0.554 174.465 174.900 0.198 0.000 1.115 756 G CA 0.030 45.210 45.100 0.134 0.000 0.760 756 G HN 0.956 nan 8.290 nan 0.000 0.620 757 S N 0.657 116.480 115.700 0.206 0.000 2.478 757 S HA 0.597 5.066 4.470 -0.002 0.000 0.312 757 S C -0.317 174.371 174.600 0.148 0.000 1.094 757 S CA -0.614 57.699 58.200 0.188 0.000 1.081 757 S CB 0.884 64.150 63.200 0.110 0.000 1.007 757 S HN 1.313 nan 8.310 nan 0.000 0.475 758 Y N 6.293 126.577 120.300 -0.027 0.000 2.584 758 Y HA 0.266 4.815 4.550 -0.002 0.000 0.351 758 Y C 0.822 176.617 175.900 -0.175 0.000 1.030 758 Y CA -0.031 57.881 58.100 -0.313 0.000 1.332 758 Y CB -0.112 38.236 38.460 -0.188 0.000 1.148 758 Y HN 0.488 nan 8.280 nan 0.000 0.528 759 V N 5.532 125.430 119.914 -0.027 0.000 2.278 759 V HA -0.052 4.068 4.120 -0.002 0.000 0.238 759 V C 0.863 177.054 176.094 0.161 0.000 1.039 759 V CA 1.641 63.978 62.300 0.061 0.000 1.017 759 V CB -0.381 31.436 31.823 -0.009 0.000 0.657 759 V HN 0.880 nan 8.190 nan 0.000 0.462 760 N N -0.598 118.136 118.700 0.057 0.000 3.526 760 N HA 0.217 4.956 4.740 -0.002 0.000 0.328 760 N C -2.029 173.506 175.510 0.042 0.000 1.601 760 N CA -0.603 52.542 53.050 0.158 0.000 0.834 760 N CB 1.617 40.180 38.487 0.126 0.000 1.983 760 N HN 0.198 nan 8.380 nan 0.000 0.579 761 D N -0.464 120.015 120.400 0.131 0.000 2.269 761 D HA 0.656 5.295 4.640 -0.002 0.000 0.244 761 D C -1.106 175.341 176.300 0.246 0.000 0.992 761 D CA -0.269 53.809 54.000 0.131 0.000 0.894 761 D CB 1.736 42.597 40.800 0.102 0.000 1.248 761 D HN 0.489 nan 8.370 nan 0.000 0.468 762 F N -0.748 119.225 119.950 0.037 0.000 2.650 762 F HA 0.632 5.158 4.527 -0.002 0.000 0.320 762 F C -1.579 174.258 175.800 0.062 0.000 1.091 762 F CA -1.263 56.793 58.000 0.093 0.000 0.962 762 F CB 1.014 40.146 39.000 0.220 0.000 1.363 762 F HN 0.030 nan 8.300 nan 0.000 0.482 763 I N 2.268 122.746 120.570 -0.154 0.000 2.315 763 I HA 0.230 4.399 4.170 -0.002 0.000 0.291 763 I C -0.975 174.937 176.117 -0.341 0.000 1.006 763 I CA -0.100 61.041 61.300 -0.265 0.000 1.265 763 I CB 0.627 38.596 38.000 -0.052 0.000 1.387 763 I HN 0.628 nan 8.210 nan 0.000 0.475 764 D N 6.936 127.055 120.400 -0.469 0.000 2.461 764 D HA 0.364 5.003 4.640 -0.002 0.000 0.240 764 D C 0.083 176.336 176.300 -0.078 0.000 1.094 764 D CA -0.394 53.479 54.000 -0.211 0.000 0.868 764 D CB 0.454 41.099 40.800 -0.258 0.000 1.062 764 D HN 0.439 nan 8.370 nan 0.000 0.530 765 R N 2.980 123.476 120.500 -0.006 0.000 3.336 765 R HA -0.150 4.189 4.340 -0.002 0.000 0.260 765 R C 0.843 177.128 176.300 -0.024 0.000 1.032 765 R CA 0.623 56.727 56.100 0.006 0.000 0.693 765 R CB -1.883 28.436 30.300 0.032 0.000 1.134 765 R HN 0.850 nan 8.270 nan 0.000 0.433 766 G N -0.015 108.763 108.800 -0.038 0.000 2.182 766 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.248 766 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.248 766 G C -0.080 174.779 174.900 -0.069 0.000 1.042 766 G CA 0.472 45.544 45.100 -0.046 0.000 0.775 766 G HN 0.568 nan 8.290 nan 0.000 0.501 767 R N -0.858 119.580 120.500 -0.103 0.000 2.548 767 R HA 0.540 4.879 4.340 -0.002 0.000 0.280 767 R C -0.428 175.760 176.300 -0.188 0.000 1.061 767 R CA -0.616 55.411 56.100 -0.121 0.000 0.915 767 R CB 1.906 32.140 30.300 -0.110 0.000 1.210 767 R HN 0.546 nan 8.270 nan 0.000 0.442 768 V N 4.979 124.805 119.914 -0.146 0.000 2.479 768 V HA 0.310 4.429 4.120 -0.002 0.000 0.281 768 V C -0.742 175.243 176.094 -0.183 0.000 1.031 768 V CA 0.670 62.873 62.300 -0.161 0.000 1.038 768 V CB 0.431 32.211 31.823 -0.071 0.000 0.981 768 V HN 0.741 nan 8.190 nan 0.000 0.478 769 K N 4.955 125.167 120.400 -0.312 0.000 2.443 769 K HA 0.555 4.875 4.320 -0.002 0.000 0.251 769 K C -0.851 175.723 176.600 -0.043 0.000 0.972 769 K CA -1.023 55.136 56.287 -0.214 0.000 0.833 769 K CB 2.537 34.855 32.500 -0.303 0.000 1.317 769 K HN 0.572 nan 8.250 nan 0.000 0.441 770 K N 0.588 120.999 120.400 0.019 0.000 2.138 770 K HA 0.339 4.658 4.320 -0.002 0.000 0.251 770 K C -0.686 175.871 176.600 -0.072 0.000 1.015 770 K CA -0.507 55.682 56.287 -0.163 0.000 0.917 770 K CB 0.935 33.226 32.500 -0.349 0.000 1.021 770 K HN 0.140 nan 8.250 nan 0.000 0.485 771 V N 2.787 122.464 119.914 -0.395 0.000 2.407 771 V HA 0.279 4.398 4.120 -0.002 0.000 0.291 771 V C -1.347 174.426 176.094 -0.535 0.000 1.018 771 V CA -0.833 61.252 62.300 -0.359 0.000 0.842 771 V CB 0.457 32.153 31.823 -0.213 0.000 0.996 771 V HN 0.563 nan 8.190 nan 0.000 0.426 772 Y N 2.825 122.949 120.300 -0.293 0.000 2.393 772 Y HA 0.688 5.237 4.550 -0.001 0.000 0.341 772 Y C -0.053 175.666 175.900 -0.302 0.000 0.988 772 Y CA -0.790 57.158 58.100 -0.254 0.000 1.078 772 Y CB 2.274 40.596 38.460 -0.229 0.000 1.203 772 Y HN 0.411 nan 8.280 nan 0.000 0.453 773 V N 5.902 125.790 119.914 -0.043 0.000 2.444 773 V HA 0.384 4.503 4.120 -0.002 0.000 0.294 773 V C -0.400 175.671 176.094 -0.038 0.000 1.022 773 V CA -0.204 62.035 62.300 -0.102 0.000 0.850 773 V CB 1.566 33.360 31.823 -0.048 0.000 0.992 773 V HN 1.074 nan 8.190 nan 0.000 0.426 774 M N 4.579 124.131 119.600 -0.079 0.000 2.180 774 M HA 0.370 4.849 4.480 -0.002 0.000 0.266 774 M C 0.212 176.619 176.300 0.178 0.000 1.200 774 M CA 0.929 56.264 55.300 0.059 0.000 1.101 774 M CB 0.848 33.517 32.600 0.115 0.000 1.769 774 M HN 0.892 nan 8.290 nan 0.000 0.609 775 S N 1.845 117.739 115.700 0.323 0.000 3.175 775 S HA -0.115 4.354 4.470 -0.002 0.000 0.852 775 S C -0.753 174.175 174.600 0.546 0.000 1.047 775 S CA 0.015 58.485 58.200 0.451 0.000 1.220 775 S CB -0.545 62.918 63.200 0.437 0.000 0.858 775 S HN 0.614 nan 8.310 nan 0.000 0.254 776 E N 2.810 123.268 120.200 0.428 0.000 2.437 776 E HA 0.308 4.657 4.350 -0.002 0.000 0.263 776 E C 1.610 178.199 176.600 -0.018 0.000 1.030 776 E CA 0.273 56.732 56.400 0.098 0.000 0.934 776 E CB 0.217 29.985 29.700 0.114 0.000 0.943 776 E HN 0.828 nan 8.360 nan 0.000 0.444 777 A N 3.727 126.403 122.820 -0.240 0.000 1.908 777 A HA -0.284 4.035 4.320 -0.002 0.000 0.218 777 A C 1.999 179.435 177.584 -0.247 0.000 1.181 777 A CA 2.021 53.922 52.037 -0.228 0.000 0.627 777 A CB -0.429 18.405 19.000 -0.277 0.000 0.818 777 A HN 0.680 nan 8.150 nan 0.000 0.445 778 K N -0.976 119.211 120.400 -0.355 0.000 2.169 778 K HA -0.241 4.078 4.320 -0.002 0.000 0.213 778 K C 0.599 176.835 176.600 -0.606 0.000 1.050 778 K CA 2.341 58.279 56.287 -0.581 0.000 0.935 778 K CB -0.562 31.370 32.500 -0.946 0.000 0.722 778 K HN 0.628 nan 8.250 nan 0.000 0.468 779 Y N -0.379 119.836 120.300 -0.142 0.000 2.708 779 Y HA 0.285 4.834 4.550 -0.001 0.000 0.287 779 Y C 0.303 176.052 175.900 -0.251 0.000 1.145 779 Y CA -0.264 57.743 58.100 -0.154 0.000 1.249 779 Y CB 0.412 38.755 38.460 -0.195 0.000 1.152 779 Y HN 0.130 nan 8.280 nan 0.000 0.532 780 R N -2.159 118.187 120.500 -0.257 0.000 2.518 780 R HA 0.240 4.579 4.340 -0.002 0.000 0.419 780 R C 0.282 176.502 176.300 -0.133 0.000 0.902 780 R CA -0.019 55.727 56.100 -0.591 0.000 1.146 780 R CB -0.331 29.452 30.300 -0.862 0.000 1.652 780 R HN 0.068 nan 8.270 nan 0.000 0.555 781 M N 0.639 120.200 119.600 -0.065 0.000 2.476 781 M HA 0.308 4.787 4.480 -0.002 0.000 0.262 781 M C 0.377 176.702 176.300 0.042 0.000 1.111 781 M CA 0.626 55.919 55.300 -0.011 0.000 1.127 781 M CB -0.220 32.344 32.600 -0.060 0.000 1.376 781 M HN 0.167 nan 8.290 nan 0.000 0.465 782 L N 0.554 121.819 121.223 0.069 0.000 2.341 782 L HA 0.328 4.667 4.340 -0.002 0.000 0.267 782 L C -1.383 175.507 176.870 0.034 0.000 1.009 782 L CA -1.745 53.122 54.840 0.046 0.000 0.819 782 L CB 2.176 44.253 42.059 0.029 0.000 1.323 782 L HN -0.164 nan 8.230 nan 0.000 0.425 783 P HA -0.086 nan 4.420 nan 0.000 0.226 783 P C 0.209 177.406 177.300 -0.172 0.000 1.153 783 P CA 0.965 63.774 63.100 -0.485 0.000 0.777 783 P CB 0.303 31.508 31.700 -0.826 0.000 0.794 784 D N -0.177 120.208 120.400 -0.025 0.000 2.317 784 D HA -0.087 4.552 4.640 -0.002 0.000 0.211 784 D C 1.272 177.628 176.300 0.094 0.000 0.966 784 D CA 0.738 54.759 54.000 0.035 0.000 0.876 784 D CB -0.485 40.338 40.800 0.038 0.000 0.927 784 D HN 0.108 nan 8.370 nan 0.000 0.519 785 D N -0.004 120.500 120.400 0.174 0.000 2.348 785 D HA -0.024 4.616 4.640 -0.002 0.000 0.216 785 D C 1.953 178.566 176.300 0.521 0.000 0.970 785 D CA 0.236 54.409 54.000 0.288 0.000 0.889 785 D CB 0.026 40.998 40.800 0.288 0.000 0.912 785 D HN 0.317 nan 8.370 nan 0.000 0.524 786 I N 0.822 121.626 120.570 0.391 0.000 2.179 786 I HA -0.150 4.019 4.170 -0.002 0.000 0.242 786 I C 2.495 178.688 176.117 0.127 0.000 1.088 786 I CA 1.379 62.778 61.300 0.166 0.000 1.357 786 I CB -0.450 37.373 38.000 -0.295 0.000 1.051 786 I HN 0.025 nan 8.210 nan 0.000 0.409 787 G N 0.134 108.986 108.800 0.088 0.000 2.509 787 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.218 787 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.218 787 G C 1.005 175.912 174.900 0.012 0.000 1.124 787 G CA 0.589 45.716 45.100 0.046 0.000 0.776 787 G HN 0.309 nan 8.290 nan 0.000 0.547 788 D N -0.467 119.979 120.400 0.077 0.000 2.312 788 D HA 0.014 4.653 4.640 -0.002 0.000 0.211 788 D C 0.359 176.657 176.300 -0.003 0.000 0.964 788 D CA 0.081 54.092 54.000 0.017 0.000 0.877 788 D CB 0.021 40.785 40.800 -0.060 0.000 0.924 788 D HN 0.451 nan 8.370 nan 0.000 0.515 789 W N 0.185 121.590 121.300 0.175 0.000 2.315 789 W HA 0.382 5.041 4.660 -0.002 0.000 0.316 789 W C -0.220 176.471 176.519 0.287 0.000 1.211 789 W CA -0.532 57.003 57.345 0.317 0.000 1.201 789 W CB 0.438 30.114 29.460 0.359 0.000 1.184 789 W HN -0.187 nan 8.180 nan 0.000 0.544 790 Y N 1.510 122.116 120.300 0.509 0.000 2.446 790 Y HA 0.606 5.155 4.550 -0.001 0.000 0.345 790 Y C -0.272 175.812 175.900 0.306 0.000 0.984 790 Y CA -1.196 57.098 58.100 0.322 0.000 1.058 790 Y CB 1.726 40.290 38.460 0.173 0.000 1.220 790 Y HN -0.050 nan 8.280 nan 0.000 0.455 791 V N 3.794 123.915 119.914 0.346 0.000 2.588 791 V HA 0.464 4.583 4.120 -0.002 0.000 0.304 791 V C -0.411 175.792 176.094 0.182 0.000 1.042 791 V CA -1.209 61.227 62.300 0.228 0.000 0.877 791 V CB 1.746 33.636 31.823 0.112 0.000 0.996 791 V HN 0.786 nan 8.190 nan 0.000 0.425 792 R N 4.083 124.668 120.500 0.142 0.000 2.582 792 R HA 0.746 5.085 4.340 -0.002 0.000 0.271 792 R C 0.014 176.351 176.300 0.061 0.000 1.078 792 R CA 0.172 56.335 56.100 0.105 0.000 1.127 792 R CB 1.073 31.426 30.300 0.088 0.000 1.038 792 R HN 0.759 nan 8.270 nan 0.000 0.500 793 A N 2.091 124.941 122.820 0.051 0.000 2.420 793 A HA 0.585 4.904 4.320 -0.002 0.000 0.291 793 A C 1.096 178.690 177.584 0.017 0.000 1.228 793 A CA -0.234 51.816 52.037 0.022 0.000 0.933 793 A CB 0.519 19.535 19.000 0.026 0.000 1.428 793 A HN 0.965 nan 8.150 nan 0.000 0.493 794 A N -0.209 122.614 122.820 0.005 0.000 1.933 794 A HA -0.103 4.216 4.320 -0.002 0.000 0.218 794 A C 1.304 178.894 177.584 0.011 0.000 1.175 794 A CA 1.984 54.024 52.037 0.005 0.000 0.628 794 A CB -0.708 18.290 19.000 -0.002 0.000 0.814 794 A HN 0.807 nan 8.150 nan 0.000 0.444 795 D N -1.162 119.247 120.400 0.014 0.000 2.363 795 D HA 0.204 4.843 4.640 -0.002 0.000 0.226 795 D C 1.039 177.352 176.300 0.021 0.000 1.020 795 D CA 0.785 54.795 54.000 0.016 0.000 0.892 795 D CB -0.863 39.947 40.800 0.016 0.000 0.900 795 D HN 0.850 nan 8.370 nan 0.000 0.531 796 G N 1.109 109.925 108.800 0.026 0.000 2.291 796 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.271 796 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.271 796 G C -0.406 174.516 174.900 0.036 0.000 1.099 796 G CA 0.164 45.283 45.100 0.032 0.000 0.919 796 G HN 0.607 nan 8.290 nan 0.000 0.496 797 Q N -1.573 118.255 119.800 0.046 0.000 2.418 797 Q HA 0.824 5.163 4.340 -0.002 0.000 0.282 797 Q C -0.317 175.736 176.000 0.088 0.000 1.044 797 Q CA -1.341 54.494 55.803 0.053 0.000 0.813 797 Q CB 0.762 29.525 28.738 0.041 0.000 1.428 797 Q HN 0.091 nan 8.270 nan 0.000 0.402 798 M N 1.235 120.897 119.600 0.102 0.000 2.245 798 M HA 0.425 4.904 4.480 -0.002 0.000 0.344 798 M C -0.990 175.497 176.300 0.311 0.000 1.170 798 M CA -0.094 55.330 55.300 0.207 0.000 1.135 798 M CB 1.125 33.805 32.600 0.132 0.000 1.574 798 M HN 0.599 nan 8.290 nan 0.000 0.452 799 V N 6.419 126.547 119.914 0.357 0.000 2.577 799 V HA 0.537 4.656 4.120 -0.002 0.000 0.303 799 V C -2.223 173.910 176.094 0.065 0.000 1.042 799 V CA -1.477 60.974 62.300 0.250 0.000 0.872 799 V CB 1.995 33.949 31.823 0.219 0.000 0.998 799 V HN 0.731 nan 8.190 nan 0.000 0.423 800 P HA 0.278 nan 4.420 nan 0.000 0.274 800 P C 0.575 177.515 177.300 -0.600 0.000 1.256 800 P CA -0.212 62.481 63.100 -0.677 0.000 0.795 800 P CB 1.197 32.502 31.700 -0.659 0.000 1.038 801 F N 0.566 120.135 119.950 -0.634 0.000 2.113 801 F HA -0.189 4.337 4.527 -0.002 0.000 0.297 801 F C 2.772 178.014 175.800 -0.930 0.000 1.103 801 F CA 2.531 59.973 58.000 -0.930 0.000 1.248 801 F CB -0.840 37.954 39.000 -0.342 0.000 0.999 801 F HN 0.287 nan 8.300 nan 0.000 0.475 802 S N 0.101 115.633 115.700 -0.280 0.000 2.465 802 S HA -0.179 4.290 4.470 -0.002 0.000 0.241 802 S C 1.983 176.454 174.600 -0.215 0.000 1.000 802 S CA 0.771 58.860 58.200 -0.186 0.000 0.964 802 S CB -0.849 62.300 63.200 -0.087 0.000 0.763 802 S HN 0.282 nan 8.310 nan 0.000 0.512 803 A N 0.973 123.603 122.820 -0.318 0.000 2.119 803 A HA 0.303 4.622 4.320 -0.002 0.000 0.217 803 A C 1.617 179.162 177.584 -0.065 0.000 1.153 803 A CA 0.870 52.809 52.037 -0.164 0.000 0.692 803 A CB -0.659 18.278 19.000 -0.105 0.000 0.799 803 A HN 0.952 nan 8.150 nan 0.000 0.458 804 F N -2.121 117.808 119.950 -0.035 0.000 2.856 804 F HA 0.361 4.887 4.527 -0.001 0.000 0.338 804 F C 0.340 176.127 175.800 -0.020 0.000 1.100 804 F CA -0.037 57.936 58.000 -0.044 0.000 1.150 804 F CB -0.047 38.901 39.000 -0.087 0.000 1.101 804 F HN 0.063 nan 8.300 nan 0.000 0.548 805 S N 0.584 116.269 115.700 -0.025 0.000 2.482 805 S HA 0.612 5.081 4.470 -0.002 0.000 0.303 805 S C -0.525 174.087 174.600 0.021 0.000 1.091 805 S CA -0.546 57.706 58.200 0.087 0.000 1.057 805 S CB 1.776 65.071 63.200 0.158 0.000 1.031 805 S HN 0.232 nan 8.310 nan 0.000 0.485 806 S N 2.147 117.859 115.700 0.019 0.000 2.508 806 S HA 0.615 5.084 4.470 -0.002 0.000 0.284 806 S C -0.456 174.097 174.600 -0.077 0.000 1.192 806 S CA -0.546 57.640 58.200 -0.024 0.000 1.070 806 S CB 0.510 63.693 63.200 -0.028 0.000 1.004 806 S HN 0.760 nan 8.310 nan 0.000 0.493 807 S N 4.571 120.214 115.700 -0.096 0.000 2.474 807 S HA 0.571 5.040 4.470 -0.002 0.000 0.321 807 S C -0.558 173.810 174.600 -0.387 0.000 1.080 807 S CA -0.800 57.265 58.200 -0.225 0.000 1.106 807 S CB 0.785 64.026 63.200 0.067 0.000 0.984 807 S HN 0.704 nan 8.310 nan 0.000 0.464 808 R N 1.296 121.364 120.500 -0.720 0.000 2.673 808 R HA 0.337 4.676 4.340 -0.002 0.000 0.281 808 R C -1.563 174.269 176.300 -0.779 0.000 0.991 808 R CA -0.630 55.153 56.100 -0.529 0.000 0.896 808 R CB 1.698 31.829 30.300 -0.281 0.000 1.201 808 R HN 0.517 nan 8.270 nan 0.000 0.457 809 W N 1.708 122.757 121.300 -0.418 0.000 2.315 809 W HA 0.302 4.962 4.660 -0.001 0.000 0.316 809 W C 0.458 176.823 176.519 -0.257 0.000 1.211 809 W CA 0.347 57.515 57.345 -0.294 0.000 1.201 809 W CB 1.094 30.468 29.460 -0.143 0.000 1.184 809 W HN 0.403 nan 8.180 nan 0.000 0.544 810 E N 2.110 122.337 120.200 0.046 0.000 2.372 810 E HA 0.232 4.581 4.350 -0.002 0.000 0.279 810 E C -1.634 174.966 176.600 0.000 0.000 0.946 810 E CA -0.872 55.513 56.400 -0.025 0.000 0.769 810 E CB 1.415 31.094 29.700 -0.036 0.000 1.230 810 E HN 0.389 nan 8.360 nan 0.000 0.442 811 Y N 0.470 120.834 120.300 0.107 0.000 2.326 811 Y HA 0.565 5.114 4.550 -0.002 0.000 0.333 811 Y C 0.910 176.867 175.900 0.095 0.000 1.240 811 Y CA 0.612 58.773 58.100 0.101 0.000 1.365 811 Y CB 1.793 40.292 38.460 0.066 0.000 1.289 811 Y HN 0.563 nan 8.280 nan 0.000 0.548 812 G N 0.701 109.698 108.800 0.329 0.000 2.655 812 G HA2 0.281 4.240 3.960 -0.002 0.000 0.296 812 G HA3 0.281 4.240 3.960 -0.002 0.000 0.296 812 G C -1.747 173.284 174.900 0.219 0.000 1.485 812 G CA -0.886 44.354 45.100 0.233 0.000 0.869 812 G HN 0.516 nan 8.290 nan 0.000 0.540 813 S N 0.851 116.682 115.700 0.219 0.000 2.548 813 S HA 0.565 5.035 4.470 -0.002 0.000 0.277 813 S C -1.131 173.528 174.600 0.098 0.000 1.315 813 S CA -1.137 57.168 58.200 0.176 0.000 1.050 813 S CB 1.294 64.600 63.200 0.176 0.000 0.918 813 S HN 0.385 nan 8.310 nan 0.000 0.497 814 P HA 0.216 nan 4.420 nan 0.000 0.261 814 P C -0.175 177.152 177.300 0.045 0.000 1.268 814 P CA 0.125 63.267 63.100 0.069 0.000 0.833 814 P CB 0.164 31.912 31.700 0.080 0.000 1.231 815 R N 0.880 121.401 120.500 0.034 0.000 2.772 815 R HA 0.346 4.685 4.340 -0.002 0.000 0.288 815 R C -1.821 174.474 176.300 -0.008 0.000 1.365 815 R CA -0.391 55.721 56.100 0.020 0.000 1.023 815 R CB 0.314 30.635 30.300 0.036 0.000 1.261 815 R HN 0.054 nan 8.270 nan 0.000 0.422 816 L N 4.084 125.285 121.223 -0.036 0.000 2.295 816 L HA 0.430 4.769 4.340 -0.002 0.000 0.281 816 L C -0.005 176.844 176.870 -0.035 0.000 1.018 816 L CA -0.758 54.031 54.840 -0.085 0.000 0.841 816 L CB 1.712 43.682 42.059 -0.148 0.000 1.218 816 L HN 0.403 nan 8.230 nan 0.000 0.424 817 E N 3.421 123.611 120.200 -0.016 0.000 2.349 817 E HA 0.535 4.884 4.350 -0.002 0.000 0.265 817 E C -0.720 175.893 176.600 0.021 0.000 1.064 817 E CA -0.458 55.952 56.400 0.016 0.000 0.886 817 E CB 0.979 30.696 29.700 0.027 0.000 1.036 817 E HN 0.359 nan 8.360 nan 0.000 0.413 818 R N 1.664 122.194 120.500 0.049 0.000 2.621 818 R HA 0.370 4.709 4.340 -0.002 0.000 0.284 818 R C -1.465 174.909 176.300 0.124 0.000 0.998 818 R CA -0.938 55.199 56.100 0.061 0.000 0.895 818 R CB 1.471 31.787 30.300 0.027 0.000 1.195 818 R HN 0.529 nan 8.270 nan 0.000 0.450 819 Y N 2.812 123.093 120.300 -0.032 0.000 2.326 819 Y HA 0.216 4.766 4.550 -0.001 0.000 0.331 819 Y C -0.068 175.816 175.900 -0.027 0.000 0.962 819 Y CA -0.712 57.367 58.100 -0.034 0.000 1.167 819 Y CB 0.966 39.381 38.460 -0.075 0.000 1.148 819 Y HN 0.762 nan 8.280 nan 0.000 0.463 820 N N 4.419 122.927 118.700 -0.320 0.000 2.740 820 N HA -0.227 4.512 4.740 -0.002 0.000 0.248 820 N C 0.827 176.276 175.510 -0.102 0.000 1.062 820 N CA 0.943 53.847 53.050 -0.243 0.000 0.704 820 N CB -0.998 37.325 38.487 -0.273 0.000 0.968 820 N HN 1.239 nan 8.380 nan 0.000 0.547 821 G N -0.986 107.773 108.800 -0.067 0.000 2.179 821 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.260 821 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.260 821 G C 0.014 174.905 174.900 -0.015 0.000 0.977 821 G CA 0.727 45.806 45.100 -0.036 0.000 0.641 821 G HN 0.386 nan 8.290 nan 0.000 0.533 822 L N 0.769 121.991 121.223 -0.002 0.000 2.346 822 L HA 0.537 4.876 4.340 -0.002 0.000 0.274 822 L C -2.259 174.628 176.870 0.028 0.000 1.007 822 L CA -2.634 52.214 54.840 0.012 0.000 0.818 822 L CB 2.142 44.209 42.059 0.014 0.000 1.284 822 L HN -0.199 nan 8.230 nan 0.000 0.424 823 P HA 0.090 nan 4.420 nan 0.000 0.268 823 P C -0.942 176.376 177.300 0.029 0.000 1.204 823 P CA -0.036 63.076 63.100 0.020 0.000 0.768 823 P CB 0.889 32.601 31.700 0.019 0.000 0.842 824 S N 2.359 118.075 115.700 0.027 0.000 2.596 824 S HA 0.796 5.265 4.470 -0.002 0.000 0.270 824 S C -1.092 173.509 174.600 0.003 0.000 1.155 824 S CA -0.916 57.290 58.200 0.009 0.000 0.827 824 S CB 1.257 64.463 63.200 0.010 0.000 1.130 824 S HN 0.209 nan 8.310 nan 0.000 0.467 825 M N 1.525 121.112 119.600 -0.022 0.000 2.327 825 M HA 0.449 4.928 4.480 -0.002 0.000 0.298 825 M C -0.763 175.509 176.300 -0.047 0.000 1.065 825 M CA -0.276 55.021 55.300 -0.004 0.000 0.916 825 M CB 2.351 34.975 32.600 0.040 0.000 1.630 825 M HN 0.886 nan 8.290 nan 0.000 0.442 826 E N 2.941 123.122 120.200 -0.032 0.000 2.259 826 E HA 0.413 4.762 4.350 -0.002 0.000 0.281 826 E C -1.523 175.088 176.600 0.018 0.000 1.037 826 E CA -0.383 55.989 56.400 -0.048 0.000 0.854 826 E CB 0.844 30.523 29.700 -0.035 0.000 1.051 826 E HN 0.470 nan 8.360 nan 0.000 0.409 827 I N 5.127 125.740 120.570 0.071 0.000 2.404 827 I HA 0.284 4.453 4.170 -0.002 0.000 0.293 827 I C -0.550 175.644 176.117 0.129 0.000 0.992 827 I CA -0.381 61.009 61.300 0.150 0.000 1.149 827 I CB 1.555 39.746 38.000 0.319 0.000 1.315 827 I HN 0.494 nan 8.210 nan 0.000 0.446 828 L N 5.972 127.188 121.223 -0.012 0.000 2.333 828 L HA 0.903 5.242 4.340 -0.002 0.000 0.280 828 L C -0.020 176.602 176.870 -0.413 0.000 1.004 828 L CA 0.110 54.845 54.840 -0.175 0.000 0.820 828 L CB 1.234 43.207 42.059 -0.144 0.000 1.247 828 L HN 0.756 nan 8.230 nan 0.000 0.416 829 G N 3.016 111.191 108.800 -1.041 0.000 2.975 829 G HA2 0.537 4.496 3.960 -0.002 0.000 0.291 829 G HA3 0.537 4.496 3.960 -0.002 0.000 0.291 829 G C -1.716 172.551 174.900 -1.056 0.000 1.334 829 G CA -0.331 44.037 45.100 -1.219 0.000 0.843 829 G HN 0.386 nan 8.290 nan 0.000 0.548 830 Q N -1.616 117.877 119.800 -0.511 0.000 2.552 830 Q HA 0.665 5.004 4.340 -0.002 0.000 0.289 830 Q C 0.869 176.960 176.000 0.152 0.000 1.097 830 Q CA -0.320 55.404 55.803 -0.133 0.000 0.812 830 Q CB 2.074 30.762 28.738 -0.083 0.000 1.460 830 Q HN 0.578 nan 8.270 nan 0.000 0.452 831 A N 0.357 123.241 122.820 0.107 0.000 1.859 831 A HA 0.615 4.934 4.320 -0.002 0.000 0.212 831 A C 0.148 177.772 177.584 0.066 0.000 1.238 831 A CA 1.339 53.442 52.037 0.110 0.000 0.613 831 A CB 0.026 19.060 19.000 0.056 0.000 0.904 831 A HN 0.939 nan 8.150 nan 0.000 0.457 832 A N -2.787 120.055 122.820 0.037 0.000 2.621 832 A HA 0.426 4.745 4.320 -0.002 0.000 0.308 832 A C -2.501 175.090 177.584 0.012 0.000 0.850 832 A CA 0.004 52.056 52.037 0.025 0.000 0.616 832 A CB -0.718 18.296 19.000 0.024 0.000 1.285 832 A HN 0.098 nan 8.150 nan 0.000 0.384 833 P HA 0.082 nan 4.420 nan 0.000 0.229 833 P C 1.219 178.518 177.300 -0.002 0.000 1.160 833 P CA 1.830 64.931 63.100 0.002 0.000 0.777 833 P CB 0.217 31.919 31.700 0.002 0.000 0.814 834 G N 0.143 108.943 108.800 0.001 0.000 2.808 834 G HA2 0.061 4.020 3.960 -0.002 0.000 0.210 834 G HA3 0.061 4.020 3.960 -0.002 0.000 0.210 834 G C 0.505 175.401 174.900 -0.007 0.000 1.177 834 G CA -0.097 45.001 45.100 -0.003 0.000 0.853 834 G HN 0.181 nan 8.290 nan 0.000 0.625 835 K N 0.714 121.112 120.400 -0.002 0.000 2.180 835 K HA 0.554 4.873 4.320 -0.002 0.000 0.251 835 K C -0.912 175.682 176.600 -0.010 0.000 1.014 835 K CA 0.229 56.510 56.287 -0.009 0.000 0.913 835 K CB 1.135 33.630 32.500 -0.009 0.000 1.008 835 K HN 0.104 nan 8.250 nan 0.000 0.490 836 S N 0.474 116.161 115.700 -0.021 0.000 2.668 836 S HA 0.197 4.666 4.470 -0.002 0.000 0.277 836 S C -0.009 174.565 174.600 -0.043 0.000 1.170 836 S CA -0.561 57.627 58.200 -0.020 0.000 0.994 836 S CB 1.654 64.843 63.200 -0.018 0.000 1.051 836 S HN 0.864 nan 8.310 nan 0.000 0.484 837 T N 2.466 116.994 114.554 -0.044 0.000 12.818 837 T HA -0.351 3.998 4.350 -0.002 0.000 0.419 837 T C 1.711 176.307 174.700 -0.173 0.000 1.441 837 T CA 2.198 64.234 62.100 -0.108 0.000 2.373 837 T CB -1.711 67.081 68.868 -0.125 0.000 2.831 837 T HN 0.932 nan 8.240 nan 0.000 0.727 838 G N 1.635 110.347 108.800 -0.146 0.000 2.553 838 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.218 838 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.218 838 G C 1.233 176.048 174.900 -0.141 0.000 1.195 838 G CA 2.000 47.012 45.100 -0.146 0.000 0.779 838 G HN 0.773 nan 8.290 nan 0.000 0.577 839 E N 0.729 120.866 120.200 -0.105 0.000 2.158 839 E HA 0.273 4.622 4.350 -0.002 0.000 0.191 839 E C 2.704 179.228 176.600 -0.126 0.000 0.982 839 E CA 0.790 57.131 56.400 -0.098 0.000 0.823 839 E CB -0.394 29.268 29.700 -0.064 0.000 0.766 839 E HN 0.390 nan 8.360 nan 0.000 0.468 840 A N 0.806 123.555 122.820 -0.118 0.000 1.940 840 A HA -0.188 4.131 4.320 -0.002 0.000 0.219 840 A C 2.145 179.573 177.584 -0.260 0.000 1.176 840 A CA 1.536 53.502 52.037 -0.118 0.000 0.631 840 A CB -0.440 18.554 19.000 -0.010 0.000 0.814 840 A HN 0.172 nan 8.150 nan 0.000 0.446 841 M N -1.755 117.645 119.600 -0.332 0.000 2.160 841 M HA -0.065 4.414 4.480 -0.002 0.000 0.264 841 M C 2.183 178.358 176.300 -0.209 0.000 1.073 841 M CA 1.663 56.695 55.300 -0.448 0.000 1.142 841 M CB -0.246 31.888 32.600 -0.778 0.000 1.358 841 M HN 0.456 nan 8.290 nan 0.000 0.422 842 E N 1.291 121.373 120.200 -0.196 0.000 2.085 842 E HA -0.223 4.126 4.350 -0.002 0.000 0.194 842 E C 1.819 178.328 176.600 -0.152 0.000 0.994 842 E CA 1.339 57.657 56.400 -0.137 0.000 0.801 842 E CB -0.387 29.247 29.700 -0.111 0.000 0.743 842 E HN 0.472 nan 8.360 nan 0.000 0.453 843 L N -0.642 120.471 121.223 -0.182 0.000 2.017 843 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 843 L C 2.373 179.083 176.870 -0.267 0.000 1.073 843 L CA 1.867 56.570 54.840 -0.229 0.000 0.745 843 L CB -0.260 41.643 42.059 -0.260 0.000 0.894 843 L HN 0.271 nan 8.230 nan 0.000 0.432 844 M N -0.181 119.243 119.600 -0.294 0.000 2.374 844 M HA -0.177 4.302 4.480 -0.002 0.000 0.264 844 M C 1.937 177.962 176.300 -0.458 0.000 1.067 844 M CA 1.612 56.647 55.300 -0.442 0.000 1.103 844 M CB -0.243 32.008 32.600 -0.582 0.000 1.402 844 M HN 0.294 nan 8.290 nan 0.000 0.444 845 E N -0.627 119.406 120.200 -0.279 0.000 2.107 845 E HA -0.207 4.142 4.350 -0.002 0.000 0.191 845 E C 1.641 177.997 176.600 -0.406 0.000 0.982 845 E CA 1.361 57.480 56.400 -0.467 0.000 0.809 845 E CB 0.018 29.490 29.700 -0.380 0.000 0.756 845 E HN 0.687 nan 8.360 nan 0.000 0.459 846 Q N -0.164 119.497 119.800 -0.232 0.000 2.356 846 Q HA 0.105 4.444 4.340 -0.002 0.000 0.205 846 Q C 1.717 177.646 176.000 -0.119 0.000 0.901 846 Q CA 0.193 55.918 55.803 -0.130 0.000 0.938 846 Q CB 0.112 28.802 28.738 -0.080 0.000 1.081 846 Q HN 0.097 nan 8.270 nan 0.000 0.517 847 L N 0.252 121.366 121.223 -0.182 0.000 2.291 847 L HA 0.126 4.465 4.340 -0.002 0.000 0.214 847 L C 1.838 178.623 176.870 -0.141 0.000 1.120 847 L CA 1.579 56.320 54.840 -0.165 0.000 0.799 847 L CB -0.851 41.073 42.059 -0.224 0.000 0.925 847 L HN 0.447 nan 8.230 nan 0.000 0.446 848 A N -1.843 120.881 122.820 -0.160 0.000 2.044 848 A HA -0.063 4.256 4.320 -0.002 0.000 0.213 848 A C 2.420 180.041 177.584 0.063 0.000 1.169 848 A CA 1.027 53.045 52.037 -0.031 0.000 0.724 848 A CB -0.158 18.884 19.000 0.070 0.000 0.840 848 A HN 0.292 nan 8.150 nan 0.000 0.463 849 S N -0.471 115.252 115.700 0.039 0.000 2.522 849 S HA 0.010 4.479 4.470 -0.002 0.000 0.227 849 S C 1.314 175.944 174.600 0.050 0.000 0.986 849 S CA 0.721 58.976 58.200 0.093 0.000 0.929 849 S CB -0.279 62.978 63.200 0.095 0.000 0.769 849 S HN 0.523 nan 8.310 nan 0.000 0.529 850 K N 0.961 121.371 120.400 0.018 0.000 2.500 850 K HA 0.301 4.620 4.320 -0.002 0.000 0.206 850 K C -0.295 176.314 176.600 0.014 0.000 1.034 850 K CA -0.096 56.199 56.287 0.013 0.000 1.179 850 K CB 0.244 32.743 32.500 -0.001 0.000 0.884 850 K HN 0.363 nan 8.250 nan 0.000 0.493 851 L N 0.708 121.946 121.223 0.026 0.000 2.376 851 L HA 0.406 4.746 4.340 -0.002 0.000 0.267 851 L C -1.916 174.971 176.870 0.028 0.000 1.035 851 L CA -2.394 52.462 54.840 0.026 0.000 0.800 851 L CB 0.170 42.250 42.059 0.035 0.000 1.290 851 L HN -0.091 nan 8.230 nan 0.000 0.462 852 P HA 0.001 nan 4.420 nan 0.000 0.271 852 P C -0.768 176.547 177.300 0.024 0.000 1.233 852 P CA -0.263 62.849 63.100 0.020 0.000 0.795 852 P CB 0.092 31.801 31.700 0.015 0.000 0.936 853 T N -2.596 111.969 114.554 0.019 0.000 2.919 853 T HA 0.423 4.772 4.350 -0.002 0.000 0.302 853 T C 0.933 175.643 174.700 0.015 0.000 1.031 853 T CA 0.006 62.117 62.100 0.018 0.000 1.127 853 T CB 0.167 69.043 68.868 0.014 0.000 0.952 853 T HN 0.889 nan 8.240 nan 0.000 0.540 854 G N 1.218 110.026 108.800 0.013 0.000 2.256 854 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.272 854 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.272 854 G C 0.261 175.167 174.900 0.010 0.000 1.076 854 G CA -0.063 45.041 45.100 0.007 0.000 0.882 854 G HN 0.997 nan 8.290 nan 0.000 0.497 855 V N -0.048 119.877 119.914 0.017 0.000 3.556 855 V HA 0.433 4.552 4.120 -0.002 0.000 0.287 855 V C 2.023 178.132 176.094 0.025 0.000 1.422 855 V CA 0.527 62.843 62.300 0.028 0.000 1.038 855 V CB 0.250 32.099 31.823 0.045 0.000 0.850 855 V HN 1.538 nan 8.190 nan 0.000 0.437 856 G N 1.921 110.722 108.800 0.003 0.000 2.945 856 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.304 856 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.304 856 G C -0.174 174.666 174.900 -0.100 0.000 0.260 856 G CA 0.938 45.998 45.100 -0.067 0.000 1.210 856 G HN 0.727 nan 8.290 nan 0.000 0.218 857 Y N 0.524 120.768 120.300 -0.093 0.000 2.316 857 Y HA 0.747 5.296 4.550 -0.001 0.000 0.324 857 Y C 0.231 175.905 175.900 -0.377 0.000 1.267 857 Y CA -1.389 56.543 58.100 -0.279 0.000 1.311 857 Y CB 1.458 39.864 38.460 -0.090 0.000 1.267 857 Y HN 0.539 nan 8.280 nan 0.000 0.516 858 D N 0.352 120.421 120.400 -0.552 0.000 2.623 858 D HA 0.393 5.032 4.640 -0.002 0.000 0.241 858 D C -2.080 173.792 176.300 -0.714 0.000 1.241 858 D CA -0.511 53.228 54.000 -0.435 0.000 0.788 858 D CB 1.256 41.894 40.800 -0.270 0.000 1.413 858 D HN 0.619 nan 8.370 nan 0.000 0.429 859 W N 0.736 121.934 121.300 -0.169 0.000 2.706 859 W HA 0.567 5.226 4.660 -0.002 0.000 0.346 859 W C 0.412 176.815 176.519 -0.195 0.000 1.071 859 W CA -0.363 56.894 57.345 -0.146 0.000 1.206 859 W CB 2.136 31.614 29.460 0.031 0.000 1.413 859 W HN 0.263 nan 8.180 nan 0.000 0.542 860 T N -0.534 114.051 114.554 0.052 0.000 2.206 860 T HA 0.222 4.571 4.350 -0.002 0.000 0.168 860 T C 1.445 176.120 174.700 -0.042 0.000 0.753 860 T CA 0.327 62.303 62.100 -0.206 0.000 1.041 860 T CB -0.750 67.894 68.868 -0.373 0.000 2.919 860 T HN 0.523 nan 8.240 nan 0.000 0.392 861 G N 2.219 111.018 108.800 -0.002 0.000 2.464 861 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.214 861 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.214 861 G C 1.658 176.620 174.900 0.103 0.000 1.218 861 G CA 1.402 46.557 45.100 0.091 0.000 0.794 861 G HN 0.498 nan 8.290 nan 0.000 0.542 862 M N 1.637 121.285 119.600 0.081 0.000 2.374 862 M HA 0.103 4.582 4.480 -0.002 0.000 0.264 862 M C 1.253 177.582 176.300 0.049 0.000 1.067 862 M CA 1.368 56.691 55.300 0.039 0.000 1.103 862 M CB -1.161 31.460 32.600 0.035 0.000 1.402 862 M HN 0.028 nan 8.290 nan 0.000 0.444 863 S N 1.969 117.748 115.700 0.132 0.000 3.054 863 S HA 0.100 4.569 4.470 -0.002 0.000 0.243 863 S C 0.416 175.341 174.600 0.541 0.000 1.013 863 S CA 0.291 58.585 58.200 0.158 0.000 1.119 863 S CB -1.735 61.640 63.200 0.293 0.000 0.838 863 S HN 0.764 nan 8.310 nan 0.000 0.505 864 Y N -1.661 118.665 120.300 0.043 0.000 2.847 864 Y HA -0.379 4.170 4.550 -0.001 0.000 0.469 864 Y C -0.270 175.695 175.900 0.107 0.000 1.185 864 Y CA 0.071 58.212 58.100 0.069 0.000 2.602 864 Y CB -1.506 36.999 38.460 0.074 0.000 1.192 864 Y HN 0.269 nan 8.280 nan 0.000 0.620 865 Q N 3.437 123.345 119.800 0.180 0.000 2.314 865 Q HA 0.422 4.761 4.340 -0.002 0.000 0.259 865 Q C -0.892 174.882 176.000 -0.376 0.000 0.951 865 Q CA -0.279 55.479 55.803 -0.075 0.000 0.909 865 Q CB 1.753 30.506 28.738 0.025 0.000 1.236 865 Q HN 0.307 nan 8.270 nan 0.000 0.444 866 E N 2.155 121.642 120.200 -1.189 0.000 3.783 866 E HA -0.252 4.098 4.350 -0.002 0.000 0.154 866 E C -0.981 175.571 176.600 -0.079 0.000 1.748 866 E CA 1.227 57.243 56.400 -0.639 0.000 0.854 866 E CB -0.482 29.012 29.700 -0.344 0.000 1.075 866 E HN 0.879 nan 8.360 nan 0.000 0.360 867 R N 1.893 122.520 120.500 0.213 0.000 2.949 867 R HA 0.668 5.007 4.340 -0.002 0.000 0.092 867 R C 0.156 176.671 176.300 0.357 0.000 0.509 867 R CA -0.222 56.062 56.100 0.307 0.000 0.303 867 R CB 0.223 30.732 30.300 0.349 0.000 0.347 867 R HN 0.310 nan 8.270 nan 0.000 0.316 868 L N -0.578 120.909 121.223 0.441 0.000 7.336 868 L HA -0.320 4.019 4.340 -0.002 0.000 0.172 868 L C 1.089 178.039 176.870 0.135 0.000 1.169 868 L CA 0.826 55.874 54.840 0.346 0.000 1.369 868 L CB -1.209 41.025 42.059 0.291 0.000 2.701 868 L HN 0.839 nan 8.230 nan 0.000 1.115 869 S N -0.897 114.821 115.700 0.031 0.000 2.441 869 S HA 0.158 4.627 4.470 -0.002 0.000 0.224 869 S C 0.709 175.324 174.600 0.025 0.000 1.043 869 S CA 0.665 58.864 58.200 -0.002 0.000 0.948 869 S CB -0.139 63.051 63.200 -0.017 0.000 0.810 869 S HN 0.860 nan 8.310 nan 0.000 0.504 870 G N 0.959 109.792 108.800 0.054 0.000 2.442 870 G HA2 0.318 4.277 3.960 -0.002 0.000 0.249 870 G HA3 0.318 4.277 3.960 -0.002 0.000 0.249 870 G C 0.131 175.086 174.900 0.090 0.000 1.263 870 G CA -0.254 44.884 45.100 0.063 0.000 0.846 870 G HN 0.464 nan 8.290 nan 0.000 0.555 871 N N -0.434 118.310 118.700 0.072 0.000 2.863 871 N HA -0.210 4.529 4.740 -0.002 0.000 0.245 871 N C 1.279 176.818 175.510 0.050 0.000 1.001 871 N CA 1.791 54.882 53.050 0.068 0.000 0.901 871 N CB -0.606 37.938 38.487 0.095 0.000 1.124 871 N HN 0.762 nan 8.380 nan 0.000 0.582 872 Q N -0.302 119.514 119.800 0.026 0.000 2.580 872 Q HA 0.457 4.796 4.340 -0.002 0.000 0.239 872 Q C 1.818 177.757 176.000 -0.103 0.000 0.873 872 Q CA 1.191 56.972 55.803 -0.036 0.000 0.951 872 Q CB -0.335 28.366 28.738 -0.062 0.000 1.172 872 Q HN 0.196 nan 8.270 nan 0.000 0.616 873 A N 1.324 124.104 122.820 -0.067 0.000 1.930 873 A HA 0.060 4.379 4.320 -0.002 0.000 0.217 873 A C -0.617 177.041 177.584 0.124 0.000 1.175 873 A CA 1.222 53.266 52.037 0.010 0.000 0.627 873 A CB -1.449 17.652 19.000 0.168 0.000 0.815 873 A HN 0.494 nan 8.150 nan 0.000 0.443 874 P HA 0.021 nan 4.420 nan 0.000 0.226 874 P C 1.051 178.389 177.300 0.063 0.000 1.153 874 P CA 1.274 64.431 63.100 0.094 0.000 0.777 874 P CB 0.211 31.950 31.700 0.063 0.000 0.794 875 S N -1.570 114.150 115.700 0.033 0.000 2.511 875 S HA 0.166 4.635 4.470 -0.002 0.000 0.214 875 S C 1.419 176.029 174.600 0.017 0.000 0.997 875 S CA -0.289 57.927 58.200 0.028 0.000 0.908 875 S CB -0.524 62.690 63.200 0.022 0.000 0.803 875 S HN 0.082 nan 8.310 nan 0.000 0.504 876 L N 0.224 121.408 121.223 -0.065 0.000 2.007 876 L HA 0.018 4.357 4.340 -0.002 0.000 0.205 876 L C 1.650 178.380 176.870 -0.234 0.000 1.073 876 L CA 1.598 56.305 54.840 -0.222 0.000 0.744 876 L CB -0.244 41.528 42.059 -0.478 0.000 0.898 876 L HN 0.279 nan 8.230 nan 0.000 0.435 877 Y N -0.382 119.891 120.300 -0.044 0.000 2.516 877 Y HA -0.009 4.540 4.550 -0.002 0.000 0.291 877 Y C 2.396 178.273 175.900 -0.039 0.000 1.131 877 Y CA 0.480 58.549 58.100 -0.053 0.000 1.281 877 Y CB -0.530 37.888 38.460 -0.070 0.000 1.013 877 Y HN 0.319 nan 8.280 nan 0.000 0.554 878 A N 0.612 123.490 122.820 0.098 0.000 1.845 878 A HA -0.159 4.160 4.320 -0.002 0.000 0.215 878 A C 1.832 179.439 177.584 0.040 0.000 1.195 878 A CA 1.853 53.922 52.037 0.053 0.000 0.616 878 A CB -0.867 18.155 19.000 0.038 0.000 0.832 878 A HN 0.394 nan 8.150 nan 0.000 0.443 879 I N 0.220 120.826 120.570 0.059 0.000 3.564 879 I HA -0.005 4.164 4.170 -0.002 0.000 0.294 879 I C 1.252 177.392 176.117 0.037 0.000 1.289 879 I CA 0.611 61.959 61.300 0.080 0.000 1.325 879 I CB 0.231 38.352 38.000 0.201 0.000 1.039 879 I HN 0.047 nan 8.210 nan 0.000 0.474 880 S N 0.233 115.937 115.700 0.006 0.000 2.660 880 S HA 0.248 4.717 4.470 -0.002 0.000 0.227 880 S C 1.257 175.856 174.600 -0.002 0.000 0.948 880 S CA 0.187 58.370 58.200 -0.028 0.000 0.948 880 S CB 0.128 63.292 63.200 -0.060 0.000 0.779 880 S HN 0.331 nan 8.310 nan 0.000 0.487 881 L N -0.201 121.028 121.223 0.009 0.000 2.860 881 L HA 0.383 4.722 4.340 -0.002 0.000 0.251 881 L C 1.166 178.042 176.870 0.010 0.000 1.041 881 L CA 0.540 55.382 54.840 0.002 0.000 0.985 881 L CB 0.087 42.143 42.059 -0.005 0.000 1.656 881 L HN 0.134 nan 8.230 nan 0.000 0.526 882 I N -0.258 120.316 120.570 0.007 0.000 2.493 882 I HA -0.094 4.075 4.170 -0.002 0.000 0.254 882 I C 2.110 178.268 176.117 0.067 0.000 1.160 882 I CA 1.176 62.485 61.300 0.016 0.000 1.445 882 I CB -0.897 37.104 38.000 0.003 0.000 1.086 882 I HN 0.091 nan 8.210 nan 0.000 0.433 883 V N -0.585 119.354 119.914 0.042 0.000 2.949 883 V HA 0.009 4.128 4.120 -0.002 0.000 0.245 883 V C 2.485 178.576 176.094 -0.005 0.000 1.086 883 V CA 0.438 62.752 62.300 0.025 0.000 1.097 883 V CB 0.069 31.893 31.823 0.002 0.000 0.762 883 V HN 0.094 nan 8.190 nan 0.000 0.470 884 V N 0.178 120.080 119.914 -0.020 0.000 2.332 884 V HA -0.279 3.840 4.120 -0.002 0.000 0.248 884 V C 2.203 178.276 176.094 -0.035 0.000 1.055 884 V CA 2.688 64.952 62.300 -0.060 0.000 1.038 884 V CB -0.593 31.188 31.823 -0.070 0.000 0.651 884 V HN 0.632 nan 8.190 nan 0.000 0.450 885 F N -0.766 119.108 119.950 -0.127 0.000 2.259 885 F HA -0.092 4.434 4.527 -0.001 0.000 0.298 885 F C 2.056 177.814 175.800 -0.071 0.000 1.088 885 F CA 1.308 59.228 58.000 -0.132 0.000 1.358 885 F CB -0.022 38.889 39.000 -0.149 0.000 1.040 885 F HN 0.017 nan 8.300 nan 0.000 0.505 886 L N 0.310 121.587 121.223 0.090 0.000 1.982 886 L HA -0.184 4.155 4.340 -0.002 0.000 0.206 886 L C 2.169 178.994 176.870 -0.075 0.000 1.078 886 L CA 1.935 56.806 54.840 0.052 0.000 0.749 886 L CB -1.365 40.755 42.059 0.102 0.000 0.894 886 L HN 0.235 nan 8.230 nan 0.000 0.436 887 C N 0.150 119.399 119.300 -0.085 0.000 2.511 887 C HA -0.019 4.440 4.460 -0.002 0.000 0.277 887 C C 2.424 177.287 174.990 -0.212 0.000 1.451 887 C CA -0.199 58.746 59.018 -0.122 0.000 1.735 887 C CB -1.433 26.242 27.740 -0.109 0.000 1.704 887 C HN 0.427 nan 8.230 nan 0.000 0.571 888 L N 0.517 121.587 121.223 -0.254 0.000 2.645 888 L HA 0.137 4.477 4.340 -0.002 0.000 0.235 888 L C 1.898 178.607 176.870 -0.269 0.000 1.150 888 L CA 0.301 54.932 54.840 -0.349 0.000 0.911 888 L CB -0.081 41.786 42.059 -0.319 0.000 1.077 888 L HN 0.356 nan 8.230 nan 0.000 0.438 889 A N -1.071 121.635 122.820 -0.188 0.000 2.456 889 A HA 0.468 4.787 4.320 -0.002 0.000 0.237 889 A C 1.034 178.601 177.584 -0.029 0.000 1.217 889 A CA 0.258 52.247 52.037 -0.079 0.000 0.962 889 A CB 0.148 19.094 19.000 -0.089 0.000 1.079 889 A HN 0.233 nan 8.150 nan 0.000 0.536 890 A N 0.080 122.857 122.820 -0.072 0.000 2.444 890 A HA 0.499 4.818 4.320 -0.002 0.000 0.273 890 A C 0.736 178.324 177.584 0.006 0.000 1.136 890 A CA 0.143 52.153 52.037 -0.045 0.000 0.799 890 A CB -0.706 18.250 19.000 -0.073 0.000 1.081 890 A HN 1.142 nan 8.150 nan 0.000 0.509 891 L N 1.019 122.272 121.223 0.050 0.000 4.625 891 L HA -0.281 4.058 4.340 -0.002 0.000 0.428 891 L C 0.502 177.518 176.870 0.244 0.000 1.129 891 L CA 1.564 56.468 54.840 0.107 0.000 0.978 891 L CB -2.468 39.649 42.059 0.097 0.000 2.043 891 L HN 0.867 nan 8.230 nan 0.000 0.847 892 Y N -2.083 118.158 120.300 -0.098 0.000 2.723 892 Y HA 0.163 4.712 4.550 -0.002 0.000 0.272 892 Y C 1.777 177.597 175.900 -0.133 0.000 1.142 892 Y CA 0.472 58.506 58.100 -0.110 0.000 1.217 892 Y CB 0.602 38.990 38.460 -0.120 0.000 1.391 892 Y HN 0.228 nan 8.280 nan 0.000 0.479 893 E N -1.015 119.185 120.200 0.000 0.000 3.696 893 E HA -0.209 4.140 4.350 -0.002 0.000 0.237 893 E C 0.543 176.991 176.600 -0.253 0.000 1.177 893 E CA 1.272 57.593 56.400 -0.131 0.000 2.065 893 E CB -1.916 27.693 29.700 -0.151 0.000 1.764 893 E HN 0.193 nan 8.360 nan 0.000 0.383 894 S N 0.484 116.007 115.700 -0.295 0.000 2.592 894 S HA 0.033 4.502 4.470 -0.002 0.000 0.256 894 S C 1.026 175.485 174.600 -0.235 0.000 1.369 894 S CA 0.403 58.330 58.200 -0.455 0.000 0.984 894 S CB -0.104 62.906 63.200 -0.317 0.000 0.919 894 S HN 0.382 nan 8.310 nan 0.000 0.576 895 W N 0.296 121.628 121.300 0.055 0.000 3.204 895 W HA 0.119 4.778 4.660 -0.001 0.000 0.249 895 W C 2.259 178.909 176.519 0.218 0.000 1.322 895 W CA -0.038 57.409 57.345 0.169 0.000 1.593 895 W CB -0.259 29.334 29.460 0.221 0.000 1.122 895 W HN 0.670 nan 8.180 nan 0.000 0.710 896 S N 1.810 117.638 115.700 0.214 0.000 2.310 896 S HA -0.148 4.321 4.470 -0.002 0.000 0.205 896 S C 2.100 176.815 174.600 0.191 0.000 1.020 896 S CA 1.200 59.479 58.200 0.132 0.000 0.939 896 S CB -0.619 62.531 63.200 -0.084 0.000 0.919 896 S HN 0.178 nan 8.310 nan 0.000 0.501 897 I N 2.008 122.630 120.570 0.086 0.000 2.236 897 I HA -0.040 4.129 4.170 -0.002 0.000 0.249 897 I C -1.206 174.967 176.117 0.093 0.000 1.102 897 I CA 1.392 62.760 61.300 0.113 0.000 1.365 897 I CB -3.199 34.906 38.000 0.176 0.000 1.051 897 I HN 0.316 nan 8.210 nan 0.000 0.420 898 P HA 0.019 nan 4.420 nan 0.000 0.263 898 P C 0.593 177.710 177.300 -0.306 0.000 1.386 898 P CA 0.748 63.701 63.100 -0.245 0.000 0.797 898 P CB -0.528 30.735 31.700 -0.729 0.000 1.381 899 F N -1.607 118.383 119.950 0.066 0.000 2.856 899 F HA 0.137 4.663 4.527 -0.002 0.000 0.338 899 F C 2.092 177.909 175.800 0.028 0.000 1.005 899 F CA 0.192 58.235 58.000 0.071 0.000 1.155 899 F CB -0.260 38.790 39.000 0.083 0.000 1.010 899 F HN -0.250 nan 8.300 nan 0.000 0.587 900 S N -0.022 115.786 115.700 0.181 0.000 2.595 900 S HA -0.005 4.464 4.470 -0.002 0.000 0.235 900 S C 1.458 176.091 174.600 0.056 0.000 0.974 900 S CA 1.059 59.321 58.200 0.102 0.000 0.942 900 S CB -0.020 63.234 63.200 0.090 0.000 0.766 900 S HN 0.187 nan 8.310 nan 0.000 0.536 901 V N -0.812 119.121 119.914 0.030 0.000 3.219 901 V HA 0.173 4.292 4.120 -0.002 0.000 0.214 901 V C 1.639 177.713 176.094 -0.033 0.000 1.433 901 V CA 0.409 62.700 62.300 -0.015 0.000 1.301 901 V CB -0.621 31.175 31.823 -0.044 0.000 1.160 901 V HN 0.353 nan 8.190 nan 0.000 0.505 902 M N 0.682 120.246 119.600 -0.059 0.000 2.146 902 M HA -0.158 4.321 4.480 -0.002 0.000 0.256 902 M C 1.418 177.711 176.300 -0.012 0.000 1.075 902 M CA 2.242 57.498 55.300 -0.075 0.000 1.082 902 M CB -0.383 32.111 32.600 -0.177 0.000 1.355 902 M HN 0.328 nan 8.290 nan 0.000 0.402 903 L N -0.334 120.916 121.223 0.046 0.000 2.741 903 L HA 0.134 4.473 4.340 -0.002 0.000 0.237 903 L C 1.351 178.290 176.870 0.114 0.000 1.178 903 L CA -0.409 54.505 54.840 0.122 0.000 0.973 903 L CB -0.149 42.015 42.059 0.175 0.000 1.255 903 L HN 0.319 nan 8.230 nan 0.000 0.498 904 V N -3.573 116.366 119.914 0.043 0.000 3.649 904 V HA -0.007 4.112 4.120 -0.002 0.000 0.275 904 V C 2.046 178.149 176.094 0.016 0.000 1.281 904 V CA 0.661 62.976 62.300 0.025 0.000 1.143 904 V CB -0.086 31.722 31.823 -0.025 0.000 0.892 904 V HN 0.253 nan 8.190 nan 0.000 0.441 905 V N -1.640 118.279 119.914 0.009 0.000 2.427 905 V HA 0.045 4.164 4.120 -0.002 0.000 0.248 905 V C 0.630 176.698 176.094 -0.044 0.000 1.051 905 V CA 1.858 64.139 62.300 -0.032 0.000 1.048 905 V CB -2.367 29.421 31.823 -0.059 0.000 0.666 905 V HN 0.577 nan 8.190 nan 0.000 0.456 906 P HA -0.022 nan 4.420 nan 0.000 0.225 906 P C 1.844 179.120 177.300 -0.040 0.000 1.156 906 P CA 0.816 63.874 63.100 -0.070 0.000 0.787 906 P CB 0.008 31.634 31.700 -0.123 0.000 0.802 907 L N 0.030 121.254 121.223 0.003 0.000 2.201 907 L HA 0.005 4.344 4.340 -0.002 0.000 0.212 907 L C 2.633 179.498 176.870 -0.008 0.000 1.105 907 L CA 1.874 56.715 54.840 0.002 0.000 0.775 907 L CB -1.799 40.265 42.059 0.008 0.000 0.913 907 L HN 0.026 nan 8.230 nan 0.000 0.440 908 G N -1.544 107.246 108.800 -0.016 0.000 2.425 908 G HA2 -0.099 3.860 3.960 -0.002 0.000 0.213 908 G HA3 -0.099 3.860 3.960 -0.002 0.000 0.213 908 G C 1.617 176.520 174.900 0.006 0.000 1.201 908 G CA 0.734 45.830 45.100 -0.007 0.000 0.799 908 G HN 0.194 nan 8.290 nan 0.000 0.534 909 V N 1.277 121.171 119.914 -0.033 0.000 2.282 909 V HA -0.221 3.898 4.120 -0.002 0.000 0.249 909 V C 2.653 178.764 176.094 0.028 0.000 1.057 909 V CA 1.738 64.015 62.300 -0.039 0.000 1.032 909 V CB -0.554 31.179 31.823 -0.151 0.000 0.645 909 V HN 0.365 nan 8.190 nan 0.000 0.447 910 I N 1.376 121.950 120.570 0.006 0.000 2.185 910 I HA -0.241 3.928 4.170 -0.002 0.000 0.246 910 I C 2.179 178.336 176.117 0.067 0.000 1.088 910 I CA 2.195 63.511 61.300 0.027 0.000 1.347 910 I CB -0.693 37.304 38.000 -0.006 0.000 1.041 910 I HN 0.269 nan 8.210 nan 0.000 0.415 911 G N -1.018 107.824 108.800 0.070 0.000 2.551 911 G HA2 0.015 3.974 3.960 -0.002 0.000 0.216 911 G HA3 0.015 3.974 3.960 -0.002 0.000 0.216 911 G C 1.661 176.647 174.900 0.143 0.000 1.137 911 G CA 0.494 45.646 45.100 0.087 0.000 0.798 911 G HN 0.584 nan 8.290 nan 0.000 0.536 912 A N 0.907 123.847 122.820 0.201 0.000 1.897 912 A HA 0.136 4.455 4.320 -0.002 0.000 0.215 912 A C 2.276 180.117 177.584 0.428 0.000 1.181 912 A CA 1.373 53.633 52.037 0.372 0.000 0.620 912 A CB -0.286 18.962 19.000 0.412 0.000 0.821 912 A HN 0.354 nan 8.150 nan 0.000 0.443 913 L N -1.468 119.978 121.223 0.370 0.000 2.240 913 L HA 0.056 4.395 4.340 -0.002 0.000 0.211 913 L C 2.150 179.117 176.870 0.162 0.000 1.106 913 L CA 0.508 55.523 54.840 0.292 0.000 0.793 913 L CB -0.812 41.425 42.059 0.296 0.000 0.927 913 L HN 0.162 nan 8.230 nan 0.000 0.446 914 L N 0.619 121.934 121.223 0.154 0.000 2.046 914 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 914 L C 2.712 179.664 176.870 0.136 0.000 1.077 914 L CA 1.940 56.862 54.840 0.136 0.000 0.747 914 L CB -0.887 41.217 42.059 0.075 0.000 0.896 914 L HN 0.292 nan 8.230 nan 0.000 0.432 915 A N -1.377 121.504 122.820 0.101 0.000 1.968 915 A HA 0.013 4.332 4.320 -0.002 0.000 0.217 915 A C 2.393 179.977 177.584 0.000 0.000 1.169 915 A CA 1.395 53.473 52.037 0.069 0.000 0.638 915 A CB -0.667 18.377 19.000 0.074 0.000 0.812 915 A HN 0.403 nan 8.150 nan 0.000 0.446 916 A N -0.920 121.849 122.820 -0.085 0.000 1.874 916 A HA 0.025 4.344 4.320 -0.002 0.000 0.214 916 A C 2.290 179.823 177.584 -0.085 0.000 1.189 916 A CA 2.011 53.915 52.037 -0.221 0.000 0.615 916 A CB -1.049 17.644 19.000 -0.510 0.000 0.830 916 A HN 0.388 nan 8.150 nan 0.000 0.443 917 T N -0.958 113.597 114.554 0.001 0.000 2.812 917 T HA -0.007 4.342 4.350 -0.002 0.000 0.264 917 T C 0.695 175.397 174.700 0.004 0.000 1.042 917 T CA 0.876 62.982 62.100 0.011 0.000 1.140 917 T CB -0.320 68.587 68.868 0.066 0.000 0.870 917 T HN 0.273 nan 8.240 nan 0.000 0.445 918 F N 1.886 121.828 119.950 -0.013 0.000 2.913 918 F HA 0.377 4.903 4.527 -0.001 0.000 0.306 918 F C 1.748 177.543 175.800 -0.008 0.000 1.205 918 F CA -0.210 57.789 58.000 -0.001 0.000 1.359 918 F CB 0.013 39.022 39.000 0.014 0.000 1.260 918 F HN -0.115 nan 8.300 nan 0.000 0.545 919 R N -1.246 119.280 120.500 0.042 0.000 2.834 919 R HA 0.176 4.515 4.340 -0.002 0.000 0.129 919 R C 1.359 177.646 176.300 -0.021 0.000 0.870 919 R CA 1.049 57.164 56.100 0.024 0.000 1.989 919 R CB 0.470 30.785 30.300 0.025 0.000 1.647 919 R HN 0.326 nan 8.270 nan 0.000 0.512 920 G N 1.229 110.000 108.800 -0.048 0.000 2.253 920 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.209 920 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.209 920 G C -0.237 174.632 174.900 -0.052 0.000 0.997 920 G CA 0.087 45.156 45.100 -0.052 0.000 0.640 920 G HN 0.038 nan 8.290 nan 0.000 0.496 921 L N 1.415 122.600 121.223 -0.064 0.000 2.473 921 L HA 0.657 4.996 4.340 -0.002 0.000 0.268 921 L C 1.016 177.810 176.870 -0.127 0.000 1.215 921 L CA 1.402 56.192 54.840 -0.084 0.000 0.823 921 L CB 1.272 43.264 42.059 -0.111 0.000 1.099 921 L HN 0.330 nan 8.230 nan 0.000 0.483 922 T N 1.196 115.691 114.554 -0.098 0.000 2.896 922 T HA 0.235 4.584 4.350 -0.002 0.000 0.297 922 T C -0.187 174.516 174.700 0.005 0.000 1.108 922 T CA -0.846 61.213 62.100 -0.069 0.000 1.004 922 T CB 0.865 69.722 68.868 -0.019 0.000 1.159 922 T HN 0.653 nan 8.240 nan 0.000 0.499 923 N N 2.934 121.698 118.700 0.107 0.000 2.543 923 N HA 0.034 4.773 4.740 -0.002 0.000 0.289 923 N C -0.437 175.225 175.510 0.253 0.000 1.223 923 N CA -0.104 53.170 53.050 0.374 0.000 1.080 923 N CB -0.002 38.675 38.487 0.317 0.000 1.450 923 N HN 0.623 nan 8.380 nan 0.000 0.501 924 D N 0.264 120.832 120.400 0.280 0.000 2.567 924 D HA 0.090 4.729 4.640 -0.002 0.000 0.275 924 D C 1.471 177.853 176.300 0.137 0.000 1.195 924 D CA -0.714 53.380 54.000 0.157 0.000 1.087 924 D CB 0.224 41.119 40.800 0.159 0.000 1.165 924 D HN -0.024 nan 8.370 nan 0.000 0.609 925 V N -1.171 118.703 119.914 -0.066 0.000 2.358 925 V HA -0.236 3.883 4.120 -0.002 0.000 0.246 925 V C 1.999 178.042 176.094 -0.085 0.000 1.047 925 V CA 1.464 63.645 62.300 -0.199 0.000 1.035 925 V CB -1.098 30.381 31.823 -0.574 0.000 0.658 925 V HN 0.492 nan 8.190 nan 0.000 0.452 926 Y N -1.491 118.909 120.300 0.166 0.000 2.352 926 Y HA -0.167 4.382 4.550 -0.002 0.000 0.292 926 Y C 2.242 178.318 175.900 0.294 0.000 1.136 926 Y CA 1.602 59.839 58.100 0.229 0.000 1.227 926 Y CB -0.352 38.260 38.460 0.254 0.000 0.991 926 Y HN 0.265 nan 8.280 nan 0.000 0.545 927 F N 0.875 120.982 119.950 0.262 0.000 2.367 927 F HA -0.066 4.460 4.527 -0.001 0.000 0.298 927 F C 2.175 178.106 175.800 0.218 0.000 1.094 927 F CA 0.884 59.014 58.000 0.217 0.000 1.409 927 F CB -0.429 38.684 39.000 0.187 0.000 1.064 927 F HN -0.036 nan 8.300 nan 0.000 0.528 928 Q N 0.081 119.971 119.800 0.150 0.000 2.020 928 Q HA -0.121 4.218 4.340 -0.002 0.000 0.202 928 Q C 2.135 178.200 176.000 0.108 0.000 0.982 928 Q CA 2.541 58.408 55.803 0.106 0.000 0.838 928 Q CB -0.425 28.466 28.738 0.256 0.000 0.899 928 Q HN 0.281 nan 8.270 nan 0.000 0.423 929 V N -0.330 119.679 119.914 0.157 0.000 2.667 929 V HA -0.071 4.048 4.120 -0.002 0.000 0.252 929 V C 2.075 178.269 176.094 0.167 0.000 1.065 929 V CA 1.520 63.920 62.300 0.166 0.000 1.083 929 V CB -1.059 30.865 31.823 0.167 0.000 0.692 929 V HN 0.537 nan 8.190 nan 0.000 0.468 930 G N 0.054 108.962 108.800 0.181 0.000 2.422 930 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.218 930 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.218 930 G C 1.586 176.553 174.900 0.112 0.000 1.146 930 G CA 0.661 45.877 45.100 0.193 0.000 0.769 930 G HN 0.475 nan 8.290 nan 0.000 0.547 931 L N -0.625 120.575 121.223 -0.039 0.000 2.217 931 L HA 0.118 4.457 4.340 -0.002 0.000 0.211 931 L C 2.647 179.538 176.870 0.034 0.000 1.107 931 L CA 0.215 54.998 54.840 -0.096 0.000 0.783 931 L CB -0.092 41.791 42.059 -0.292 0.000 0.919 931 L HN 0.156 nan 8.230 nan 0.000 0.442 932 L N -1.052 120.238 121.223 0.111 0.000 2.179 932 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 932 L C 2.698 179.724 176.870 0.261 0.000 1.096 932 L CA 1.683 56.631 54.840 0.180 0.000 0.779 932 L CB -0.490 41.705 42.059 0.226 0.000 0.922 932 L HN 0.390 nan 8.230 nan 0.000 0.443 933 T N -4.110 110.599 114.554 0.259 0.000 2.732 933 T HA -0.128 4.221 4.350 -0.002 0.000 0.261 933 T C 1.194 175.985 174.700 0.152 0.000 1.040 933 T CA 1.130 63.391 62.100 0.268 0.000 1.145 933 T CB -1.233 67.766 68.868 0.219 0.000 0.866 933 T HN 0.360 nan 8.240 nan 0.000 0.427 934 T N -0.071 114.552 114.554 0.116 0.000 4.219 934 T HA 0.561 4.910 4.350 -0.002 0.000 0.263 934 T C 0.364 175.068 174.700 0.006 0.000 1.217 934 T CA -0.393 61.730 62.100 0.038 0.000 1.145 934 T CB -0.248 68.668 68.868 0.081 0.000 1.298 934 T HN 0.360 nan 8.240 nan 0.000 0.999 935 I N -0.063 120.496 120.570 -0.018 0.000 5.393 935 I HA 0.249 4.418 4.170 -0.002 0.000 0.340 935 I C 1.892 177.958 176.117 -0.085 0.000 1.117 935 I CA 0.430 61.701 61.300 -0.048 0.000 1.603 935 I CB -0.220 37.758 38.000 -0.037 0.000 1.948 935 I HN 0.524 nan 8.210 nan 0.000 0.653 936 G N 1.081 109.827 108.800 -0.090 0.000 2.608 936 G HA2 0.040 3.999 3.960 -0.002 0.000 0.210 936 G HA3 0.040 3.999 3.960 -0.002 0.000 0.210 936 G C 1.341 176.189 174.900 -0.088 0.000 1.139 936 G CA 0.559 45.581 45.100 -0.129 0.000 0.812 936 G HN 0.255 nan 8.290 nan 0.000 0.529 937 L N 1.339 122.521 121.223 -0.068 0.000 2.093 937 L HA 0.020 4.359 4.340 -0.002 0.000 0.208 937 L C 2.132 178.902 176.870 -0.167 0.000 1.085 937 L CA 2.248 57.002 54.840 -0.144 0.000 0.755 937 L CB -0.993 40.917 42.059 -0.248 0.000 0.904 937 L HN 0.164 nan 8.230 nan 0.000 0.435 938 S N 0.784 116.403 115.700 -0.134 0.000 2.406 938 S HA 0.014 4.483 4.470 -0.002 0.000 0.228 938 S C 2.209 176.751 174.600 -0.097 0.000 1.020 938 S CA 0.996 59.128 58.200 -0.114 0.000 0.965 938 S CB -0.272 62.877 63.200 -0.085 0.000 0.798 938 S HN 0.687 nan 8.310 nan 0.000 0.488 939 A N 1.907 124.669 122.820 -0.097 0.000 1.877 939 A HA 0.153 4.472 4.320 -0.002 0.000 0.216 939 A C 2.267 179.796 177.584 -0.092 0.000 1.186 939 A CA 1.509 53.488 52.037 -0.096 0.000 0.620 939 A CB -1.117 17.813 19.000 -0.117 0.000 0.822 939 A HN 0.523 nan 8.150 nan 0.000 0.443 940 A N -0.499 122.262 122.820 -0.099 0.000 2.272 940 A HA -0.117 4.202 4.320 -0.002 0.000 0.213 940 A C 1.599 179.141 177.584 -0.071 0.000 1.183 940 A CA 1.554 53.537 52.037 -0.090 0.000 0.719 940 A CB -0.494 18.451 19.000 -0.091 0.000 0.771 940 A HN 0.586 nan 8.150 nan 0.000 0.484 941 N N -0.920 117.739 118.700 -0.068 0.000 2.564 941 N HA 0.149 4.888 4.740 -0.002 0.000 0.202 941 N C 1.857 177.356 175.510 -0.018 0.000 1.052 941 N CA 1.091 54.117 53.050 -0.040 0.000 0.872 941 N CB -0.459 37.990 38.487 -0.063 0.000 1.303 941 N HN 0.333 nan 8.380 nan 0.000 0.440 942 A N 1.717 124.513 122.820 -0.040 0.000 1.840 942 A HA 0.066 4.385 4.320 -0.002 0.000 0.214 942 A C 2.103 179.690 177.584 0.006 0.000 1.198 942 A CA 0.725 52.743 52.037 -0.032 0.000 0.608 942 A CB -0.830 18.140 19.000 -0.051 0.000 0.839 942 A HN 0.211 nan 8.150 nan 0.000 0.443 943 I N -0.297 120.268 120.570 -0.009 0.000 2.657 943 I HA -0.169 4.000 4.170 -0.002 0.000 0.261 943 I C 2.067 178.209 176.117 0.042 0.000 1.212 943 I CA 0.701 62.016 61.300 0.025 0.000 1.453 943 I CB 0.081 38.029 38.000 -0.086 0.000 1.092 943 I HN 0.344 nan 8.210 nan 0.000 0.452 944 L N 0.816 122.037 121.223 -0.004 0.000 2.127 944 L HA -0.094 4.245 4.340 -0.002 0.000 0.203 944 L C 2.372 179.248 176.870 0.010 0.000 1.080 944 L CA 1.712 56.522 54.840 -0.050 0.000 0.768 944 L CB -0.388 41.658 42.059 -0.022 0.000 0.924 944 L HN 0.334 nan 8.230 nan 0.000 0.444 945 I N -2.991 117.665 120.570 0.143 0.000 2.617 945 I HA -0.057 4.112 4.170 -0.002 0.000 0.256 945 I C 2.142 178.380 176.117 0.200 0.000 1.167 945 I CA 0.899 62.362 61.300 0.271 0.000 1.469 945 I CB -0.986 37.155 38.000 0.235 0.000 1.098 945 I HN -0.140 nan 8.210 nan 0.000 0.436 946 V N 1.222 121.206 119.914 0.117 0.000 2.427 946 V HA -0.213 3.906 4.120 -0.002 0.000 0.248 946 V C 2.715 178.816 176.094 0.011 0.000 1.051 946 V CA 2.093 64.443 62.300 0.083 0.000 1.048 946 V CB -0.823 31.061 31.823 0.102 0.000 0.666 946 V HN 0.509 nan 8.190 nan 0.000 0.456 947 E N 0.586 120.792 120.200 0.011 0.000 2.023 947 E HA -0.219 4.130 4.350 -0.002 0.000 0.196 947 E C 1.947 178.497 176.600 -0.084 0.000 1.003 947 E CA 1.882 58.221 56.400 -0.102 0.000 0.809 947 E CB -0.475 29.142 29.700 -0.138 0.000 0.755 947 E HN 0.577 nan 8.360 nan 0.000 0.449 948 F N 0.058 120.024 119.950 0.027 0.000 2.202 948 F HA -0.212 4.314 4.527 -0.002 0.000 0.301 948 F C 2.256 178.068 175.800 0.020 0.000 1.082 948 F CA 0.615 58.631 58.000 0.027 0.000 1.313 948 F CB -0.185 38.844 39.000 0.047 0.000 1.024 948 F HN 0.179 nan 8.300 nan 0.000 0.495 949 A N 0.949 123.889 122.820 0.201 0.000 1.854 949 A HA -0.197 4.123 4.320 -0.002 0.000 0.214 949 A C 1.975 179.594 177.584 0.059 0.000 1.192 949 A CA 1.716 53.830 52.037 0.128 0.000 0.611 949 A CB -0.554 18.524 19.000 0.131 0.000 0.832 949 A HN 0.383 nan 8.150 nan 0.000 0.442 950 K N -0.335 120.059 120.400 -0.011 0.000 2.486 950 K HA 0.025 4.344 4.320 -0.002 0.000 0.194 950 K C 0.328 176.891 176.600 -0.061 0.000 1.033 950 K CA 1.486 57.733 56.287 -0.066 0.000 1.004 950 K CB -0.044 32.346 32.500 -0.184 0.000 0.798 950 K HN 0.249 nan 8.250 nan 0.000 0.495 951 D N 0.222 120.607 120.400 -0.025 0.000 2.327 951 D HA 0.020 4.659 4.640 -0.002 0.000 0.205 951 D C 1.391 177.713 176.300 0.037 0.000 0.989 951 D CA 0.326 54.326 54.000 -0.001 0.000 0.873 951 D CB 0.191 40.999 40.800 0.013 0.000 0.955 951 D HN 0.102 nan 8.370 nan 0.000 0.515 952 L N -0.059 121.199 121.223 0.058 0.000 2.240 952 L HA 0.151 4.491 4.340 -0.002 0.000 0.211 952 L C 1.030 177.916 176.870 0.027 0.000 1.106 952 L CA 0.820 55.689 54.840 0.049 0.000 0.793 952 L CB -0.220 41.875 42.059 0.060 0.000 0.927 952 L HN 0.056 nan 8.230 nan 0.000 0.446 953 M N -1.651 117.963 119.600 0.024 0.000 2.705 953 M HA 0.120 4.599 4.480 -0.002 0.000 0.272 953 M C 1.253 177.554 176.300 0.002 0.000 1.172 953 M CA -0.093 55.218 55.300 0.018 0.000 0.901 953 M CB 0.955 33.579 32.600 0.040 0.000 1.516 953 M HN -0.064 nan 8.290 nan 0.000 0.530 954 D N 0.392 120.793 120.400 0.002 0.000 4.578 954 D HA -0.302 4.338 4.640 -0.002 0.000 0.244 954 D C 1.118 177.408 176.300 -0.016 0.000 0.702 954 D CA 2.842 56.834 54.000 -0.012 0.000 1.778 954 D CB -0.505 40.276 40.800 -0.032 0.000 1.050 954 D HN 0.662 nan 8.370 nan 0.000 0.397 955 K N 0.541 120.929 120.400 -0.020 0.000 2.148 955 K HA -0.021 4.298 4.320 -0.002 0.000 0.204 955 K C 1.636 178.233 176.600 -0.005 0.000 1.050 955 K CA 1.213 57.491 56.287 -0.015 0.000 0.942 955 K CB -0.018 32.471 32.500 -0.018 0.000 0.724 955 K HN 0.460 nan 8.250 nan 0.000 0.446 956 E N -1.042 119.158 120.200 0.001 0.000 3.341 956 E HA 0.225 4.574 4.350 -0.002 0.000 0.310 956 E C -0.238 176.362 176.600 -0.001 0.000 0.616 956 E CA -0.421 55.982 56.400 0.004 0.000 2.067 956 E CB 0.887 30.595 29.700 0.013 0.000 2.001 956 E HN 0.121 nan 8.360 nan 0.000 0.503 957 G N 1.166 109.965 108.800 -0.001 0.000 4.160 957 G HA2 0.337 4.296 3.960 -0.002 0.000 0.341 957 G HA3 0.337 4.296 3.960 -0.002 0.000 0.341 957 G C -1.114 173.780 174.900 -0.010 0.000 1.510 957 G CA -0.103 44.993 45.100 -0.007 0.000 1.011 957 G HN 0.424 nan 8.290 nan 0.000 0.491 958 K N -0.363 120.031 120.400 -0.010 0.000 2.672 958 K HA 0.025 4.345 4.320 -0.002 0.000 0.595 958 K C 0.121 176.711 176.600 -0.016 0.000 2.575 958 K CA 1.030 57.307 56.287 -0.017 0.000 1.990 958 K CB -0.531 31.951 32.500 -0.031 0.000 2.751 958 K HN 1.732 nan 8.250 nan 0.000 0.150 959 G N 2.290 111.077 108.800 -0.023 0.000 3.250 959 G HA2 0.237 4.197 3.960 -0.002 0.000 0.235 959 G HA3 0.237 4.197 3.960 -0.002 0.000 0.235 959 G C -0.015 174.873 174.900 -0.020 0.000 3.899 959 G CA -0.136 44.950 45.100 -0.022 0.000 0.435 959 G HN 0.332 nan 8.290 nan 0.000 0.310 960 L N 0.202 121.384 121.223 -0.068 0.000 1.994 960 L HA 0.162 4.501 4.340 -0.002 0.000 0.208 960 L C 2.524 179.361 176.870 -0.055 0.000 1.071 960 L CA 2.190 56.970 54.840 -0.099 0.000 0.745 960 L CB -0.248 41.692 42.059 -0.198 0.000 0.892 960 L HN 0.625 nan 8.230 nan 0.000 0.431 961 I N -2.988 117.540 120.570 -0.070 0.000 4.338 961 I HA 0.038 4.207 4.170 -0.002 0.000 0.315 961 I C 1.117 177.188 176.117 -0.077 0.000 1.262 961 I CA 0.128 61.383 61.300 -0.075 0.000 1.298 961 I CB 0.227 38.173 38.000 -0.090 0.000 1.257 961 I HN 0.015 nan 8.210 nan 0.000 0.444 962 E N 1.583 121.744 120.200 -0.066 0.000 2.368 962 E HA 0.285 4.634 4.350 -0.002 0.000 0.188 962 E C 1.055 177.626 176.600 -0.047 0.000 1.061 962 E CA 0.215 56.578 56.400 -0.061 0.000 0.933 962 E CB 0.425 30.091 29.700 -0.056 0.000 1.091 962 E HN 0.478 nan 8.360 nan 0.000 0.458 963 A N -0.708 122.090 122.820 -0.037 0.000 2.480 963 A HA 0.073 4.392 4.320 -0.002 0.000 0.191 963 A C 1.819 179.401 177.584 -0.003 0.000 1.503 963 A CA -0.129 51.898 52.037 -0.018 0.000 1.110 963 A CB 0.155 19.152 19.000 -0.005 0.000 1.401 963 A HN 0.117 nan 8.150 nan 0.000 0.533 964 T N 1.034 115.583 114.554 -0.007 0.000 2.746 964 T HA -0.114 4.235 4.350 -0.002 0.000 0.267 964 T C 1.747 176.417 174.700 -0.050 0.000 1.039 964 T CA 1.773 63.881 62.100 0.013 0.000 1.142 964 T CB -0.280 68.596 68.868 0.014 0.000 0.866 964 T HN 0.207 nan 8.240 nan 0.000 0.444 965 L N 1.250 122.401 121.223 -0.120 0.000 2.017 965 L HA -0.063 4.276 4.340 -0.002 0.000 0.208 965 L C 2.297 179.111 176.870 -0.093 0.000 1.073 965 L CA 1.612 56.351 54.840 -0.169 0.000 0.745 965 L CB -0.623 41.334 42.059 -0.170 0.000 0.894 965 L HN 0.105 nan 8.230 nan 0.000 0.432 966 D N -0.744 119.622 120.400 -0.057 0.000 2.144 966 D HA -0.139 4.500 4.640 -0.002 0.000 0.199 966 D C 2.203 178.479 176.300 -0.039 0.000 0.984 966 D CA 1.322 55.298 54.000 -0.039 0.000 0.834 966 D CB -0.050 40.733 40.800 -0.028 0.000 0.955 966 D HN 0.337 nan 8.370 nan 0.000 0.465 967 A N 0.269 123.084 122.820 -0.008 0.000 1.855 967 A HA -0.107 4.213 4.320 -0.002 0.000 0.215 967 A C 2.042 179.627 177.584 0.002 0.000 1.191 967 A CA 0.920 52.964 52.037 0.011 0.000 0.613 967 A CB -0.615 18.460 19.000 0.124 0.000 0.829 967 A HN 0.181 nan 8.150 nan 0.000 0.442 968 V N 0.204 120.160 119.914 0.070 0.000 3.478 968 V HA 0.123 4.242 4.120 -0.002 0.000 0.323 968 V C 1.623 177.780 176.094 0.105 0.000 1.241 968 V CA 0.550 62.942 62.300 0.152 0.000 1.274 968 V CB -1.011 30.979 31.823 0.280 0.000 1.115 968 V HN 0.526 nan 8.190 nan 0.000 0.424 969 R N 0.867 121.377 120.500 0.016 0.000 2.373 969 R HA 0.233 4.572 4.340 -0.002 0.000 0.221 969 R C 0.263 176.548 176.300 -0.026 0.000 0.893 969 R CA 0.344 56.453 56.100 0.015 0.000 1.049 969 R CB 0.498 30.789 30.300 -0.015 0.000 1.119 969 R HN 0.640 nan 8.270 nan 0.000 0.535 970 M N 0.050 119.592 119.600 -0.096 0.000 2.850 970 M HA 0.385 4.864 4.480 -0.002 0.000 0.288 970 M C -0.097 176.043 176.300 -0.267 0.000 1.450 970 M CA -0.380 54.824 55.300 -0.159 0.000 0.555 970 M CB 1.449 33.951 32.600 -0.164 0.000 1.507 970 M HN -0.126 nan 8.290 nan 0.000 0.415 971 R N 1.475 121.889 120.500 -0.143 0.000 2.333 971 R HA 0.010 4.349 4.340 -0.002 0.000 0.082 971 R C 0.127 176.426 176.300 -0.001 0.000 0.528 971 R CA 0.328 56.372 56.100 -0.093 0.000 0.877 971 R CB -0.962 29.252 30.300 -0.143 0.000 1.050 971 R HN 0.606 nan 8.270 nan 0.000 0.526 972 L N -0.016 121.208 121.223 0.001 0.000 2.456 972 L HA 0.249 4.588 4.340 -0.002 0.000 0.224 972 L C 1.855 178.714 176.870 -0.018 0.000 1.148 972 L CA 0.936 55.767 54.840 -0.014 0.000 0.825 972 L CB -1.160 40.858 42.059 -0.069 0.000 0.937 972 L HN 0.041 nan 8.230 nan 0.000 0.450 973 R N 1.096 121.599 120.500 0.005 0.000 2.109 973 R HA -0.076 4.263 4.340 -0.002 0.000 0.227 973 R C 0.215 176.443 176.300 -0.120 0.000 1.132 973 R CA 1.801 57.917 56.100 0.026 0.000 0.907 973 R CB -1.934 28.410 30.300 0.073 0.000 0.825 973 R HN 0.361 nan 8.270 nan 0.000 0.432 974 P HA -0.168 nan 4.420 nan 0.000 0.211 974 P C 1.422 178.661 177.300 -0.103 0.000 1.181 974 P CA 1.307 64.363 63.100 -0.073 0.000 0.929 974 P CB -0.291 31.416 31.700 0.012 0.000 0.789 975 I N -1.703 118.836 120.570 -0.052 0.000 2.502 975 I HA -0.186 3.983 4.170 -0.002 0.000 0.258 975 I C 2.122 178.178 176.117 -0.102 0.000 1.172 975 I CA 1.439 62.706 61.300 -0.056 0.000 1.430 975 I CB -1.403 36.595 38.000 -0.005 0.000 1.086 975 I HN 0.072 nan 8.210 nan 0.000 0.440 976 L N 0.329 121.459 121.223 -0.154 0.000 2.349 976 L HA 0.055 4.394 4.340 -0.002 0.000 0.200 976 L C 2.411 179.079 176.870 -0.336 0.000 1.064 976 L CA 0.992 55.720 54.840 -0.187 0.000 0.821 976 L CB -0.336 41.654 42.059 -0.116 0.000 1.027 976 L HN 0.266 nan 8.230 nan 0.000 0.476 977 M N -2.635 116.605 119.600 -0.601 0.000 2.394 977 M HA -0.055 4.424 4.480 -0.002 0.000 0.264 977 M C 1.669 177.792 176.300 -0.295 0.000 1.073 977 M CA 1.423 56.304 55.300 -0.698 0.000 1.111 977 M CB -0.932 31.044 32.600 -1.040 0.000 1.401 977 M HN -0.095 nan 8.290 nan 0.000 0.448 978 T N 0.777 115.207 114.554 -0.206 0.000 2.684 978 T HA -0.145 4.204 4.350 -0.002 0.000 0.267 978 T C 2.059 176.728 174.700 -0.052 0.000 1.036 978 T CA 2.172 64.208 62.100 -0.106 0.000 1.148 978 T CB -0.280 68.524 68.868 -0.107 0.000 0.863 978 T HN 0.608 nan 8.240 nan 0.000 0.436 979 S N 0.298 115.953 115.700 -0.076 0.000 2.387 979 S HA 0.015 4.484 4.470 -0.002 0.000 0.226 979 S C 1.970 176.606 174.600 0.061 0.000 1.026 979 S CA 0.528 58.727 58.200 -0.002 0.000 0.972 979 S CB -0.380 62.797 63.200 -0.038 0.000 0.814 979 S HN 0.297 nan 8.310 nan 0.000 0.477 980 L N 1.638 122.845 121.223 -0.025 0.000 2.056 980 L HA 0.144 4.483 4.340 -0.002 0.000 0.207 980 L C 2.476 179.363 176.870 0.028 0.000 1.078 980 L CA 1.873 56.712 54.840 -0.002 0.000 0.749 980 L CB -0.813 41.215 42.059 -0.052 0.000 0.901 980 L HN 0.349 nan 8.230 nan 0.000 0.433 981 A N -1.794 121.036 122.820 0.017 0.000 2.066 981 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 981 A C 2.096 179.727 177.584 0.078 0.000 1.157 981 A CA 1.234 53.293 52.037 0.038 0.000 0.670 981 A CB -0.806 18.207 19.000 0.021 0.000 0.804 981 A HN 0.484 nan 8.150 nan 0.000 0.453 982 F N 0.583 120.509 119.950 -0.040 0.000 2.094 982 F HA -0.033 4.493 4.527 -0.002 0.000 0.291 982 F C 2.040 177.829 175.800 -0.019 0.000 1.109 982 F CA 1.097 59.079 58.000 -0.029 0.000 1.221 982 F CB -0.075 38.906 39.000 -0.030 0.000 1.014 982 F HN 0.088 nan 8.300 nan 0.000 0.473 983 I N 0.715 121.371 120.570 0.143 0.000 2.113 983 I HA -0.342 3.827 4.170 -0.002 0.000 0.242 983 I C 2.436 178.531 176.117 -0.036 0.000 1.064 983 I CA 1.801 63.132 61.300 0.052 0.000 1.320 983 I CB -1.586 36.460 38.000 0.078 0.000 1.028 983 I HN 0.241 nan 8.210 nan 0.000 0.406 984 L N 0.198 121.409 121.223 -0.021 0.000 2.291 984 L HA -0.061 4.278 4.340 -0.002 0.000 0.214 984 L C 2.538 179.363 176.870 -0.075 0.000 1.120 984 L CA 1.042 55.863 54.840 -0.032 0.000 0.799 984 L CB -0.840 41.218 42.059 -0.002 0.000 0.925 984 L HN 0.290 nan 8.230 nan 0.000 0.446 985 G N -0.715 108.009 108.800 -0.127 0.000 2.484 985 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.218 985 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.218 985 G C 1.313 176.072 174.900 -0.234 0.000 1.130 985 G CA 0.530 45.525 45.100 -0.176 0.000 0.784 985 G HN 0.257 nan 8.290 nan 0.000 0.543 986 V N 0.547 120.298 119.914 -0.271 0.000 3.647 986 V HA 0.174 4.293 4.120 -0.002 0.000 0.279 986 V C 2.385 178.401 176.094 -0.131 0.000 1.314 986 V CA 0.279 62.433 62.300 -0.243 0.000 1.125 986 V CB 0.041 31.683 31.823 -0.301 0.000 0.907 986 V HN 0.308 nan 8.190 nan 0.000 0.434 987 M N 0.656 120.196 119.600 -0.100 0.000 2.200 987 M HA -0.028 4.451 4.480 -0.002 0.000 0.265 987 M C -0.412 175.855 176.300 -0.055 0.000 1.066 987 M CA 1.916 57.181 55.300 -0.057 0.000 1.127 987 M CB -1.097 31.480 32.600 -0.038 0.000 1.379 987 M HN 0.290 nan 8.290 nan 0.000 0.420 988 P HA -0.040 nan 4.420 nan 0.000 0.230 988 P C 1.139 178.397 177.300 -0.070 0.000 1.158 988 P CA 0.995 64.054 63.100 -0.068 0.000 0.769 988 P CB -0.045 31.606 31.700 -0.082 0.000 0.807 989 L N -1.199 119.976 121.223 -0.079 0.000 2.221 989 L HA -0.035 4.305 4.340 -0.002 0.000 0.202 989 L C 2.449 179.299 176.870 -0.034 0.000 1.074 989 L CA 0.665 55.464 54.840 -0.069 0.000 0.795 989 L CB -1.127 40.868 42.059 -0.106 0.000 0.960 989 L HN -0.118 nan 8.230 nan 0.000 0.458 990 V N -0.843 119.054 119.914 -0.028 0.000 2.332 990 V HA -0.181 3.938 4.120 -0.002 0.000 0.248 990 V C 1.554 177.648 176.094 0.000 0.000 1.055 990 V CA 1.878 64.176 62.300 -0.005 0.000 1.038 990 V CB -0.608 31.216 31.823 0.002 0.000 0.651 990 V HN 0.491 nan 8.190 nan 0.000 0.450 991 I N -3.994 116.572 120.570 -0.007 0.000 2.674 991 I HA 0.557 4.726 4.170 -0.002 0.000 0.198 991 I C 1.725 177.834 176.117 -0.013 0.000 0.416 991 I CA 0.163 61.461 61.300 -0.003 0.000 3.214 991 I CB 0.308 38.311 38.000 0.005 0.000 1.506 991 I HN 0.086 nan 8.210 nan 0.000 0.537 992 S N 0.240 115.933 115.700 -0.012 0.000 2.083 992 S HA -0.223 4.246 4.470 -0.002 0.000 0.220 992 S C 0.472 175.061 174.600 -0.018 0.000 1.119 992 S CA 2.153 60.341 58.200 -0.019 0.000 1.692 992 S CB -1.726 61.454 63.200 -0.034 0.000 2.260 992 S HN 1.218 nan 8.310 nan 0.000 0.584 993 T N -1.201 113.342 114.554 -0.018 0.000 2.965 993 T HA 0.661 5.010 4.350 -0.002 0.000 0.306 993 T C 0.284 174.985 174.700 0.001 0.000 0.991 993 T CA 0.010 62.100 62.100 -0.016 0.000 1.001 993 T CB 1.423 70.263 68.868 -0.047 0.000 0.984 993 T HN 0.681 nan 8.240 nan 0.000 0.446 994 G N 0.637 109.451 108.800 0.023 0.000 3.337 994 G HA2 0.516 4.475 3.960 -0.002 0.000 0.246 994 G HA3 0.516 4.475 3.960 -0.002 0.000 0.246 994 G C 0.753 175.697 174.900 0.074 0.000 1.131 994 G CA 0.097 45.223 45.100 0.042 0.000 0.773 994 G HN 1.019 nan 8.290 nan 0.000 0.544 995 A N -0.631 122.229 122.820 0.068 0.000 1.895 995 A HA 0.493 4.812 4.320 -0.002 0.000 0.198 995 A C 2.236 179.796 177.584 -0.040 0.000 1.709 995 A CA 1.301 53.420 52.037 0.138 0.000 1.194 995 A CB -0.442 18.696 19.000 0.230 0.000 1.260 995 A HN 0.310 nan 8.150 nan 0.000 0.441 996 G N 0.526 109.249 108.800 -0.129 0.000 2.440 996 G HA2 0.181 4.140 3.960 -0.002 0.000 0.218 996 G HA3 0.181 4.140 3.960 -0.002 0.000 0.218 996 G C 0.729 175.467 174.900 -0.269 0.000 1.154 996 G CA 1.727 46.658 45.100 -0.281 0.000 0.767 996 G HN 1.536 nan 8.290 nan 0.000 0.552 997 S N -3.013 112.610 115.700 -0.128 0.000 2.543 997 S HA 0.525 4.994 4.470 -0.002 0.000 0.274 997 S C 0.258 174.845 174.600 -0.021 0.000 1.149 997 S CA 0.169 58.320 58.200 -0.083 0.000 0.866 997 S CB 1.442 64.583 63.200 -0.099 0.000 1.111 997 S HN 0.555 nan 8.310 nan 0.000 0.457 998 G N -0.052 108.750 108.800 0.003 0.000 3.088 998 G HA2 0.483 4.442 3.960 -0.002 0.000 0.217 998 G HA3 0.483 4.442 3.960 -0.002 0.000 0.217 998 G C 0.867 175.748 174.900 -0.031 0.000 1.159 998 G CA 0.331 45.441 45.100 0.017 0.000 0.760 998 G HN 1.139 nan 8.290 nan 0.000 0.550 999 A N 0.332 123.073 122.820 -0.132 0.000 1.924 999 A HA 0.170 4.489 4.320 -0.002 0.000 0.211 999 A C 2.118 179.635 177.584 -0.112 0.000 1.198 999 A CA 0.918 52.725 52.037 -0.383 0.000 0.657 999 A CB -0.097 18.402 19.000 -0.835 0.000 0.852 999 A HN 0.308 nan 8.150 nan 0.000 0.454 1000 Q N 0.304 120.160 119.800 0.094 0.000 2.124 1000 Q HA -0.148 4.191 4.340 -0.002 0.000 0.202 1000 Q C 1.637 177.665 176.000 0.046 0.000 0.977 1000 Q CA 1.452 57.348 55.803 0.155 0.000 0.850 1000 Q CB -0.171 28.616 28.738 0.082 0.000 0.901 1000 Q HN 0.594 nan 8.270 nan 0.000 0.429 1001 N N 0.610 119.325 118.700 0.024 0.000 2.142 1001 N HA -0.125 4.614 4.740 -0.002 0.000 0.186 1001 N C 1.639 177.175 175.510 0.044 0.000 1.023 1001 N CA 1.423 54.487 53.050 0.023 0.000 0.852 1001 N CB -0.294 38.204 38.487 0.019 0.000 0.998 1001 N HN 0.223 nan 8.380 nan 0.000 0.424 1002 A N 0.553 123.406 122.820 0.054 0.000 1.968 1002 A HA -0.012 4.307 4.320 -0.002 0.000 0.217 1002 A C 2.449 180.157 177.584 0.206 0.000 1.169 1002 A CA 0.918 53.026 52.037 0.117 0.000 0.638 1002 A CB -0.635 18.462 19.000 0.161 0.000 0.812 1002 A HN 0.142 nan 8.150 nan 0.000 0.446 1003 V N -0.601 119.417 119.914 0.173 0.000 2.488 1003 V HA -0.003 4.116 4.120 -0.002 0.000 0.246 1003 V C 2.385 178.565 176.094 0.143 0.000 1.046 1003 V CA 2.058 64.496 62.300 0.230 0.000 1.053 1003 V CB -0.294 31.650 31.823 0.202 0.000 0.679 1003 V HN 0.540 nan 8.190 nan 0.000 0.458 1004 G N -1.211 107.630 108.800 0.068 0.000 2.411 1004 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.213 1004 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.213 1004 G C 1.603 176.539 174.900 0.060 0.000 1.166 1004 G CA 1.136 46.249 45.100 0.021 0.000 0.802 1004 G HN 0.460 nan 8.290 nan 0.000 0.533 1005 T N 1.225 115.820 114.554 0.069 0.000 2.788 1005 T HA -0.043 4.306 4.350 -0.002 0.000 0.268 1005 T C 2.443 177.216 174.700 0.121 0.000 1.044 1005 T CA 1.313 63.454 62.100 0.068 0.000 1.139 1005 T CB -0.444 68.444 68.868 0.033 0.000 0.867 1005 T HN 0.320 nan 8.240 nan 0.000 0.454 1006 G N 0.817 109.736 108.800 0.198 0.000 2.471 1006 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.219 1006 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.219 1006 G C 1.527 176.647 174.900 0.367 0.000 1.125 1006 G CA 0.701 46.055 45.100 0.423 0.000 0.775 1006 G HN 0.460 nan 8.290 nan 0.000 0.548 1007 V N 1.631 121.694 119.914 0.248 0.000 2.278 1007 V HA -0.090 4.029 4.120 -0.002 0.000 0.238 1007 V C 2.748 178.974 176.094 0.219 0.000 1.039 1007 V CA 2.040 64.480 62.300 0.233 0.000 1.017 1007 V CB -0.692 31.239 31.823 0.180 0.000 0.657 1007 V HN 0.522 nan 8.190 nan 0.000 0.462 1008 M N 1.753 121.446 119.600 0.155 0.000 2.229 1008 M HA 0.118 4.597 4.480 -0.002 0.000 0.264 1008 M C 1.954 178.327 176.300 0.122 0.000 1.063 1008 M CA 2.387 57.769 55.300 0.136 0.000 1.114 1008 M CB -1.303 31.339 32.600 0.069 0.000 1.387 1008 M HN 0.162 nan 8.290 nan 0.000 0.420 1009 G N 0.336 109.210 108.800 0.122 0.000 2.404 1009 G HA2 -0.018 3.942 3.960 -0.002 0.000 0.215 1009 G HA3 -0.018 3.942 3.960 -0.002 0.000 0.215 1009 G C 1.539 176.512 174.900 0.122 0.000 1.174 1009 G CA 0.623 45.790 45.100 0.111 0.000 0.780 1009 G HN 0.629 nan 8.290 nan 0.000 0.537 1010 G N -0.067 108.829 108.800 0.160 0.000 2.598 1010 G HA2 0.004 3.963 3.960 -0.002 0.000 0.215 1010 G HA3 0.004 3.963 3.960 -0.002 0.000 0.215 1010 G C 1.598 176.558 174.900 0.100 0.000 1.131 1010 G CA 1.137 46.319 45.100 0.137 0.000 0.785 1010 G HN 0.386 nan 8.290 nan 0.000 0.539 1011 M N 1.273 120.947 119.600 0.122 0.000 2.325 1011 M HA 0.087 4.566 4.480 -0.002 0.000 0.265 1011 M C 2.595 178.934 176.300 0.064 0.000 1.094 1011 M CA 1.092 56.455 55.300 0.105 0.000 1.161 1011 M CB -0.334 32.396 32.600 0.217 0.000 1.358 1011 M HN 0.118 nan 8.290 nan 0.000 0.446 1012 V N -1.738 118.219 119.914 0.072 0.000 2.392 1012 V HA -0.191 3.928 4.120 -0.002 0.000 0.249 1012 V C 2.110 178.221 176.094 0.028 0.000 1.059 1012 V CA 2.377 64.706 62.300 0.049 0.000 1.051 1012 V CB -2.709 29.145 31.823 0.052 0.000 0.658 1012 V HN 0.654 nan 8.190 nan 0.000 0.455 1013 T N -1.289 113.283 114.554 0.030 0.000 2.942 1013 T HA 0.210 4.559 4.350 -0.002 0.000 0.265 1013 T C 1.877 176.575 174.700 -0.003 0.000 1.062 1013 T CA 1.098 63.208 62.100 0.018 0.000 1.139 1013 T CB -0.423 68.458 68.868 0.022 0.000 0.883 1013 T HN 0.804 nan 8.240 nan 0.000 0.468 1014 A N 0.969 123.787 122.820 -0.004 0.000 2.239 1014 A HA 0.193 4.512 4.320 -0.002 0.000 0.209 1014 A C 2.213 179.765 177.584 -0.054 0.000 1.171 1014 A CA 1.157 53.177 52.037 -0.029 0.000 0.768 1014 A CB -0.773 18.210 19.000 -0.028 0.000 0.790 1014 A HN 0.551 nan 8.150 nan 0.000 0.478 1015 T N -1.603 112.922 114.554 -0.047 0.000 3.111 1015 T HA 0.034 4.383 4.350 -0.002 0.000 0.236 1015 T C 1.812 176.447 174.700 -0.109 0.000 0.984 1015 T CA 1.084 63.144 62.100 -0.067 0.000 1.195 1015 T CB -0.248 68.597 68.868 -0.039 0.000 0.929 1015 T HN 0.068 nan 8.240 nan 0.000 0.431 1016 V N 1.717 121.573 119.914 -0.097 0.000 2.379 1016 V HA 0.007 4.126 4.120 -0.002 0.000 0.245 1016 V C 2.204 178.114 176.094 -0.306 0.000 1.044 1016 V CA 1.366 63.557 62.300 -0.181 0.000 1.036 1016 V CB -0.543 31.255 31.823 -0.042 0.000 0.664 1016 V HN 0.287 nan 8.190 nan 0.000 0.453 1017 L N 0.068 121.241 121.223 -0.083 0.000 2.418 1017 L HA 0.189 4.528 4.340 -0.002 0.000 0.218 1017 L C 2.135 178.962 176.870 -0.072 0.000 1.125 1017 L CA 1.447 56.311 54.840 0.040 0.000 0.835 1017 L CB -0.559 41.540 42.059 0.066 0.000 0.953 1017 L HN 0.268 nan 8.230 nan 0.000 0.454 1018 A N -1.524 121.216 122.820 -0.133 0.000 2.348 1018 A HA 0.166 4.485 4.320 -0.002 0.000 0.224 1018 A C 1.980 179.454 177.584 -0.183 0.000 1.227 1018 A CA 0.093 52.043 52.037 -0.145 0.000 0.885 1018 A CB -0.225 18.713 19.000 -0.103 0.000 0.933 1018 A HN 0.242 nan 8.150 nan 0.000 0.506 1019 I N -1.248 119.195 120.570 -0.212 0.000 2.400 1019 I HA 0.032 4.201 4.170 -0.002 0.000 0.248 1019 I C 1.458 177.703 176.117 0.214 0.000 1.109 1019 I CA 1.597 62.864 61.300 -0.055 0.000 1.425 1019 I CB 0.083 38.036 38.000 -0.080 0.000 1.094 1019 I HN 0.439 nan 8.210 nan 0.000 0.425 1020 F N -3.795 116.264 119.950 0.181 0.000 2.835 1020 F HA 0.397 4.923 4.527 -0.002 0.000 0.341 1020 F C 1.301 177.177 175.800 0.125 0.000 0.940 1020 F CA -0.819 57.383 58.000 0.336 0.000 1.125 1020 F CB -1.015 38.162 39.000 0.295 0.000 0.974 1020 F HN -0.129 nan 8.300 nan 0.000 0.601 1021 F N 1.888 121.832 119.950 -0.009 0.000 2.007 1021 F HA 0.004 4.531 4.527 -0.001 0.000 0.294 1021 F C 2.165 177.746 175.800 -0.364 0.000 1.351 1021 F CA 1.273 59.230 58.000 -0.070 0.000 1.152 1021 F CB -0.365 38.572 39.000 -0.104 0.000 0.947 1021 F HN -0.235 nan 8.300 nan 0.000 0.504 1022 V N -0.143 119.705 119.914 -0.110 0.000 2.418 1022 V HA -0.071 4.048 4.120 -0.002 0.000 0.208 1022 V C -0.943 174.874 176.094 -0.463 0.000 1.093 1022 V CA 0.460 62.493 62.300 -0.445 0.000 1.139 1022 V CB -2.075 29.682 31.823 -0.111 0.000 0.720 1022 V HN 0.234 nan 8.190 nan 0.000 0.483 1023 P HA -0.155 nan 4.420 nan 0.000 0.216 1023 P C 0.940 178.184 177.300 -0.092 0.000 1.167 1023 P CA 1.446 64.425 63.100 -0.202 0.000 0.914 1023 P CB -0.198 31.428 31.700 -0.122 0.000 0.793 1024 V N -0.128 119.673 119.914 -0.188 0.000 2.752 1024 V HA -0.161 3.958 4.120 -0.002 0.000 0.306 1024 V C 0.915 176.812 176.094 -0.327 0.000 1.099 1024 V CA 0.933 62.993 62.300 -0.401 0.000 1.240 1024 V CB -1.343 30.066 31.823 -0.690 0.000 0.887 1024 V HN 0.353 nan 8.190 nan 0.000 0.499 1025 F N 2.651 122.704 119.950 0.171 0.000 2.559 1025 F HA -0.351 4.175 4.527 -0.002 0.000 0.681 1025 F C 1.096 176.981 175.800 0.143 0.000 0.488 1025 F CA 1.817 59.905 58.000 0.147 0.000 0.759 1025 F CB -1.886 37.191 39.000 0.129 0.000 1.634 1025 F HN 0.508 nan 8.300 nan 0.000 0.264 1026 F N 1.529 121.556 119.950 0.130 0.000 2.449 1026 F HA -0.093 4.433 4.527 -0.001 0.000 0.299 1026 F C 2.297 178.107 175.800 0.016 0.000 1.092 1026 F CA 1.062 59.095 58.000 0.055 0.000 1.446 1026 F CB -0.949 38.048 39.000 -0.004 0.000 1.084 1026 F HN 0.156 nan 8.300 nan 0.000 0.567 1027 V N -1.968 118.056 119.914 0.183 0.000 2.379 1027 V HA -0.150 3.969 4.120 -0.002 0.000 0.245 1027 V C 1.915 178.059 176.094 0.083 0.000 1.044 1027 V CA 1.737 64.097 62.300 0.101 0.000 1.036 1027 V CB -1.382 30.473 31.823 0.054 0.000 0.664 1027 V HN 0.204 nan 8.190 nan 0.000 0.453 1028 V N -2.846 117.127 119.914 0.100 0.000 3.590 1028 V HA 0.257 4.376 4.120 -0.002 0.000 0.265 1028 V C 1.959 178.111 176.094 0.096 0.000 1.239 1028 V CA 1.002 63.345 62.300 0.072 0.000 1.117 1028 V CB 0.065 31.951 31.823 0.104 0.000 0.818 1028 V HN 0.298 nan 8.190 nan 0.000 0.451 1029 V N 0.446 120.423 119.914 0.106 0.000 2.735 1029 V HA 0.162 4.282 4.120 -0.002 0.000 0.234 1029 V C 2.571 178.714 176.094 0.082 0.000 1.121 1029 V CA 1.483 63.855 62.300 0.120 0.000 1.160 1029 V CB -0.326 31.498 31.823 0.001 0.000 0.908 1029 V HN 0.447 nan 8.190 nan 0.000 0.495 1030 R N 0.387 120.902 120.500 0.025 0.000 2.148 1030 R HA 0.009 4.348 4.340 -0.002 0.000 0.223 1030 R C 1.934 178.257 176.300 0.037 0.000 1.088 1030 R CA 1.149 57.277 56.100 0.047 0.000 0.985 1030 R CB 0.083 30.460 30.300 0.128 0.000 0.880 1030 R HN 0.357 nan 8.270 nan 0.000 0.451 1031 R N -0.788 119.727 120.500 0.026 0.000 2.427 1031 R HA 0.157 4.496 4.340 -0.002 0.000 0.262 1031 R C 1.582 177.833 176.300 -0.081 0.000 0.943 1031 R CA -0.018 56.072 56.100 -0.016 0.000 1.081 1031 R CB 0.500 30.833 30.300 0.056 0.000 1.166 1031 R HN 0.111 nan 8.270 nan 0.000 0.534 1032 R N -0.808 119.592 120.500 -0.166 0.000 2.197 1032 R HA 0.213 4.552 4.340 -0.002 0.000 0.188 1032 R C 0.037 176.029 176.300 -0.514 0.000 1.015 1032 R CA 0.338 56.178 56.100 -0.432 0.000 1.132 1032 R CB 0.290 30.148 30.300 -0.736 0.000 1.134 1032 R HN -0.069 nan 8.270 nan 0.000 0.560 1033 F N -0.238 119.709 119.950 -0.005 0.000 2.725 1033 F HA 0.334 4.860 4.527 -0.002 0.000 0.215 1033 F C 1.756 177.548 175.800 -0.013 0.000 1.181 1033 F CA 0.251 58.245 58.000 -0.010 0.000 0.982 1033 F CB -0.558 38.431 39.000 -0.018 0.000 2.121 1033 F HN 0.062 nan 8.300 nan 0.000 0.589 1034 S N -1.049 114.792 115.700 0.235 0.000 2.580 1034 S HA -0.301 4.168 4.470 -0.002 0.000 0.251 1034 S C 1.188 175.837 174.600 0.083 0.000 1.281 1034 S CA 2.120 60.386 58.200 0.109 0.000 1.558 1034 S CB -0.797 62.447 63.200 0.073 0.000 1.996 1034 S HN 0.712 nan 8.310 nan 0.000 0.656 1035 R N -0.324 120.233 120.500 0.095 0.000 3.609 1035 R HA 0.453 4.793 4.340 -0.002 0.000 0.149 1035 R C 0.491 176.842 176.300 0.086 0.000 0.948 1035 R CA -0.218 55.921 56.100 0.065 0.000 1.014 1035 R CB 0.151 30.472 30.300 0.034 0.000 1.404 1035 R HN 0.235 nan 8.270 nan 0.000 0.493 1036 K N 0.000 120.455 120.400 0.091 0.000 2.780 1036 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 1036 K CA 0.000 56.346 56.287 0.099 0.000 0.838 1036 K CB 0.000 32.535 32.500 0.059 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543