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 1t9v_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQAKLQLAMP LLPQEVQQQG VSVEKSSSSF LMVVGVINTD GTMTQEDISD DATA SEQUENCE YVAANMKDAI SRTSGVGDVQ LFGSQYAMRI WMNPNELNKF QLTPVDVITA DATA SEQUENCE IKAQNAQVAA GQLGGTPPVK GQQLNASIIA QTRLTSTEEF GKILLKVNQD DATA SEQUENCE GSRVLLRDVA KIELGGENYD IIAEFNGQPA SGLGIKLATG ANALDTAAAI DATA SEQUENCE RAELAKMEPF FPSGLKIVYP YDTTPFVKIS IHEVVKTLVE AIILVFLVMY DATA SEQUENCE LFLQNFRATL IPTIAVPVVL LGTFAVLAAF GFSINTLTMF GMVLAIGLLV DATA SEQUENCE DDAIVVVENV ERVMAEEGLP PKEATRKSMG QIQGALVGIA MVLSAVFVPM DATA SEQUENCE AFFGGSTGAI YRQXSITIVS AMALSVLVAL ILTPALCATM LKXXXXXXXX DATA SEQUENCE XXXXXXFGWF NRMFEKSTHH YTDSVGGILR STGRYLVLYL IIVVGMAYLF DATA SEQUENCE VRLPSSFLPD EDQGVFMTMV QLPAGATQER TQKVLNEVTH YYLTKEKNNV DATA SEQUENCE ESVFAVNGFG FAGRGQNTGI AFVSLKDWAD RPGEENKVEA ITMRATRAFS DATA SEQUENCE QIKDAMVFAF NLPAIVELGT ATGFDFELID QAGLGHEKLT QARNQLLAEA DATA SEQUENCE AKHPDMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWTGXSYQE RLSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAKNAILIV EFAKDLMDKE DATA SEQUENCE GKGLIEATLD AVRMRLRPIL MTSLAFILGV MPLVISTGAG SGAQNAVGTG DATA SEQUENCE VMGGMVTATV LAIFFVPVFF VVVRRRFSRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.288 176.300 -0.021 0.000 2.045 7 D CA 0.000 54.003 54.000 0.005 0.000 0.868 7 D CB 0.000 40.807 40.800 0.011 0.000 0.688 8 R N 0.946 121.422 120.500 -0.040 0.000 2.795 8 R HA 0.628 4.968 4.340 -0.000 0.000 0.275 8 R C -2.185 174.095 176.300 -0.033 0.000 0.981 8 R CA -1.422 54.620 56.100 -0.097 0.000 0.917 8 R CB 1.844 31.989 30.300 -0.258 0.000 1.202 8 R HN 0.056 nan 8.270 nan 0.000 0.469 9 P HA -0.088 nan 4.420 nan 0.000 0.200 9 P C 1.421 178.820 177.300 0.165 0.000 1.186 9 P CA 0.610 63.767 63.100 0.095 0.000 0.896 9 P CB -0.154 31.516 31.700 -0.051 0.000 0.729 10 I N -1.107 119.493 120.570 0.049 0.000 2.267 10 I HA -0.339 3.830 4.170 -0.000 0.000 0.239 10 I C 2.443 178.800 176.117 0.400 0.000 0.984 10 I CA 1.802 63.213 61.300 0.184 0.000 1.272 10 I CB -2.586 35.499 38.000 0.140 0.000 0.976 10 I HN -0.022 nan 8.210 nan 0.000 0.407 11 F N 1.430 121.445 119.950 0.108 0.000 2.134 11 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 11 F C 2.816 178.681 175.800 0.108 0.000 1.097 11 F CA 0.945 59.000 58.000 0.091 0.000 1.264 11 F CB -0.426 38.611 39.000 0.062 0.000 1.001 11 F HN 0.288 nan 8.300 nan 0.000 0.479 12 A N -0.682 122.333 122.820 0.324 0.000 1.929 12 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 12 A C 1.721 179.425 177.584 0.201 0.000 1.176 12 A CA 0.847 53.012 52.037 0.214 0.000 0.628 12 A CB -1.158 17.944 19.000 0.171 0.000 0.816 12 A HN 0.514 nan 8.150 nan 0.000 0.444 13 W N -0.321 121.031 121.300 0.086 0.000 2.465 13 W HA -0.040 4.620 4.660 -0.000 0.000 0.268 13 W C 2.005 178.563 176.519 0.066 0.000 1.242 13 W CA 1.430 58.816 57.345 0.068 0.000 1.248 13 W CB -0.010 29.488 29.460 0.063 0.000 1.118 13 W HN 0.147 nan 8.180 nan 0.000 0.587 14 V N -0.290 119.792 119.914 0.279 0.000 2.878 14 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 14 V C 1.997 178.149 176.094 0.098 0.000 1.075 14 V CA 0.876 63.281 62.300 0.175 0.000 1.096 14 V CB -0.386 31.528 31.823 0.151 0.000 0.724 14 V HN 0.053 nan 8.190 nan 0.000 0.467 15 I N 0.853 121.476 120.570 0.088 0.000 2.315 15 I HA -0.186 3.983 4.170 -0.000 0.000 0.248 15 I C 2.567 178.689 176.117 0.008 0.000 1.117 15 I CA 1.806 63.132 61.300 0.042 0.000 1.404 15 I CB -0.706 37.321 38.000 0.045 0.000 1.071 15 I HN 0.344 nan 8.210 nan 0.000 0.419 16 A N 0.385 123.193 122.820 -0.020 0.000 2.016 16 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 16 A C 2.218 179.769 177.584 -0.056 0.000 1.162 16 A CA 0.798 52.785 52.037 -0.083 0.000 0.662 16 A CB -0.423 18.447 19.000 -0.216 0.000 0.812 16 A HN 0.349 nan 8.150 nan 0.000 0.450 17 I N -0.588 119.981 120.570 -0.003 0.000 2.876 17 I HA -0.103 4.067 4.170 -0.000 0.000 0.264 17 I C 2.008 178.143 176.117 0.029 0.000 1.204 17 I CA 0.447 61.765 61.300 0.030 0.000 1.485 17 I CB -0.056 38.000 38.000 0.094 0.000 1.103 17 I HN 0.284 nan 8.210 nan 0.000 0.446 18 I N 0.766 121.351 120.570 0.025 0.000 2.194 18 I HA -0.334 3.836 4.170 -0.000 0.000 0.246 18 I C 2.204 178.329 176.117 0.014 0.000 1.093 18 I CA 1.824 63.135 61.300 0.018 0.000 1.355 18 I CB -0.115 37.893 38.000 0.012 0.000 1.046 18 I HN 0.167 nan 8.210 nan 0.000 0.413 19 I N -0.592 119.981 120.570 0.006 0.000 2.761 19 I HA -0.203 3.966 4.170 -0.000 0.000 0.261 19 I C 2.289 178.420 176.117 0.023 0.000 1.198 19 I CA 0.403 61.708 61.300 0.009 0.000 1.482 19 I CB -0.210 37.785 38.000 -0.010 0.000 1.100 19 I HN 0.193 nan 8.210 nan 0.000 0.445 20 M N 0.352 119.961 119.600 0.015 0.000 2.149 20 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 20 M C 2.061 178.384 176.300 0.039 0.000 1.064 20 M CA 1.812 57.128 55.300 0.027 0.000 1.102 20 M CB -0.804 31.810 32.600 0.023 0.000 1.369 20 M HN 0.237 nan 8.290 nan 0.000 0.408 21 L N -0.938 120.305 121.223 0.033 0.000 2.040 21 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 21 L C 2.567 179.459 176.870 0.036 0.000 1.186 21 L CA 0.612 55.470 54.840 0.030 0.000 1.017 21 L CB -1.468 40.605 42.059 0.023 0.000 1.011 21 L HN 0.216 nan 8.230 nan 0.000 0.561 22 A N 0.750 123.587 122.820 0.028 0.000 1.698 22 A HA -0.389 3.931 4.320 -0.000 0.000 0.304 22 A C 2.145 179.765 177.584 0.060 0.000 3.354 22 A CA 3.149 55.205 52.037 0.030 0.000 0.884 22 A CB -2.095 16.918 19.000 0.021 0.000 0.798 22 A HN 0.727 nan 8.150 nan 0.000 0.543 23 G N -2.078 106.781 108.800 0.098 0.000 2.453 23 G HA2 0.092 4.052 3.960 -0.000 0.000 0.215 23 G HA3 0.092 4.052 3.960 -0.000 0.000 0.215 23 G C 1.696 176.716 174.900 0.200 0.000 1.201 23 G CA 1.341 46.567 45.100 0.210 0.000 0.784 23 G HN 1.295 nan 8.290 nan 0.000 0.545 24 G N 0.644 109.525 108.800 0.134 0.000 2.442 24 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.219 24 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.219 24 G C 1.686 176.576 174.900 -0.018 0.000 1.141 24 G CA 0.881 46.005 45.100 0.040 0.000 0.763 24 G HN 0.373 nan 8.290 nan 0.000 0.554 25 L N 0.932 122.158 121.223 0.004 0.000 2.083 25 L HA 0.027 4.366 4.340 -0.000 0.000 0.209 25 L C 2.857 179.710 176.870 -0.029 0.000 1.083 25 L CA 2.237 57.070 54.840 -0.011 0.000 0.752 25 L CB -0.918 41.142 42.059 0.001 0.000 0.899 25 L HN 0.305 nan 8.230 nan 0.000 0.433 26 A N -0.114 122.694 122.820 -0.019 0.000 2.015 26 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 26 A C 2.072 179.589 177.584 -0.113 0.000 1.163 26 A CA 1.337 53.354 52.037 -0.033 0.000 0.646 26 A CB -0.515 18.505 19.000 0.032 0.000 0.806 26 A HN 0.427 nan 8.150 nan 0.000 0.448 27 I N -0.697 119.749 120.570 -0.208 0.000 2.286 27 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 27 I C 1.541 177.564 176.117 -0.157 0.000 1.115 27 I CA 1.129 62.257 61.300 -0.287 0.000 1.392 27 I CB -0.198 37.565 38.000 -0.396 0.000 1.065 27 I HN 0.214 nan 8.210 nan 0.000 0.418 28 L N -0.322 120.839 121.223 -0.104 0.000 2.629 28 L HA 0.132 4.472 4.340 -0.000 0.000 0.230 28 L C 1.100 177.940 176.870 -0.050 0.000 1.151 28 L CA 0.552 55.352 54.840 -0.068 0.000 0.924 28 L CB -0.317 41.712 42.059 -0.050 0.000 1.137 28 L HN 0.037 nan 8.230 nan 0.000 0.457 29 K N 0.921 121.290 120.400 -0.053 0.000 3.413 29 K HA 0.294 4.614 4.320 -0.000 0.000 0.170 29 K C -1.273 175.309 176.600 -0.031 0.000 1.005 29 K CA -0.089 56.178 56.287 -0.035 0.000 0.925 29 K CB 0.780 33.264 32.500 -0.026 0.000 0.686 29 K HN 0.132 nan 8.250 nan 0.000 0.432 30 L N -1.238 119.962 121.223 -0.038 0.000 2.545 30 L HA 0.652 4.992 4.340 -0.000 0.000 0.258 30 L C -2.816 174.042 176.870 -0.020 0.000 0.942 30 L CA -1.446 53.382 54.840 -0.021 0.000 0.855 30 L CB 1.887 43.941 42.059 -0.009 0.000 1.374 30 L HN -0.108 nan 8.230 nan 0.000 0.411 31 P HA -0.035 nan 4.420 nan 0.000 0.257 31 P C 0.800 178.097 177.300 -0.006 0.000 1.162 31 P CA -0.021 63.083 63.100 0.005 0.000 0.762 31 P CB 0.598 32.314 31.700 0.026 0.000 0.753 32 V N 0.417 120.320 119.914 -0.018 0.000 3.623 32 V HA 0.215 4.334 4.120 -0.000 0.000 0.271 32 V C 1.114 177.193 176.094 -0.025 0.000 1.248 32 V CA 0.266 62.546 62.300 -0.033 0.000 1.156 32 V CB -1.275 30.522 31.823 -0.043 0.000 0.870 32 V HN 0.533 nan 8.190 nan 0.000 0.453 33 A N 0.262 123.078 122.820 -0.006 0.000 2.310 33 A HA 0.425 4.745 4.320 -0.000 0.000 0.260 33 A C 0.907 178.478 177.584 -0.022 0.000 1.112 33 A CA -0.226 51.813 52.037 0.004 0.000 0.804 33 A CB 0.145 19.164 19.000 0.032 0.000 1.081 33 A HN 0.394 nan 8.150 nan 0.000 0.499 34 Q N -0.925 118.867 119.800 -0.013 0.000 3.417 34 Q HA -0.049 4.291 4.340 -0.000 0.000 0.189 34 Q C -0.397 175.554 176.000 -0.082 0.000 1.206 34 Q CA 0.737 56.489 55.803 -0.085 0.000 1.321 34 Q CB -0.339 28.432 28.738 0.055 0.000 1.423 34 Q HN 0.605 nan 8.270 nan 0.000 0.730 35 Y N 0.855 121.173 120.300 0.029 0.000 2.960 35 Y HA -0.118 4.432 4.550 -0.000 0.000 0.345 35 Y C -1.380 174.532 175.900 0.019 0.000 1.277 35 Y CA -0.594 57.512 58.100 0.010 0.000 1.508 35 Y CB -0.922 37.545 38.460 0.010 0.000 1.317 35 Y HN 0.451 nan 8.280 nan 0.000 0.639 36 P HA 0.128 nan 4.420 nan 0.000 0.302 36 P C -0.728 176.633 177.300 0.103 0.000 1.307 36 P CA -0.648 62.518 63.100 0.110 0.000 0.754 36 P CB 0.436 32.181 31.700 0.076 0.000 1.298 37 T N 0.651 115.252 114.554 0.079 0.000 2.834 37 T HA 0.225 4.575 4.350 -0.000 0.000 0.298 37 T C 1.049 175.783 174.700 0.056 0.000 0.966 37 T CA 0.358 62.498 62.100 0.067 0.000 1.141 37 T CB -0.339 68.565 68.868 0.061 0.000 0.905 37 T HN 0.210 nan 8.240 nan 0.000 0.535 38 I N 1.769 122.371 120.570 0.053 0.000 3.650 38 I HA 0.400 4.570 4.170 -0.000 0.000 0.261 38 I C 1.311 177.462 176.117 0.056 0.000 1.154 38 I CA -0.398 60.931 61.300 0.049 0.000 1.418 38 I CB -0.941 37.083 38.000 0.040 0.000 1.539 38 I HN 0.542 nan 8.210 nan 0.000 0.449 39 A N 4.235 127.088 122.820 0.055 0.000 2.520 39 A HA 0.378 4.698 4.320 -0.000 0.000 0.245 39 A C -2.163 175.464 177.584 0.071 0.000 1.072 39 A CA -0.730 51.345 52.037 0.064 0.000 0.761 39 A CB -1.070 17.966 19.000 0.060 0.000 1.004 39 A HN 0.205 nan 8.150 nan 0.000 0.499 40 P HA 0.191 nan 4.420 nan 0.000 0.262 40 P C -2.684 174.673 177.300 0.095 0.000 1.199 40 P CA -0.766 62.385 63.100 0.085 0.000 0.763 40 P CB -0.106 31.643 31.700 0.082 0.000 0.790 41 P HA 0.351 nan 4.420 nan 0.000 0.280 41 P C -0.781 176.616 177.300 0.161 0.000 1.244 41 P CA -0.206 62.947 63.100 0.088 0.000 0.784 41 P CB 0.878 32.598 31.700 0.034 0.000 0.913 42 A N 2.843 125.753 122.820 0.150 0.000 2.380 42 A HA 0.709 5.028 4.320 -0.000 0.000 0.315 42 A C -0.737 176.948 177.584 0.169 0.000 1.101 42 A CA -0.670 51.498 52.037 0.218 0.000 0.771 42 A CB 1.244 20.325 19.000 0.135 0.000 1.287 42 A HN 0.321 nan 8.150 nan 0.000 0.436 43 V N 0.433 120.484 119.914 0.227 0.000 2.850 43 V HA 0.744 4.864 4.120 -0.000 0.000 0.315 43 V C -0.113 176.049 176.094 0.114 0.000 1.064 43 V CA -0.409 61.981 62.300 0.150 0.000 0.979 43 V CB 1.966 33.898 31.823 0.181 0.000 1.039 43 V HN 0.937 nan 8.190 nan 0.000 0.452 44 T N 3.790 118.393 114.554 0.081 0.000 2.949 44 T HA 0.577 4.927 4.350 -0.000 0.000 0.300 44 T C -0.409 174.322 174.700 0.051 0.000 0.988 44 T CA -0.246 61.894 62.100 0.067 0.000 0.993 44 T CB 0.833 69.741 68.868 0.068 0.000 0.984 44 T HN 0.386 nan 8.240 nan 0.000 0.442 45 I N 2.582 123.179 120.570 0.045 0.000 2.662 45 I HA 0.541 4.711 4.170 -0.000 0.000 0.291 45 I C 0.218 176.354 176.117 0.031 0.000 1.046 45 I CA -0.573 60.747 61.300 0.032 0.000 1.361 45 I CB 1.128 39.144 38.000 0.025 0.000 1.429 45 I HN 0.694 nan 8.210 nan 0.000 0.558 46 S N 3.095 118.809 115.700 0.024 0.000 2.614 46 S HA 0.695 5.165 4.470 -0.000 0.000 0.259 46 S C -0.613 173.996 174.600 0.016 0.000 1.118 46 S CA -0.867 57.347 58.200 0.023 0.000 1.065 46 S CB 1.251 64.465 63.200 0.023 0.000 1.121 46 S HN 0.842 nan 8.310 nan 0.000 0.458 47 A N 1.671 124.503 122.820 0.020 0.000 2.284 47 A HA 0.981 5.301 4.320 -0.000 0.000 0.317 47 A C -0.041 177.565 177.584 0.037 0.000 1.120 47 A CA -1.032 51.015 52.037 0.017 0.000 0.900 47 A CB 1.680 20.684 19.000 0.007 0.000 1.319 47 A HN 1.078 nan 8.150 nan 0.000 0.494 48 S N -1.106 114.622 115.700 0.047 0.000 2.649 48 S HA 0.447 4.917 4.470 -0.000 0.000 0.274 48 S C -1.919 172.773 174.600 0.153 0.000 1.176 48 S CA -0.316 57.939 58.200 0.091 0.000 0.988 48 S CB 0.649 63.894 63.200 0.076 0.000 1.071 48 S HN 0.616 nan 8.310 nan 0.000 0.478 49 Y N 6.696 127.016 120.300 0.034 0.000 2.721 49 Y HA 0.394 4.944 4.550 -0.000 0.000 0.328 49 Y C -2.338 173.597 175.900 0.059 0.000 1.003 49 Y CA -2.788 55.337 58.100 0.041 0.000 1.275 49 Y CB 1.134 39.613 38.460 0.031 0.000 1.097 49 Y HN 0.435 nan 8.280 nan 0.000 0.514 50 P HA 0.117 nan 4.420 nan 0.000 0.270 50 P C 0.652 178.006 177.300 0.090 0.000 1.242 50 P CA 1.454 64.663 63.100 0.182 0.000 0.768 50 P CB 1.254 33.105 31.700 0.253 0.000 0.820 51 G N 2.947 111.757 108.800 0.017 0.000 2.397 51 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.211 51 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.211 51 G C 0.415 175.235 174.900 -0.133 0.000 1.077 51 G CA 0.008 45.089 45.100 -0.032 0.000 0.649 51 G HN 0.823 nan 8.290 nan 0.000 0.511 52 A N 1.345 123.978 122.820 -0.312 0.000 2.561 52 A HA 0.478 4.797 4.320 -0.000 0.000 0.234 52 A C 0.644 178.129 177.584 -0.164 0.000 1.055 52 A CA 1.364 53.155 52.037 -0.410 0.000 0.756 52 A CB -0.245 18.284 19.000 -0.785 0.000 0.986 52 A HN 1.289 nan 8.150 nan 0.000 0.505 53 D N 0.715 121.042 120.400 -0.122 0.000 2.478 53 D HA 0.538 5.178 4.640 -0.000 0.000 0.269 53 D C 1.086 177.381 176.300 -0.007 0.000 1.232 53 D CA -0.043 53.932 54.000 -0.042 0.000 1.059 53 D CB 0.790 41.570 40.800 -0.033 0.000 1.104 53 D HN 0.417 nan 8.370 nan 0.000 0.566 54 A N -0.261 122.575 122.820 0.027 0.000 1.898 54 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 54 A C 1.979 179.596 177.584 0.056 0.000 1.181 54 A CA 1.359 53.426 52.037 0.051 0.000 0.620 54 A CB -0.726 18.317 19.000 0.073 0.000 0.819 54 A HN 0.481 nan 8.150 nan 0.000 0.442 55 K N -0.383 120.047 120.400 0.051 0.000 2.097 55 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 55 K C 2.035 178.662 176.600 0.046 0.000 1.050 55 K CA 1.808 58.127 56.287 0.053 0.000 0.938 55 K CB -0.594 31.933 32.500 0.044 0.000 0.718 55 K HN 0.494 nan 8.250 nan 0.000 0.442 56 T N 0.363 114.934 114.554 0.029 0.000 2.701 56 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 56 T C 1.900 176.667 174.700 0.112 0.000 1.040 56 T CA 1.669 63.794 62.100 0.042 0.000 1.147 56 T CB -0.366 68.475 68.868 -0.045 0.000 0.865 56 T HN 0.185 nan 8.240 nan 0.000 0.426 57 V N 0.521 120.503 119.914 0.112 0.000 2.759 57 V HA -0.064 4.056 4.120 -0.000 0.000 0.256 57 V C 2.308 178.464 176.094 0.103 0.000 1.080 57 V CA 1.422 63.818 62.300 0.160 0.000 1.101 57 V CB -0.846 31.064 31.823 0.144 0.000 0.698 57 V HN 0.315 nan 8.190 nan 0.000 0.477 58 Q N 2.030 121.876 119.800 0.078 0.000 2.291 58 Q HA -0.202 4.138 4.340 -0.000 0.000 0.205 58 Q C 1.187 177.217 176.000 0.050 0.000 0.970 58 Q CA 2.234 58.072 55.803 0.059 0.000 0.876 58 Q CB 0.018 28.788 28.738 0.055 0.000 0.935 58 Q HN 1.029 nan 8.270 nan 0.000 0.455 59 D N -3.311 117.123 120.400 0.057 0.000 2.525 59 D HA 0.041 4.681 4.640 -0.000 0.000 0.231 59 D C 0.993 177.320 176.300 0.046 0.000 1.216 59 D CA 0.082 54.108 54.000 0.044 0.000 0.813 59 D CB -0.059 40.763 40.800 0.037 0.000 1.108 59 D HN -0.073 nan 8.370 nan 0.000 0.524 60 T N -0.841 113.755 114.554 0.070 0.000 3.037 60 T HA 0.166 4.516 4.350 -0.000 0.000 0.252 60 T C 1.163 175.873 174.700 0.017 0.000 1.073 60 T CA 0.798 62.934 62.100 0.060 0.000 1.091 60 T CB 0.263 69.213 68.868 0.137 0.000 0.935 60 T HN 0.050 nan 8.240 nan 0.000 0.488 61 V N -0.245 119.688 119.914 0.032 0.000 3.161 61 V HA 0.101 4.221 4.120 -0.000 0.000 0.221 61 V C 2.549 178.651 176.094 0.014 0.000 1.296 61 V CA 0.888 63.192 62.300 0.007 0.000 1.306 61 V CB -0.490 31.340 31.823 0.011 0.000 1.171 61 V HN 0.267 nan 8.190 nan 0.000 0.513 62 T N 0.386 114.958 114.554 0.030 0.000 2.570 62 T HA -0.306 4.044 4.350 -0.000 0.000 0.266 62 T C 1.874 176.581 174.700 0.013 0.000 1.071 62 T CA 2.183 64.297 62.100 0.024 0.000 1.172 62 T CB -0.369 68.519 68.868 0.033 0.000 0.864 62 T HN 0.346 nan 8.240 nan 0.000 0.421 63 Q N 0.167 119.976 119.800 0.015 0.000 2.124 63 Q HA -0.084 4.255 4.340 -0.000 0.000 0.202 63 Q C 2.667 178.667 176.000 0.000 0.000 0.977 63 Q CA 1.126 56.933 55.803 0.007 0.000 0.850 63 Q CB -0.548 28.197 28.738 0.012 0.000 0.901 63 Q HN 0.384 nan 8.270 nan 0.000 0.429 64 V N 1.082 120.996 119.914 0.000 0.000 2.255 64 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 64 V C 2.248 178.336 176.094 -0.009 0.000 1.051 64 V CA 1.650 63.946 62.300 -0.006 0.000 1.018 64 V CB -0.466 31.351 31.823 -0.010 0.000 0.641 64 V HN 0.294 nan 8.190 nan 0.000 0.445 65 I N -0.230 120.335 120.570 -0.008 0.000 2.264 65 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 65 I C 2.512 178.621 176.117 -0.013 0.000 1.111 65 I CA 1.599 62.893 61.300 -0.010 0.000 1.382 65 I CB -0.336 37.660 38.000 -0.006 0.000 1.060 65 I HN 0.403 nan 8.210 nan 0.000 0.418 66 E N 0.237 120.429 120.200 -0.014 0.000 2.152 66 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 66 E C 1.838 178.423 176.600 -0.024 0.000 0.983 66 E CA 0.864 57.250 56.400 -0.023 0.000 0.818 66 E CB -0.119 29.567 29.700 -0.023 0.000 0.758 66 E HN 0.665 nan 8.360 nan 0.000 0.467 67 Q N 0.083 119.873 119.800 -0.017 0.000 2.444 67 Q HA 0.033 4.373 4.340 -0.000 0.000 0.206 67 Q C 0.653 176.643 176.000 -0.016 0.000 0.948 67 Q CA 0.437 56.230 55.803 -0.016 0.000 0.946 67 Q CB -0.075 28.656 28.738 -0.012 0.000 1.027 67 Q HN 0.103 nan 8.270 nan 0.000 0.513 68 N N -0.173 118.518 118.700 -0.015 0.000 2.291 68 N HA 0.146 4.886 4.740 -0.000 0.000 0.244 68 N C -0.287 175.215 175.510 -0.013 0.000 1.216 68 N CA -0.031 53.011 53.050 -0.013 0.000 0.879 68 N CB 0.609 39.089 38.487 -0.011 0.000 1.167 68 N HN -0.044 nan 8.380 nan 0.000 0.515 69 M N 1.579 121.167 119.600 -0.020 0.000 3.170 69 M HA 0.242 4.721 4.480 -0.000 0.000 0.263 69 M C -0.820 175.462 176.300 -0.030 0.000 1.153 69 M CA -0.229 55.058 55.300 -0.023 0.000 0.949 69 M CB -1.071 31.509 32.600 -0.034 0.000 1.291 69 M HN 0.221 nan 8.290 nan 0.000 0.550 70 N N -1.752 116.937 118.700 -0.019 0.000 2.629 70 N HA 0.599 5.339 4.740 -0.000 0.000 0.279 70 N C 0.448 175.953 175.510 -0.008 0.000 1.344 70 N CA 0.134 53.172 53.050 -0.020 0.000 0.789 70 N CB 0.814 39.288 38.487 -0.021 0.000 1.508 70 N HN 0.256 nan 8.380 nan 0.000 0.516 71 G N -0.434 108.362 108.800 -0.007 0.000 2.246 71 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.273 71 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.273 71 G C -0.604 174.305 174.900 0.014 0.000 1.055 71 G CA 0.254 45.355 45.100 0.002 0.000 0.851 71 G HN 0.568 nan 8.290 nan 0.000 0.500 72 I N -0.090 120.492 120.570 0.020 0.000 2.493 72 I HA 0.307 4.477 4.170 -0.000 0.000 0.298 72 I C -0.389 175.771 176.117 0.071 0.000 0.998 72 I CA -0.874 60.460 61.300 0.056 0.000 1.137 72 I CB 1.635 39.681 38.000 0.075 0.000 1.310 72 I HN -0.083 nan 8.210 nan 0.000 0.445 73 D N 5.573 126.031 120.400 0.097 0.000 2.348 73 D HA 0.242 4.882 4.640 -0.000 0.000 0.253 73 D C -0.181 176.224 176.300 0.176 0.000 1.161 73 D CA 0.472 54.528 54.000 0.093 0.000 0.876 73 D CB 0.179 41.014 40.800 0.059 0.000 1.160 73 D HN 0.453 nan 8.370 nan 0.000 0.459 74 N N 0.779 119.555 118.700 0.126 0.000 4.088 74 N HA -0.202 4.538 4.740 -0.000 0.000 0.318 74 N C -1.466 174.095 175.510 0.085 0.000 2.184 74 N CA 0.044 53.188 53.050 0.156 0.000 3.032 74 N CB -0.142 38.495 38.487 0.249 0.000 0.280 74 N HN 0.240 nan 8.380 nan 0.000 0.793 75 L N 2.225 123.398 121.223 -0.085 0.000 2.830 75 L HA 0.229 4.568 4.340 -0.000 0.000 0.259 75 L C 0.020 176.750 176.870 -0.233 0.000 0.926 75 L CA -0.369 54.276 54.840 -0.325 0.000 0.993 75 L CB 1.761 43.625 42.059 -0.324 0.000 1.589 75 L HN 0.680 nan 8.230 nan 0.000 0.460 76 M N 2.264 121.657 119.600 -0.344 0.000 2.556 76 M HA 0.251 4.730 4.480 -0.000 0.000 0.259 76 M C -0.758 175.488 176.300 -0.089 0.000 1.175 76 M CA 0.907 56.087 55.300 -0.201 0.000 1.202 76 M CB 0.428 32.867 32.600 -0.269 0.000 1.298 76 M HN 0.602 nan 8.290 nan 0.000 0.492 77 Y N -1.608 118.603 120.300 -0.148 0.000 2.677 77 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 77 Y C -1.022 174.708 175.900 -0.284 0.000 1.196 77 Y CA -2.192 55.782 58.100 -0.211 0.000 1.059 77 Y CB 0.836 39.243 38.460 -0.090 0.000 1.315 77 Y HN 0.087 nan 8.280 nan 0.000 0.455 78 M N 3.113 122.601 119.600 -0.187 0.000 2.393 78 M HA 0.823 5.303 4.480 -0.000 0.000 0.316 78 M C -1.286 174.880 176.300 -0.225 0.000 1.087 78 M CA -0.292 54.905 55.300 -0.172 0.000 0.937 78 M CB 2.085 34.572 32.600 -0.188 0.000 1.668 78 M HN 0.982 nan 8.290 nan 0.000 0.438 79 S N 2.570 118.255 115.700 -0.024 0.000 2.751 79 S HA 0.956 5.426 4.470 -0.000 0.000 0.310 79 S C -0.613 174.009 174.600 0.037 0.000 1.128 79 S CA -0.291 57.935 58.200 0.043 0.000 0.931 79 S CB 1.798 65.101 63.200 0.172 0.000 1.177 79 S HN 1.103 nan 8.310 nan 0.000 0.530 80 S N 0.382 116.118 115.700 0.060 0.000 2.552 80 S HA 0.593 5.063 4.470 -0.000 0.000 0.272 80 S C -2.395 172.238 174.600 0.055 0.000 1.150 80 S CA -0.846 57.382 58.200 0.047 0.000 0.849 80 S CB 1.139 64.355 63.200 0.026 0.000 1.113 80 S HN 0.726 nan 8.310 nan 0.000 0.458 81 N N 1.393 120.126 118.700 0.055 0.000 2.295 81 N HA 0.636 5.376 4.740 -0.000 0.000 0.293 81 N C -1.691 173.852 175.510 0.056 0.000 1.040 81 N CA -0.523 52.561 53.050 0.058 0.000 0.840 81 N CB 2.124 40.653 38.487 0.070 0.000 1.468 81 N HN 0.704 nan 8.380 nan 0.000 0.478 82 S N 0.457 116.190 115.700 0.055 0.000 2.707 82 S HA 0.448 4.918 4.470 -0.000 0.000 0.303 82 S C -0.920 173.718 174.600 0.063 0.000 1.132 82 S CA -0.984 57.251 58.200 0.059 0.000 1.046 82 S CB 1.952 65.186 63.200 0.056 0.000 1.004 82 S HN 0.319 nan 8.310 nan 0.000 0.483 83 D N 1.370 121.809 120.400 0.064 0.000 2.326 83 D HA 0.352 4.992 4.640 -0.000 0.000 0.251 83 D C 0.963 177.297 176.300 0.057 0.000 1.023 83 D CA -0.389 53.650 54.000 0.064 0.000 0.966 83 D CB 2.031 42.869 40.800 0.064 0.000 1.156 83 D HN 0.545 nan 8.370 nan 0.000 0.494 84 S N -1.031 114.704 115.700 0.057 0.000 2.562 84 S HA -0.056 4.414 4.470 -0.000 0.000 0.221 84 S C 1.276 175.898 174.600 0.037 0.000 0.975 84 S CA 0.380 58.608 58.200 0.047 0.000 0.918 84 S CB -0.058 63.176 63.200 0.057 0.000 0.772 84 S HN 0.390 nan 8.310 nan 0.000 0.531 85 T N 1.516 116.096 114.554 0.043 0.000 3.148 85 T HA 0.394 4.744 4.350 -0.000 0.000 0.253 85 T C 1.131 175.852 174.700 0.036 0.000 1.134 85 T CA 0.435 62.558 62.100 0.039 0.000 1.051 85 T CB -0.410 68.482 68.868 0.040 0.000 0.959 85 T HN 0.915 nan 8.240 nan 0.000 0.525 86 G N 2.891 111.713 108.800 0.037 0.000 2.401 86 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.283 86 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.283 86 G C 0.008 174.959 174.900 0.086 0.000 1.117 86 G CA -0.078 45.055 45.100 0.055 0.000 1.051 86 G HN 0.800 nan 8.290 nan 0.000 0.510 87 T N -3.222 111.377 114.554 0.075 0.000 3.237 87 T HA 0.660 5.010 4.350 -0.000 0.000 0.319 87 T C -0.531 174.208 174.700 0.064 0.000 1.037 87 T CA -0.215 61.925 62.100 0.066 0.000 1.048 87 T CB 2.293 71.187 68.868 0.044 0.000 1.081 87 T HN 1.574 nan 8.240 nan 0.000 0.455 88 V N 3.201 123.152 119.914 0.062 0.000 2.769 88 V HA 0.892 5.012 4.120 -0.000 0.000 0.312 88 V C -1.479 174.643 176.094 0.047 0.000 1.061 88 V CA -0.580 61.754 62.300 0.056 0.000 0.931 88 V CB 1.782 33.639 31.823 0.056 0.000 1.010 88 V HN 1.222 nan 8.190 nan 0.000 0.433 89 Q N 5.032 124.862 119.800 0.049 0.000 2.280 89 Q HA 0.498 4.838 4.340 -0.000 0.000 0.259 89 Q C -2.269 173.760 176.000 0.050 0.000 0.964 89 Q CA -0.716 55.116 55.803 0.048 0.000 0.844 89 Q CB 1.887 30.657 28.738 0.054 0.000 1.334 89 Q HN 0.576 nan 8.270 nan 0.000 0.423 90 I N 2.199 122.794 120.570 0.041 0.000 2.566 90 I HA 0.461 4.631 4.170 -0.000 0.000 0.303 90 I C -0.047 176.096 176.117 0.044 0.000 0.983 90 I CA -0.229 61.092 61.300 0.035 0.000 1.235 90 I CB 2.179 40.188 38.000 0.016 0.000 1.386 90 I HN 0.698 nan 8.210 nan 0.000 0.494 91 T N 6.323 120.904 114.554 0.045 0.000 2.847 91 T HA 0.581 4.931 4.350 -0.000 0.000 0.291 91 T C -0.569 174.131 174.700 -0.001 0.000 0.998 91 T CA -0.367 61.765 62.100 0.053 0.000 0.967 91 T CB 0.557 69.483 68.868 0.096 0.000 0.954 91 T HN 0.140 nan 8.240 nan 0.000 0.441 92 L N 3.859 125.060 121.223 -0.036 0.000 2.272 92 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 92 L C 0.776 177.457 176.870 -0.316 0.000 1.045 92 L CA -0.389 54.321 54.840 -0.217 0.000 0.842 92 L CB 0.733 42.672 42.059 -0.200 0.000 1.224 92 L HN 0.565 nan 8.230 nan 0.000 0.430 93 T N 2.270 116.541 114.554 -0.472 0.000 2.913 93 T HA 0.596 4.946 4.350 -0.000 0.000 0.287 93 T C -0.166 174.141 174.700 -0.654 0.000 1.008 93 T CA 0.007 61.846 62.100 -0.435 0.000 1.067 93 T CB 0.857 69.350 68.868 -0.625 0.000 0.996 93 T HN 0.062 nan 8.240 nan 0.000 0.513 94 F N -0.097 119.736 119.950 -0.194 0.000 2.712 94 F HA 0.474 5.001 4.527 -0.000 0.000 0.367 94 F C 0.656 176.400 175.800 -0.094 0.000 1.132 94 F CA -1.305 56.617 58.000 -0.131 0.000 1.066 94 F CB 0.811 39.766 39.000 -0.075 0.000 1.416 94 F HN 0.317 nan 8.300 nan 0.000 0.515 95 E N -0.134 120.168 120.200 0.169 0.000 2.374 95 E HA 0.138 4.488 4.350 -0.000 0.000 0.260 95 E C -0.474 176.183 176.600 0.094 0.000 1.101 95 E CA -0.318 56.136 56.400 0.091 0.000 0.907 95 E CB 0.871 30.615 29.700 0.073 0.000 1.014 95 E HN 0.334 nan 8.360 nan 0.000 0.427 96 S N -0.251 115.495 115.700 0.077 0.000 2.531 96 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 96 S C 1.051 175.704 174.600 0.088 0.000 1.305 96 S CA 0.692 58.942 58.200 0.083 0.000 1.058 96 S CB -0.100 63.152 63.200 0.087 0.000 0.899 96 S HN 0.687 nan 8.310 nan 0.000 0.493 97 G N 3.432 112.281 108.800 0.081 0.000 2.176 97 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 97 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 97 G C 0.279 175.208 174.900 0.047 0.000 0.979 97 G CA 0.294 45.440 45.100 0.077 0.000 0.641 97 G HN 0.849 nan 8.290 nan 0.000 0.530 98 T N 1.535 116.109 114.554 0.034 0.000 2.900 98 T HA 0.405 4.755 4.350 -0.000 0.000 0.307 98 T C 0.173 174.844 174.700 -0.048 0.000 1.065 98 T CA 0.193 62.289 62.100 -0.006 0.000 1.105 98 T CB 0.845 69.710 68.868 -0.005 0.000 0.979 98 T HN 0.217 nan 8.240 nan 0.000 0.544 99 D N 1.129 121.485 120.400 -0.074 0.000 2.417 99 D HA 0.342 4.982 4.640 -0.000 0.000 0.250 99 D C 0.854 177.060 176.300 -0.156 0.000 1.166 99 D CA 0.003 53.951 54.000 -0.087 0.000 0.881 99 D CB 0.828 41.584 40.800 -0.074 0.000 1.164 99 D HN 0.566 nan 8.370 nan 0.000 0.467 100 A N 3.037 125.786 122.820 -0.118 0.000 2.067 100 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 100 A C 1.656 179.162 177.584 -0.130 0.000 1.156 100 A CA 0.734 52.687 52.037 -0.140 0.000 0.683 100 A CB 0.057 19.015 19.000 -0.069 0.000 0.808 100 A HN 0.543 nan 8.150 nan 0.000 0.455 101 D N -0.834 119.508 120.400 -0.096 0.000 2.277 101 D HA -0.041 4.598 4.640 -0.000 0.000 0.208 101 D C 1.402 177.649 176.300 -0.088 0.000 0.962 101 D CA 0.976 54.932 54.000 -0.074 0.000 0.865 101 D CB 0.239 41.010 40.800 -0.048 0.000 0.939 101 D HN 0.467 nan 8.370 nan 0.000 0.510 102 I N 0.116 120.613 120.570 -0.123 0.000 3.616 102 I HA 0.106 4.276 4.170 -0.000 0.000 0.296 102 I C 2.017 178.020 176.117 -0.191 0.000 1.226 102 I CA 0.301 61.529 61.300 -0.120 0.000 1.394 102 I CB 0.120 38.066 38.000 -0.091 0.000 1.171 102 I HN -0.200 nan 8.210 nan 0.000 0.442 103 A N 0.185 122.790 122.820 -0.358 0.000 2.024 103 A HA -0.193 4.126 4.320 -0.000 0.000 0.220 103 A C 1.853 179.201 177.584 -0.394 0.000 1.164 103 A CA 1.216 52.819 52.037 -0.723 0.000 0.643 103 A CB -0.635 17.505 19.000 -1.433 0.000 0.806 103 A HN 0.596 nan 8.150 nan 0.000 0.451 104 Q N -1.294 118.378 119.800 -0.214 0.000 2.604 104 Q HA 0.261 4.601 4.340 -0.000 0.000 0.223 104 Q C 1.419 177.395 176.000 -0.042 0.000 1.169 104 Q CA 1.003 56.760 55.803 -0.076 0.000 1.059 104 Q CB 0.199 28.902 28.738 -0.058 0.000 2.962 104 Q HN 0.542 nan 8.270 nan 0.000 0.553 105 V N -2.054 117.848 119.914 -0.021 0.000 0.643 105 V HA -0.566 3.553 4.120 -0.000 0.000 0.092 105 V C 1.829 177.923 176.094 -0.001 0.000 1.388 105 V CA 2.622 64.913 62.300 -0.015 0.000 3.247 105 V CB -1.959 29.848 31.823 -0.027 0.000 0.496 105 V HN 0.879 nan 8.190 nan 0.000 0.497 106 Q N -0.319 119.482 119.800 0.002 0.000 2.118 106 Q HA -0.246 4.094 4.340 -0.000 0.000 0.211 106 Q C 2.105 178.127 176.000 0.037 0.000 0.998 106 Q CA 2.633 58.448 55.803 0.021 0.000 0.872 106 Q CB -0.389 28.370 28.738 0.035 0.000 0.925 106 Q HN 0.735 nan 8.270 nan 0.000 0.414 107 V N 1.558 121.508 119.914 0.060 0.000 2.332 107 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 107 V C 1.883 177.998 176.094 0.036 0.000 1.055 107 V CA 2.219 64.560 62.300 0.068 0.000 1.038 107 V CB -0.547 31.343 31.823 0.111 0.000 0.651 107 V HN 0.548 nan 8.190 nan 0.000 0.450 108 Q N -0.038 119.776 119.800 0.024 0.000 2.412 108 Q HA 0.545 4.885 4.340 -0.000 0.000 0.298 108 Q C -0.091 175.912 176.000 0.005 0.000 0.938 108 Q CA 0.489 56.299 55.803 0.012 0.000 0.968 108 Q CB 0.303 29.046 28.738 0.008 0.000 1.187 108 Q HN 0.407 nan 8.270 nan 0.000 0.421 109 A N 0.981 123.805 122.820 0.007 0.000 3.024 109 A HA 0.468 4.788 4.320 -0.000 0.000 0.251 109 A C -0.311 177.275 177.584 0.004 0.000 1.267 109 A CA -0.478 51.561 52.037 0.002 0.000 1.050 109 A CB 0.420 19.421 19.000 0.002 0.000 1.400 109 A HN 0.149 nan 8.150 nan 0.000 0.756 110 K N -1.056 119.345 120.400 0.002 0.000 1.531 110 K HA -0.042 4.277 4.320 -0.000 0.000 0.116 110 K C 1.091 177.690 176.600 -0.002 0.000 2.527 110 K CA 0.834 57.122 56.287 0.002 0.000 1.110 110 K CB -1.300 31.205 32.500 0.009 0.000 2.807 110 K HN 0.589 nan 8.250 nan 0.000 0.340 111 L N 1.973 123.197 121.223 0.001 0.000 2.012 111 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 111 L C 2.037 178.902 176.870 -0.009 0.000 1.073 111 L CA 2.113 56.951 54.840 -0.003 0.000 0.748 111 L CB -0.108 41.952 42.059 0.001 0.000 0.891 111 L HN 0.406 nan 8.230 nan 0.000 0.431 112 Q N 0.281 120.076 119.800 -0.008 0.000 2.488 112 Q HA -0.114 4.226 4.340 -0.000 0.000 0.211 112 Q C 1.768 177.761 176.000 -0.013 0.000 0.967 112 Q CA 0.697 56.492 55.803 -0.012 0.000 0.926 112 Q CB -0.008 28.723 28.738 -0.011 0.000 0.992 112 Q HN 0.678 nan 8.270 nan 0.000 0.506 113 L N -0.608 120.609 121.223 -0.011 0.000 2.627 113 L HA 0.184 4.523 4.340 -0.000 0.000 0.233 113 L C 1.410 178.271 176.870 -0.014 0.000 1.144 113 L CA 0.449 55.282 54.840 -0.011 0.000 0.892 113 L CB 0.030 42.084 42.059 -0.009 0.000 1.039 113 L HN 0.038 nan 8.230 nan 0.000 0.442 114 A N -1.553 121.257 122.820 -0.016 0.000 2.628 114 A HA 0.271 4.591 4.320 -0.000 0.000 0.267 114 A C 1.858 179.426 177.584 -0.027 0.000 1.159 114 A CA -0.264 51.761 52.037 -0.019 0.000 0.972 114 A CB 0.228 19.218 19.000 -0.016 0.000 1.211 114 A HN 0.073 nan 8.150 nan 0.000 0.576 115 M N 0.577 120.160 119.600 -0.029 0.000 2.175 115 M HA -0.001 4.478 4.480 -0.000 0.000 0.264 115 M C -1.094 175.179 176.300 -0.044 0.000 1.063 115 M CA 1.335 56.612 55.300 -0.038 0.000 1.119 115 M CB -1.637 30.941 32.600 -0.037 0.000 1.377 115 M HN 0.193 nan 8.290 nan 0.000 0.415 116 P HA 0.100 nan 4.420 nan 0.000 0.255 116 P C 0.904 178.183 177.300 -0.035 0.000 1.301 116 P CA 0.612 63.690 63.100 -0.036 0.000 0.817 116 P CB -0.287 31.396 31.700 -0.028 0.000 1.259 117 L N -1.322 119.880 121.223 -0.035 0.000 2.628 117 L HA 0.274 4.614 4.340 -0.000 0.000 0.229 117 L C 0.898 177.742 176.870 -0.043 0.000 1.137 117 L CA 0.217 55.038 54.840 -0.032 0.000 0.909 117 L CB -0.178 41.867 42.059 -0.024 0.000 1.137 117 L HN -0.021 nan 8.230 nan 0.000 0.470 118 L N -0.798 120.389 121.223 -0.061 0.000 2.298 118 L HA 0.538 4.878 4.340 -0.000 0.000 0.268 118 L C -1.941 174.857 176.870 -0.120 0.000 1.010 118 L CA -1.942 52.842 54.840 -0.094 0.000 0.812 118 L CB 0.430 42.425 42.059 -0.107 0.000 1.331 118 L HN -0.185 nan 8.230 nan 0.000 0.450 119 P HA 0.053 nan 4.420 nan 0.000 0.286 119 P C -0.409 176.780 177.300 -0.185 0.000 1.278 119 P CA -0.145 62.824 63.100 -0.219 0.000 0.785 119 P CB 0.381 31.802 31.700 -0.465 0.000 1.269 120 Q N -1.425 118.277 119.800 -0.162 0.000 2.580 120 Q HA 0.056 4.396 4.340 -0.000 0.000 0.239 120 Q C 1.712 177.625 176.000 -0.145 0.000 0.873 120 Q CA -0.019 55.707 55.803 -0.128 0.000 0.951 120 Q CB -0.560 28.133 28.738 -0.076 0.000 1.172 120 Q HN 0.178 nan 8.270 nan 0.000 0.616 121 E N 1.243 121.383 120.200 -0.100 0.000 2.332 121 E HA -0.251 4.099 4.350 -0.000 0.000 0.223 121 E C 1.768 178.299 176.600 -0.115 0.000 1.095 121 E CA 2.032 58.410 56.400 -0.037 0.000 0.897 121 E CB -0.235 29.524 29.700 0.099 0.000 0.763 121 E HN 0.173 nan 8.360 nan 0.000 0.464 122 V N -0.806 118.948 119.914 -0.267 0.000 2.672 122 V HA -0.099 4.021 4.120 -0.000 0.000 0.242 122 V C 2.111 178.109 176.094 -0.160 0.000 1.059 122 V CA 1.068 63.239 62.300 -0.215 0.000 1.081 122 V CB -0.080 31.556 31.823 -0.312 0.000 0.752 122 V HN 0.184 nan 8.190 nan 0.000 0.472 123 Q N 0.277 119.978 119.800 -0.165 0.000 2.002 123 Q HA -0.301 4.039 4.340 -0.000 0.000 0.204 123 Q C 2.261 178.173 176.000 -0.147 0.000 0.988 123 Q CA 2.487 58.211 55.803 -0.132 0.000 0.843 123 Q CB -0.150 28.519 28.738 -0.115 0.000 0.908 123 Q HN 0.836 nan 8.270 nan 0.000 0.420 124 Q N -0.079 119.600 119.800 -0.202 0.000 2.437 124 Q HA -0.086 4.254 4.340 -0.000 0.000 0.210 124 Q C 0.473 176.251 176.000 -0.371 0.000 0.972 124 Q CA 0.384 56.011 55.803 -0.292 0.000 0.903 124 Q CB 0.028 28.531 28.738 -0.392 0.000 0.967 124 Q HN 0.107 nan 8.270 nan 0.000 0.486 125 Q N 1.174 120.808 119.800 -0.276 0.000 2.443 125 Q HA 0.326 4.666 4.340 -0.000 0.000 0.232 125 Q C -0.191 175.758 176.000 -0.086 0.000 1.026 125 Q CA 0.476 56.185 55.803 -0.157 0.000 0.924 125 Q CB 0.971 29.675 28.738 -0.056 0.000 1.256 125 Q HN 0.393 nan 8.270 nan 0.000 0.519 126 G N 1.360 110.142 108.800 -0.029 0.000 2.428 126 G HA2 0.349 4.309 3.960 -0.000 0.000 0.293 126 G HA3 0.349 4.309 3.960 -0.000 0.000 0.293 126 G C -0.680 174.211 174.900 -0.014 0.000 1.059 126 G CA -0.404 44.687 45.100 -0.016 0.000 1.194 126 G HN 0.394 nan 8.290 nan 0.000 0.435 127 V N 1.972 121.871 119.914 -0.024 0.000 2.607 127 V HA 0.612 4.732 4.120 -0.000 0.000 0.289 127 V C 0.543 176.632 176.094 -0.008 0.000 1.053 127 V CA -0.320 61.970 62.300 -0.016 0.000 0.996 127 V CB 1.578 33.386 31.823 -0.024 0.000 0.995 127 V HN 0.620 nan 8.190 nan 0.000 0.476 128 S N 2.337 118.037 115.700 0.000 0.000 2.689 128 S HA 0.437 4.907 4.470 -0.000 0.000 0.274 128 S C -0.796 173.812 174.600 0.013 0.000 1.176 128 S CA -0.444 57.759 58.200 0.005 0.000 1.014 128 S CB 1.690 64.894 63.200 0.006 0.000 1.071 128 S HN 0.463 nan 8.310 nan 0.000 0.478 129 V N 4.538 124.460 119.914 0.013 0.000 2.370 129 V HA 0.565 4.685 4.120 -0.000 0.000 0.279 129 V C 0.042 176.149 176.094 0.021 0.000 1.029 129 V CA -0.268 62.045 62.300 0.021 0.000 0.870 129 V CB 1.183 33.018 31.823 0.020 0.000 0.984 129 V HN 0.867 nan 8.190 nan 0.000 0.451 130 E N 3.106 123.323 120.200 0.029 0.000 2.456 130 E HA 0.583 4.932 4.350 -0.000 0.000 0.276 130 E C -1.404 175.217 176.600 0.035 0.000 0.981 130 E CA -1.266 55.151 56.400 0.028 0.000 0.814 130 E CB 2.360 32.078 29.700 0.031 0.000 1.382 130 E HN 0.455 nan 8.360 nan 0.000 0.459 131 K N 0.687 121.106 120.400 0.032 0.000 2.183 131 K HA 0.426 4.746 4.320 -0.000 0.000 0.274 131 K C -0.679 175.949 176.600 0.046 0.000 1.009 131 K CA -0.299 56.009 56.287 0.035 0.000 0.888 131 K CB 1.797 34.310 32.500 0.022 0.000 1.078 131 K HN 0.256 nan 8.250 nan 0.000 0.459 132 S N 1.101 116.834 115.700 0.054 0.000 2.593 132 S HA 0.577 5.047 4.470 -0.000 0.000 0.297 132 S C -0.885 173.745 174.600 0.050 0.000 1.112 132 S CA -0.523 57.711 58.200 0.058 0.000 1.043 132 S CB 0.915 64.157 63.200 0.069 0.000 1.054 132 S HN 0.433 nan 8.310 nan 0.000 0.516 133 S N 2.252 117.974 115.700 0.038 0.000 2.417 133 S HA 0.157 4.626 4.470 -0.000 0.000 0.189 133 S C -0.764 173.825 174.600 -0.017 0.000 1.005 133 S CA -0.548 57.666 58.200 0.022 0.000 1.116 133 S CB 0.972 64.191 63.200 0.032 0.000 1.343 133 S HN 0.732 nan 8.310 nan 0.000 0.406 134 S N 3.680 119.368 115.700 -0.019 0.000 2.945 134 S HA 0.332 4.802 4.470 -0.000 0.000 0.344 134 S C 0.150 174.639 174.600 -0.184 0.000 1.066 134 S CA 0.808 58.969 58.200 -0.066 0.000 1.721 134 S CB -1.111 62.055 63.200 -0.056 0.000 1.330 134 S HN 1.179 nan 8.310 nan 0.000 0.623 135 S N 2.912 118.463 115.700 -0.248 0.000 2.754 135 S HA 0.305 4.775 4.470 -0.000 0.000 0.277 135 S C -1.003 173.366 174.600 -0.385 0.000 0.859 135 S CA -1.110 56.916 58.200 -0.291 0.000 1.014 135 S CB -0.269 62.867 63.200 -0.107 0.000 1.276 135 S HN 0.416 nan 8.310 nan 0.000 0.466 136 F N 0.847 120.826 119.950 0.047 0.000 2.585 136 F HA 0.864 5.390 4.527 -0.000 0.000 0.350 136 F C 1.158 176.958 175.800 0.000 0.000 1.074 136 F CA -0.781 57.195 58.000 -0.040 0.000 1.032 136 F CB 0.890 39.750 39.000 -0.233 0.000 1.330 136 F HN 0.756 nan 8.300 nan 0.000 0.495 137 L N -1.653 119.720 121.223 0.250 0.000 3.821 137 L HA 0.451 4.791 4.340 -0.000 0.000 0.188 137 L C -0.015 176.991 176.870 0.227 0.000 1.156 137 L CA -0.733 54.261 54.840 0.256 0.000 0.888 137 L CB -0.136 42.040 42.059 0.194 0.000 1.614 137 L HN 0.245 nan 8.230 nan 0.000 0.671 138 M N 2.915 122.610 119.600 0.159 0.000 2.217 138 M HA 0.309 4.789 4.480 -0.000 0.000 0.352 138 M C -1.148 175.177 176.300 0.041 0.000 1.376 138 M CA 0.047 55.420 55.300 0.121 0.000 1.107 138 M CB 1.187 33.857 32.600 0.117 0.000 1.723 138 M HN 0.174 nan 8.290 nan 0.000 0.461 139 V N 5.380 125.274 119.914 -0.032 0.000 2.409 139 V HA 0.279 4.398 4.120 -0.000 0.000 0.290 139 V C -0.241 175.700 176.094 -0.255 0.000 1.017 139 V CA -0.800 61.376 62.300 -0.207 0.000 0.841 139 V CB 1.738 33.297 31.823 -0.440 0.000 1.003 139 V HN 0.589 nan 8.190 nan 0.000 0.426 140 V N 4.418 124.196 119.914 -0.226 0.000 2.320 140 V HA 0.511 4.631 4.120 -0.000 0.000 0.265 140 V C 1.167 177.039 176.094 -0.370 0.000 1.048 140 V CA -0.292 61.831 62.300 -0.296 0.000 0.865 140 V CB 0.943 32.653 31.823 -0.188 0.000 1.043 140 V HN 0.895 nan 8.190 nan 0.000 0.474 141 G N 3.586 112.075 108.800 -0.519 0.000 2.544 141 G HA2 0.443 4.403 3.960 -0.000 0.000 0.242 141 G HA3 0.443 4.403 3.960 -0.000 0.000 0.242 141 G C -0.597 174.089 174.900 -0.356 0.000 1.247 141 G CA -0.110 44.723 45.100 -0.445 0.000 0.840 141 G HN 0.625 nan 8.290 nan 0.000 0.578 142 V N 2.642 122.425 119.914 -0.218 0.000 2.567 142 V HA 0.465 4.584 4.120 -0.000 0.000 0.298 142 V C 0.034 176.058 176.094 -0.117 0.000 1.047 142 V CA -0.491 61.699 62.300 -0.183 0.000 0.880 142 V CB 0.847 32.575 31.823 -0.159 0.000 1.009 142 V HN 0.896 nan 8.190 nan 0.000 0.429 143 I N 1.129 121.637 120.570 -0.103 0.000 3.457 143 I HA 0.771 4.941 4.170 -0.000 0.000 0.307 143 I C -0.777 175.333 176.117 -0.011 0.000 1.138 143 I CA -0.722 60.563 61.300 -0.025 0.000 0.974 143 I CB 2.423 40.445 38.000 0.037 0.000 1.324 143 I HN 0.466 nan 8.210 nan 0.000 0.485 144 N N -0.165 118.546 118.700 0.019 0.000 2.225 144 N HA 0.452 5.192 4.740 -0.000 0.000 0.298 144 N C -0.412 175.121 175.510 0.038 0.000 1.076 144 N CA 0.185 53.247 53.050 0.020 0.000 0.792 144 N CB 2.472 40.964 38.487 0.008 0.000 1.498 144 N HN 0.966 nan 8.380 nan 0.000 0.474 145 T N -0.788 113.789 114.554 0.039 0.000 3.174 145 T HA 0.136 4.486 4.350 -0.000 0.000 0.252 145 T C 0.832 175.551 174.700 0.032 0.000 0.984 145 T CA 0.289 62.414 62.100 0.042 0.000 1.113 145 T CB 0.067 68.965 68.868 0.050 0.000 1.088 145 T HN 0.362 nan 8.240 nan 0.000 0.442 146 D N 1.748 122.166 120.400 0.031 0.000 2.173 146 D HA 0.366 5.006 4.640 -0.000 0.000 0.296 146 D C 1.294 177.606 176.300 0.020 0.000 1.140 146 D CA 0.768 54.783 54.000 0.025 0.000 0.952 146 D CB -0.597 40.219 40.800 0.027 0.000 1.021 146 D HN 0.449 nan 8.370 nan 0.000 0.344 147 G N 0.642 109.452 108.800 0.017 0.000 2.515 147 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.293 147 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.293 147 G C -0.034 174.872 174.900 0.009 0.000 0.686 147 G CA 0.580 45.686 45.100 0.011 0.000 1.463 147 G HN 0.273 nan 8.290 nan 0.000 0.310 148 T N 3.964 118.525 114.554 0.012 0.000 2.901 148 T HA 0.459 4.809 4.350 -0.000 0.000 0.301 148 T C 0.731 175.438 174.700 0.012 0.000 1.012 148 T CA 0.208 62.316 62.100 0.013 0.000 1.135 148 T CB 0.931 69.808 68.868 0.015 0.000 0.936 148 T HN 0.700 nan 8.240 nan 0.000 0.539 149 M N 0.693 120.299 119.600 0.011 0.000 2.779 149 M HA 0.660 5.140 4.480 -0.000 0.000 0.277 149 M C -0.436 175.874 176.300 0.018 0.000 1.284 149 M CA -1.085 54.224 55.300 0.014 0.000 0.801 149 M CB 1.880 34.482 32.600 0.002 0.000 1.712 149 M HN 0.567 nan 8.290 nan 0.000 0.453 150 T N -0.727 113.843 114.554 0.027 0.000 2.944 150 T HA 0.421 4.771 4.350 -0.000 0.000 0.284 150 T C -0.093 174.616 174.700 0.015 0.000 1.010 150 T CA -0.660 61.458 62.100 0.030 0.000 1.025 150 T CB 1.084 69.986 68.868 0.056 0.000 1.079 150 T HN 0.801 nan 8.240 nan 0.000 0.516 151 Q N 1.112 120.921 119.800 0.014 0.000 2.815 151 Q HA 0.432 4.771 4.340 -0.000 0.000 0.235 151 Q C -0.128 175.869 176.000 -0.004 0.000 1.354 151 Q CA -0.277 55.526 55.803 -0.001 0.000 0.953 151 Q CB 0.229 28.966 28.738 -0.002 0.000 1.613 151 Q HN 0.840 nan 8.270 nan 0.000 0.572 152 E N 0.623 120.801 120.200 -0.037 0.000 1.474 152 E HA -0.098 4.251 4.350 -0.000 0.000 0.228 152 E C 0.439 176.907 176.600 -0.221 0.000 1.061 152 E CA 0.501 56.860 56.400 -0.068 0.000 1.329 152 E CB -0.633 29.110 29.700 0.071 0.000 4.423 152 E HN 0.434 nan 8.360 nan 0.000 0.784 153 D N 0.591 120.930 120.400 -0.101 0.000 2.144 153 D HA -0.005 4.635 4.640 -0.000 0.000 0.200 153 D C 1.935 178.143 176.300 -0.152 0.000 0.978 153 D CA 1.318 55.237 54.000 -0.135 0.000 0.833 153 D CB 0.174 40.993 40.800 0.031 0.000 0.961 153 D HN 0.282 nan 8.370 nan 0.000 0.470 154 I N 1.143 121.660 120.570 -0.089 0.000 2.286 154 I HA -0.227 3.942 4.170 -0.000 0.000 0.245 154 I C 2.583 178.657 176.117 -0.071 0.000 1.104 154 I CA 0.842 62.113 61.300 -0.050 0.000 1.397 154 I CB -0.170 37.808 38.000 -0.037 0.000 1.072 154 I HN -0.040 nan 8.210 nan 0.000 0.417 155 S N 0.160 115.794 115.700 -0.110 0.000 2.419 155 S HA -0.258 4.212 4.470 -0.000 0.000 0.233 155 S C 1.637 176.140 174.600 -0.161 0.000 1.016 155 S CA 1.613 59.746 58.200 -0.112 0.000 0.974 155 S CB -0.540 62.594 63.200 -0.109 0.000 0.786 155 S HN 0.552 nan 8.310 nan 0.000 0.492 156 D N 0.357 120.591 120.400 -0.276 0.000 2.103 156 D HA -0.179 4.461 4.640 -0.000 0.000 0.199 156 D C 1.830 178.077 176.300 -0.088 0.000 0.978 156 D CA 0.924 54.748 54.000 -0.294 0.000 0.829 156 D CB -0.523 39.835 40.800 -0.738 0.000 0.981 156 D HN 0.416 nan 8.370 nan 0.000 0.464 157 Y N 0.433 120.624 120.300 -0.182 0.000 2.352 157 Y HA -0.016 4.534 4.550 -0.000 0.000 0.292 157 Y C 1.995 177.831 175.900 -0.107 0.000 1.136 157 Y CA 0.756 58.787 58.100 -0.115 0.000 1.227 157 Y CB -0.287 38.101 38.460 -0.120 0.000 0.991 157 Y HN -0.059 nan 8.280 nan 0.000 0.545 158 V N -0.101 119.703 119.914 -0.184 0.000 2.427 158 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 158 V C 2.212 178.201 176.094 -0.176 0.000 1.051 158 V CA 1.764 63.930 62.300 -0.224 0.000 1.048 158 V CB -1.161 30.587 31.823 -0.125 0.000 0.666 158 V HN 0.485 nan 8.190 nan 0.000 0.456 159 A N -1.033 121.712 122.820 -0.124 0.000 2.415 159 A HA 0.664 4.984 4.320 -0.000 0.000 0.248 159 A C 1.195 178.736 177.584 -0.072 0.000 1.299 159 A CA 0.670 52.654 52.037 -0.088 0.000 0.899 159 A CB -0.090 18.868 19.000 -0.069 0.000 0.997 159 A HN 0.541 nan 8.150 nan 0.000 0.506 160 A N -0.274 122.491 122.820 -0.091 0.000 2.806 160 A HA 0.554 4.874 4.320 -0.000 0.000 0.266 160 A C 0.190 177.726 177.584 -0.080 0.000 0.926 160 A CA 0.305 52.316 52.037 -0.044 0.000 1.068 160 A CB -0.305 18.712 19.000 0.029 0.000 1.189 160 A HN 0.479 nan 8.150 nan 0.000 0.481 161 N N -1.151 117.462 118.700 -0.144 0.000 2.494 161 N HA -0.088 4.652 4.740 -0.000 0.000 0.313 161 N C 1.122 176.553 175.510 -0.131 0.000 0.668 161 N CA 1.093 54.043 53.050 -0.167 0.000 0.625 161 N CB -0.316 37.944 38.487 -0.379 0.000 2.428 161 N HN 0.206 nan 8.380 nan 0.000 1.253 162 M N -0.914 118.594 119.600 -0.154 0.000 2.564 162 M HA 0.377 4.857 4.480 -0.000 0.000 0.254 162 M C 1.749 178.013 176.300 -0.060 0.000 1.299 162 M CA 0.093 55.341 55.300 -0.086 0.000 1.143 162 M CB 0.122 32.673 32.600 -0.081 0.000 1.427 162 M HN 0.037 nan 8.290 nan 0.000 0.538 163 K N 1.471 121.827 120.400 -0.073 0.000 2.097 163 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 163 K C 1.032 177.613 176.600 -0.031 0.000 1.050 163 K CA 2.137 58.395 56.287 -0.047 0.000 0.938 163 K CB 0.042 32.510 32.500 -0.053 0.000 0.718 163 K HN 0.166 nan 8.250 nan 0.000 0.442 164 D N 0.173 120.552 120.400 -0.035 0.000 2.178 164 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 164 D C 1.628 177.917 176.300 -0.018 0.000 0.980 164 D CA 1.244 55.229 54.000 -0.024 0.000 0.842 164 D CB 0.030 40.814 40.800 -0.027 0.000 0.948 164 D HN 0.363 nan 8.370 nan 0.000 0.472 165 A N 0.187 122.995 122.820 -0.020 0.000 1.840 165 A HA -0.089 4.230 4.320 -0.000 0.000 0.214 165 A C 2.029 179.612 177.584 -0.000 0.000 1.198 165 A CA 0.713 52.743 52.037 -0.011 0.000 0.608 165 A CB -0.679 18.313 19.000 -0.013 0.000 0.839 165 A HN 0.071 nan 8.150 nan 0.000 0.443 166 I N 1.418 121.990 120.570 0.002 0.000 2.113 166 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 166 I C 2.951 179.078 176.117 0.017 0.000 1.064 166 I CA 2.277 63.585 61.300 0.014 0.000 1.320 166 I CB -0.792 37.216 38.000 0.014 0.000 1.028 166 I HN 0.508 nan 8.210 nan 0.000 0.406 167 S N 0.938 116.645 115.700 0.011 0.000 2.400 167 S HA -0.260 4.210 4.470 -0.000 0.000 0.232 167 S C 2.109 176.718 174.600 0.015 0.000 1.025 167 S CA 1.334 59.543 58.200 0.015 0.000 0.993 167 S CB -0.703 62.502 63.200 0.008 0.000 0.808 167 S HN 0.642 nan 8.310 nan 0.000 0.478 168 R N 1.027 121.532 120.500 0.009 0.000 2.127 168 R HA 0.097 4.436 4.340 -0.000 0.000 0.217 168 R C 0.683 176.989 176.300 0.011 0.000 1.074 168 R CA 0.884 56.989 56.100 0.008 0.000 0.991 168 R CB -0.943 29.358 30.300 0.002 0.000 0.895 168 R HN 0.263 nan 8.270 nan 0.000 0.450 169 T N 2.087 116.649 114.554 0.014 0.000 2.906 169 T HA -0.049 4.300 4.350 -0.000 0.000 0.320 169 T C 0.002 174.715 174.700 0.022 0.000 1.088 169 T CA 1.050 63.160 62.100 0.017 0.000 1.120 169 T CB 0.597 69.477 68.868 0.020 0.000 1.000 169 T HN 0.629 nan 8.240 nan 0.000 0.550 170 S N 2.100 117.813 115.700 0.020 0.000 3.290 170 S HA -0.155 4.315 4.470 -0.000 0.000 0.255 170 S C 0.902 175.518 174.600 0.028 0.000 0.721 170 S CA 0.434 58.648 58.200 0.023 0.000 1.365 170 S CB -2.170 61.046 63.200 0.026 0.000 0.903 170 S HN 2.038 nan 8.310 nan 0.000 0.410 171 G N 0.327 109.141 108.800 0.024 0.000 2.352 171 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.283 171 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.283 171 G C -0.022 174.899 174.900 0.035 0.000 0.946 171 G CA -0.121 44.994 45.100 0.026 0.000 1.317 171 G HN 1.558 nan 8.290 nan 0.000 0.478 172 V N 1.332 121.268 119.914 0.036 0.000 2.465 172 V HA 0.583 4.702 4.120 -0.000 0.000 0.279 172 V C 1.830 177.951 176.094 0.044 0.000 1.045 172 V CA 0.543 62.871 62.300 0.046 0.000 0.938 172 V CB 1.202 33.053 31.823 0.046 0.000 0.986 172 V HN 0.666 nan 8.190 nan 0.000 0.467 173 G N 4.400 113.232 108.800 0.054 0.000 2.616 173 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.215 173 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.215 173 G C 0.135 175.065 174.900 0.049 0.000 1.284 173 G CA 1.097 46.226 45.100 0.050 0.000 0.823 173 G HN 0.894 nan 8.290 nan 0.000 0.569 174 D N -2.182 118.256 120.400 0.064 0.000 2.859 174 D HA 0.467 5.107 4.640 -0.000 0.000 0.223 174 D C -0.979 175.366 176.300 0.076 0.000 1.218 174 D CA -0.785 53.249 54.000 0.057 0.000 0.850 174 D CB 2.153 42.983 40.800 0.050 0.000 1.656 174 D HN 0.168 nan 8.370 nan 0.000 0.484 175 V N 1.188 121.129 119.914 0.044 0.000 2.539 175 V HA 0.524 4.644 4.120 -0.000 0.000 0.292 175 V C -0.347 175.735 176.094 -0.020 0.000 1.045 175 V CA -0.468 61.850 62.300 0.030 0.000 0.945 175 V CB 1.405 33.232 31.823 0.007 0.000 0.993 175 V HN 0.659 nan 8.190 nan 0.000 0.464 176 Q N 3.277 123.035 119.800 -0.071 0.000 2.333 176 Q HA 0.470 4.809 4.340 -0.000 0.000 0.268 176 Q C -1.028 174.748 176.000 -0.373 0.000 1.007 176 Q CA -0.241 55.420 55.803 -0.236 0.000 0.810 176 Q CB 1.579 30.146 28.738 -0.285 0.000 1.264 176 Q HN 0.736 nan 8.270 nan 0.000 0.452 177 L N 4.238 125.282 121.223 -0.298 0.000 2.426 177 L HA 0.222 4.562 4.340 -0.000 0.000 0.271 177 L C -0.453 176.195 176.870 -0.370 0.000 1.169 177 L CA 0.131 54.832 54.840 -0.231 0.000 0.836 177 L CB 0.369 42.343 42.059 -0.141 0.000 1.112 177 L HN 0.819 nan 8.230 nan 0.000 0.465 178 F N 3.197 123.132 119.950 -0.025 0.000 2.611 178 F HA 0.393 4.920 4.527 -0.000 0.000 0.321 178 F C 0.872 176.654 175.800 -0.030 0.000 1.208 178 F CA 0.234 58.242 58.000 0.013 0.000 1.249 178 F CB 0.514 39.601 39.000 0.144 0.000 1.514 178 F HN 0.641 nan 8.300 nan 0.000 0.561 179 G N -0.245 108.564 108.800 0.016 0.000 2.534 179 G HA2 0.323 4.283 3.960 -0.000 0.000 0.142 179 G HA3 0.323 4.283 3.960 -0.000 0.000 0.142 179 G C -1.331 173.509 174.900 -0.099 0.000 1.178 179 G CA -0.194 44.884 45.100 -0.035 0.000 1.037 179 G HN 0.315 nan 8.290 nan 0.000 0.474 180 S N -0.975 114.651 115.700 -0.124 0.000 2.537 180 S HA 0.550 5.020 4.470 -0.000 0.000 0.271 180 S C -0.755 173.768 174.600 -0.128 0.000 1.148 180 S CA 0.310 58.432 58.200 -0.129 0.000 0.868 180 S CB 1.609 64.709 63.200 -0.166 0.000 1.115 180 S HN 1.056 nan 8.310 nan 0.000 0.461 181 Q N 2.424 122.180 119.800 -0.075 0.000 2.373 181 Q HA 0.292 4.631 4.340 -0.000 0.000 0.255 181 Q C -0.968 175.058 176.000 0.043 0.000 0.980 181 Q CA -0.198 55.580 55.803 -0.041 0.000 0.882 181 Q CB 0.307 29.048 28.738 0.005 0.000 1.249 181 Q HN 0.684 nan 8.270 nan 0.000 0.438 182 Y N 0.962 121.273 120.300 0.019 0.000 2.459 182 Y HA 0.334 4.884 4.550 -0.000 0.000 0.349 182 Y C 0.213 176.169 175.900 0.093 0.000 1.266 182 Y CA 0.211 58.337 58.100 0.043 0.000 1.483 182 Y CB 0.851 39.355 38.460 0.074 0.000 1.362 182 Y HN 0.729 nan 8.280 nan 0.000 0.628 183 A N 2.321 125.311 122.820 0.283 0.000 2.589 183 A HA 0.489 4.809 4.320 -0.000 0.000 0.296 183 A C -1.181 176.360 177.584 -0.072 0.000 1.062 183 A CA -0.968 51.184 52.037 0.192 0.000 0.686 183 A CB 0.977 20.084 19.000 0.179 0.000 1.282 183 A HN 0.644 nan 8.150 nan 0.000 0.404 184 M N 1.951 121.307 119.600 -0.406 0.000 2.685 184 M HA 0.296 4.775 4.480 -0.000 0.000 0.316 184 M C 0.179 176.101 176.300 -0.630 0.000 1.523 184 M CA 0.296 55.085 55.300 -0.852 0.000 1.472 184 M CB -0.881 30.589 32.600 -1.884 0.000 1.525 184 M HN 0.569 nan 8.290 nan 0.000 0.471 185 R N 4.000 124.217 120.500 -0.471 0.000 2.410 185 R HA 0.678 5.018 4.340 -0.000 0.000 0.288 185 R C -1.294 174.533 176.300 -0.789 0.000 1.051 185 R CA -0.083 55.667 56.100 -0.584 0.000 1.021 185 R CB 0.609 30.616 30.300 -0.489 0.000 1.032 185 R HN 0.765 nan 8.270 nan 0.000 0.481 186 I N 3.389 123.411 120.570 -0.914 0.000 2.499 186 I HA 0.310 4.480 4.170 -0.000 0.000 0.288 186 I C -1.022 174.697 176.117 -0.663 0.000 1.048 186 I CA -0.550 60.347 61.300 -0.671 0.000 1.062 186 I CB 1.872 39.662 38.000 -0.350 0.000 1.238 186 I HN 0.586 nan 8.210 nan 0.000 0.426 187 W N 7.127 128.426 121.300 -0.001 0.000 2.406 187 W HA 0.520 5.180 4.660 -0.000 0.000 0.308 187 W C -0.256 176.282 176.519 0.033 0.000 0.965 187 W CA -0.718 56.638 57.345 0.018 0.000 1.589 187 W CB 0.580 30.043 29.460 0.005 0.000 1.417 187 W HN 0.158 nan 8.180 nan 0.000 0.415 188 M N 3.117 122.843 119.600 0.211 0.000 2.269 188 M HA -0.010 4.469 4.480 -0.000 0.000 0.350 188 M C 0.583 176.918 176.300 0.059 0.000 1.429 188 M CA 0.668 56.056 55.300 0.147 0.000 1.063 188 M CB 0.211 32.932 32.600 0.201 0.000 1.841 188 M HN 0.277 nan 8.290 nan 0.000 0.455 189 N N 5.240 123.893 118.700 -0.078 0.000 2.419 189 N HA 0.232 4.972 4.740 -0.000 0.000 0.264 189 N C -1.980 173.207 175.510 -0.538 0.000 1.031 189 N CA -1.606 51.221 53.050 -0.372 0.000 0.951 189 N CB 1.462 39.829 38.487 -0.200 0.000 1.101 189 N HN 0.324 nan 8.380 nan 0.000 0.488 190 P HA 0.051 nan 4.420 nan 0.000 0.231 190 P C 0.481 177.478 177.300 -0.505 0.000 1.168 190 P CA 0.691 63.208 63.100 -0.972 0.000 0.779 190 P CB 0.623 31.204 31.700 -1.865 0.000 0.844 191 N N 0.200 118.602 118.700 -0.495 0.000 2.250 191 N HA -0.072 4.667 4.740 -0.000 0.000 0.181 191 N C 1.450 176.889 175.510 -0.120 0.000 1.017 191 N CA 0.965 53.886 53.050 -0.216 0.000 0.866 191 N CB -0.479 37.911 38.487 -0.160 0.000 0.985 191 N HN 0.224 nan 8.380 nan 0.000 0.429 192 E N 0.494 120.634 120.200 -0.099 0.000 2.502 192 E HA 0.066 4.415 4.350 -0.000 0.000 0.194 192 E C 1.670 178.364 176.600 0.156 0.000 1.062 192 E CA -0.029 56.409 56.400 0.062 0.000 0.867 192 E CB 0.288 30.049 29.700 0.102 0.000 0.888 192 E HN 0.383 nan 8.360 nan 0.000 0.510 193 L N 0.469 121.718 121.223 0.044 0.000 2.102 193 L HA -0.038 4.302 4.340 -0.000 0.000 0.202 193 L C 2.323 179.261 176.870 0.113 0.000 1.076 193 L CA 0.701 55.602 54.840 0.103 0.000 0.761 193 L CB -0.314 41.792 42.059 0.079 0.000 0.921 193 L HN 0.152 nan 8.230 nan 0.000 0.444 194 N N 0.420 119.148 118.700 0.047 0.000 2.381 194 N HA -0.231 4.509 4.740 -0.000 0.000 0.182 194 N C 1.822 177.270 175.510 -0.103 0.000 1.025 194 N CA 0.568 53.597 53.050 -0.035 0.000 0.888 194 N CB 0.253 38.648 38.487 -0.152 0.000 0.965 194 N HN 0.188 nan 8.380 nan 0.000 0.438 195 K N -0.190 120.148 120.400 -0.104 0.000 2.097 195 K HA -0.078 4.241 4.320 -0.000 0.000 0.205 195 K C 0.417 176.740 176.600 -0.461 0.000 1.050 195 K CA 1.270 57.373 56.287 -0.306 0.000 0.938 195 K CB 0.052 32.322 32.500 -0.384 0.000 0.718 195 K HN 0.133 nan 8.250 nan 0.000 0.442 196 F N 0.997 120.926 119.950 -0.035 0.000 2.653 196 F HA 0.276 4.803 4.527 -0.000 0.000 0.304 196 F C -0.740 175.052 175.800 -0.012 0.000 1.092 196 F CA -0.580 57.407 58.000 -0.021 0.000 1.279 196 F CB 0.256 39.248 39.000 -0.013 0.000 1.044 196 F HN -0.060 nan 8.300 nan 0.000 0.564 197 Q N 1.303 121.170 119.800 0.112 0.000 2.397 197 Q HA -0.093 4.247 4.340 -0.000 0.000 0.352 197 Q C -1.112 174.957 176.000 0.115 0.000 1.363 197 Q CA 0.421 56.274 55.803 0.082 0.000 0.937 197 Q CB -1.223 27.546 28.738 0.051 0.000 1.084 197 Q HN 0.467 nan 8.270 nan 0.000 0.314 198 L N 0.183 121.484 121.223 0.129 0.000 2.775 198 L HA 0.748 5.088 4.340 -0.000 0.000 0.263 198 L C -0.204 176.763 176.870 0.162 0.000 1.017 198 L CA -0.600 54.318 54.840 0.130 0.000 0.891 198 L CB 2.570 44.700 42.059 0.119 0.000 1.482 198 L HN 0.568 nan 8.230 nan 0.000 0.410 199 T N -3.331 111.317 114.554 0.156 0.000 2.864 199 T HA 0.474 4.824 4.350 -0.000 0.000 0.289 199 T C -2.540 172.263 174.700 0.171 0.000 1.082 199 T CA -1.705 60.514 62.100 0.198 0.000 1.009 199 T CB 1.948 70.929 68.868 0.188 0.000 1.234 199 T HN 0.273 nan 8.240 nan 0.000 0.526 200 P HA 0.052 nan 4.420 nan 0.000 0.226 200 P C 1.427 178.781 177.300 0.090 0.000 1.153 200 P CA 0.230 63.411 63.100 0.134 0.000 0.777 200 P CB -0.118 31.647 31.700 0.110 0.000 0.794 201 V N 0.112 120.082 119.914 0.093 0.000 2.667 201 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 201 V C 1.832 177.960 176.094 0.057 0.000 1.065 201 V CA 1.750 64.092 62.300 0.069 0.000 1.083 201 V CB -0.924 30.941 31.823 0.071 0.000 0.692 201 V HN 0.165 nan 8.190 nan 0.000 0.468 202 D N 0.210 120.648 120.400 0.064 0.000 2.249 202 D HA -0.051 4.588 4.640 -0.000 0.000 0.205 202 D C 2.130 178.451 176.300 0.035 0.000 0.962 202 D CA 1.039 55.067 54.000 0.048 0.000 0.860 202 D CB 0.324 41.156 40.800 0.053 0.000 0.955 202 D HN 0.407 nan 8.370 nan 0.000 0.505 203 V N 1.334 121.273 119.914 0.042 0.000 2.323 203 V HA -0.167 3.953 4.120 -0.000 0.000 0.244 203 V C 2.573 178.680 176.094 0.021 0.000 1.041 203 V CA 0.884 63.200 62.300 0.027 0.000 1.025 203 V CB -0.422 31.422 31.823 0.034 0.000 0.656 203 V HN 0.095 nan 8.190 nan 0.000 0.451 204 I N 0.655 121.240 120.570 0.026 0.000 2.208 204 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 204 I C 2.618 178.746 176.117 0.018 0.000 1.097 204 I CA 1.979 63.290 61.300 0.019 0.000 1.363 204 I CB -0.607 37.409 38.000 0.026 0.000 1.051 204 I HN 0.307 nan 8.210 nan 0.000 0.413 205 T N 0.521 115.087 114.554 0.021 0.000 2.788 205 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 205 T C 1.956 176.661 174.700 0.008 0.000 1.044 205 T CA 1.380 63.489 62.100 0.016 0.000 1.139 205 T CB -0.250 68.629 68.868 0.019 0.000 0.867 205 T HN 0.489 nan 8.240 nan 0.000 0.454 206 A N 0.800 123.623 122.820 0.005 0.000 2.014 206 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 206 A C 2.138 179.716 177.584 -0.009 0.000 1.163 206 A CA 0.840 52.873 52.037 -0.007 0.000 0.652 206 A CB -0.563 18.430 19.000 -0.012 0.000 0.808 206 A HN 0.575 nan 8.150 nan 0.000 0.449 207 I N -1.023 119.553 120.570 0.010 0.000 2.852 207 I HA -0.050 4.120 4.170 -0.000 0.000 0.264 207 I C 0.548 176.679 176.117 0.022 0.000 1.179 207 I CA 0.567 61.885 61.300 0.030 0.000 1.480 207 I CB -0.073 37.967 38.000 0.068 0.000 1.111 207 I HN 0.109 nan 8.210 nan 0.000 0.441 208 K N 2.022 122.432 120.400 0.015 0.000 3.001 208 K HA 0.497 4.817 4.320 -0.000 0.000 0.257 208 K C 0.286 176.889 176.600 0.006 0.000 1.290 208 K CA 0.166 56.462 56.287 0.016 0.000 1.252 208 K CB 0.755 33.266 32.500 0.020 0.000 1.656 208 K HN 0.289 nan 8.250 nan 0.000 0.351 209 A N 0.139 122.956 122.820 -0.005 0.000 1.889 209 A HA -0.070 4.250 4.320 -0.000 0.000 0.204 209 A C 1.395 178.961 177.584 -0.030 0.000 1.739 209 A CA -0.223 51.806 52.037 -0.014 0.000 1.589 209 A CB 0.107 19.099 19.000 -0.013 0.000 1.485 209 A HN 0.278 nan 8.150 nan 0.000 0.472 210 Q N -0.192 119.578 119.800 -0.049 0.000 2.165 210 Q HA 0.038 4.378 4.340 -0.000 0.000 0.197 210 Q C 0.334 176.267 176.000 -0.113 0.000 0.952 210 Q CA 0.984 56.737 55.803 -0.083 0.000 0.848 210 Q CB 0.025 28.698 28.738 -0.108 0.000 0.931 210 Q HN 0.507 nan 8.270 nan 0.000 0.470 211 N N 1.048 119.682 118.700 -0.110 0.000 2.807 211 N HA 0.305 5.044 4.740 -0.000 0.000 0.259 211 N C -1.657 173.853 175.510 0.000 0.000 1.149 211 N CA -0.035 52.962 53.050 -0.088 0.000 1.042 211 N CB 0.249 38.714 38.487 -0.037 0.000 1.367 211 N HN 0.184 nan 8.380 nan 0.000 0.516 212 A N 1.836 124.650 122.820 -0.009 0.000 2.594 212 A HA 0.429 4.749 4.320 -0.000 0.000 0.296 212 A C -1.286 176.300 177.584 0.003 0.000 1.061 212 A CA -0.825 51.218 52.037 0.010 0.000 0.689 212 A CB 1.269 20.272 19.000 0.005 0.000 1.280 212 A HN 0.398 nan 8.150 nan 0.000 0.406 213 Q N 0.850 120.657 119.800 0.012 0.000 2.271 213 Q HA 0.590 4.930 4.340 -0.000 0.000 0.258 213 Q C -0.823 175.180 176.000 0.004 0.000 0.936 213 Q CA -0.566 55.241 55.803 0.006 0.000 0.909 213 Q CB 2.229 30.974 28.738 0.011 0.000 1.253 213 Q HN 0.589 nan 8.270 nan 0.000 0.440 214 V N 0.620 120.534 119.914 -0.000 0.000 2.667 214 V HA 0.554 4.674 4.120 -0.000 0.000 0.308 214 V C -0.117 175.977 176.094 -0.001 0.000 1.048 214 V CA -0.968 61.331 62.300 -0.001 0.000 0.928 214 V CB 1.721 33.541 31.823 -0.004 0.000 1.004 214 V HN 0.836 nan 8.190 nan 0.000 0.444 215 A N 2.731 125.551 122.820 -0.001 0.000 3.094 215 A HA 0.739 5.059 4.320 -0.000 0.000 0.288 215 A C 0.636 178.219 177.584 -0.002 0.000 1.519 215 A CA -0.048 51.988 52.037 -0.001 0.000 1.227 215 A CB -0.583 18.416 19.000 -0.000 0.000 1.175 215 A HN 1.249 nan 8.150 nan 0.000 0.568 216 A N 1.004 123.822 122.820 -0.003 0.000 2.407 216 A HA 0.588 4.908 4.320 -0.000 0.000 0.248 216 A C 1.238 178.821 177.584 -0.003 0.000 1.082 216 A CA 0.264 52.299 52.037 -0.003 0.000 0.785 216 A CB 0.062 19.059 19.000 -0.004 0.000 1.020 216 A HN 1.034 nan 8.150 nan 0.000 0.489 217 G N 0.245 109.043 108.800 -0.003 0.000 2.913 217 G HA2 0.435 4.395 3.960 -0.000 0.000 0.145 217 G HA3 0.435 4.395 3.960 -0.000 0.000 0.145 217 G C 0.025 174.923 174.900 -0.003 0.000 1.801 217 G CA 0.684 45.783 45.100 -0.002 0.000 1.033 217 G HN 1.245 nan 8.290 nan 0.000 0.495 218 Q N -1.376 118.422 119.800 -0.002 0.000 2.468 218 Q HA 0.427 4.767 4.340 -0.000 0.000 0.263 218 Q C -1.233 174.766 176.000 -0.002 0.000 0.979 218 Q CA -0.855 54.947 55.803 -0.002 0.000 0.932 218 Q CB 1.032 29.769 28.738 -0.002 0.000 1.462 218 Q HN 0.371 nan 8.270 nan 0.000 0.403 219 L N 1.559 122.781 121.223 -0.002 0.000 2.483 219 L HA 0.426 4.765 4.340 -0.000 0.000 0.276 219 L C 1.120 177.989 176.870 -0.002 0.000 1.213 219 L CA 0.897 55.736 54.840 -0.002 0.000 0.843 219 L CB -0.047 42.011 42.059 -0.002 0.000 1.107 219 L HN 1.112 nan 8.230 nan 0.000 0.487 220 G N 2.354 111.153 108.800 -0.002 0.000 2.351 220 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.297 220 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.297 220 G C 0.537 175.436 174.900 -0.002 0.000 1.054 220 G CA 0.004 45.103 45.100 -0.002 0.000 1.123 220 G HN 1.108 nan 8.290 nan 0.000 0.512 221 G N -0.491 108.308 108.800 -0.002 0.000 2.583 221 G HA2 0.418 4.378 3.960 -0.000 0.000 0.275 221 G HA3 0.418 4.378 3.960 -0.000 0.000 0.275 221 G C 1.306 176.205 174.900 -0.002 0.000 1.342 221 G CA 0.844 45.943 45.100 -0.002 0.000 1.030 221 G HN 0.529 nan 8.290 nan 0.000 0.520 222 T N 1.310 115.863 114.554 -0.002 0.000 2.652 222 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 222 T C -1.192 173.508 174.700 -0.002 0.000 1.039 222 T CA 1.515 63.614 62.100 -0.002 0.000 1.153 222 T CB -0.617 68.250 68.868 -0.002 0.000 0.863 222 T HN 0.440 nan 8.240 nan 0.000 0.428 223 P HA 0.413 nan 4.420 nan 0.000 0.266 223 P C -2.462 174.838 177.300 -0.001 0.000 1.567 223 P CA -1.387 61.712 63.100 -0.001 0.000 1.077 223 P CB 1.122 32.821 31.700 -0.001 0.000 1.396 224 P HA 0.310 nan 4.420 nan 0.000 0.328 224 P C -0.753 176.546 177.300 -0.001 0.000 1.305 224 P CA -0.550 62.549 63.100 -0.001 0.000 0.745 224 P CB 0.644 32.343 31.700 -0.001 0.000 1.462 225 V N -2.331 117.582 119.914 -0.001 0.000 2.398 225 V HA 0.400 4.520 4.120 -0.000 0.000 0.286 225 V C -0.049 176.045 176.094 -0.001 0.000 1.026 225 V CA -1.189 61.110 62.300 -0.001 0.000 0.868 225 V CB 0.483 32.305 31.823 -0.001 0.000 0.982 225 V HN 0.290 nan 8.190 nan 0.000 0.443 226 K N 3.840 124.240 120.400 -0.001 0.000 2.366 226 K HA 0.482 4.802 4.320 -0.000 0.000 0.279 226 K C 1.048 177.647 176.600 -0.001 0.000 1.098 226 K CA 0.923 57.209 56.287 -0.001 0.000 1.087 226 K CB -0.165 32.335 32.500 -0.001 0.000 0.901 226 K HN 1.305 nan 8.250 nan 0.000 0.463 227 G N 1.751 110.550 108.800 -0.001 0.000 2.370 227 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.174 227 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.174 227 G C -0.296 174.603 174.900 -0.001 0.000 1.002 227 G CA -0.643 44.457 45.100 -0.001 0.000 0.730 227 G HN 0.509 nan 8.290 nan 0.000 0.497 228 Q N 0.388 120.188 119.800 -0.001 0.000 2.352 228 Q HA 0.622 4.962 4.340 -0.000 0.000 0.260 228 Q C 1.371 177.370 176.000 -0.001 0.000 0.976 228 Q CA 0.354 56.156 55.803 -0.001 0.000 0.881 228 Q CB 1.145 29.882 28.738 -0.001 0.000 1.235 228 Q HN 0.214 nan 8.270 nan 0.000 0.419 229 Q N 2.162 121.962 119.800 -0.001 0.000 2.339 229 Q HA 0.302 4.642 4.340 -0.000 0.000 0.205 229 Q C -0.286 175.714 176.000 -0.001 0.000 0.925 229 Q CA 0.603 56.406 55.803 -0.001 0.000 0.898 229 Q CB 0.245 28.983 28.738 -0.001 0.000 1.013 229 Q HN 0.691 nan 8.270 nan 0.000 0.504 230 L N -1.996 119.226 121.223 -0.001 0.000 2.301 230 L HA 0.662 5.002 4.340 -0.000 0.000 0.264 230 L C -1.071 175.799 176.870 -0.001 0.000 1.016 230 L CA -0.846 53.993 54.840 -0.001 0.000 0.821 230 L CB 2.248 44.307 42.059 -0.001 0.000 1.346 230 L HN -0.093 nan 8.230 nan 0.000 0.429 231 N N 1.950 120.649 118.700 -0.001 0.000 2.699 231 N HA 0.577 5.317 4.740 -0.000 0.000 0.271 231 N C -1.919 173.590 175.510 -0.001 0.000 1.216 231 N CA -0.140 52.909 53.050 -0.001 0.000 0.844 231 N CB 2.039 40.525 38.487 -0.001 0.000 1.462 231 N HN 1.030 nan 8.380 nan 0.000 0.555 232 A N 1.708 124.527 122.820 -0.002 0.000 2.413 232 A HA 0.681 5.001 4.320 -0.000 0.000 0.307 232 A C -0.316 177.267 177.584 -0.002 0.000 1.087 232 A CA -0.606 51.430 52.037 -0.002 0.000 0.750 232 A CB 1.328 20.327 19.000 -0.002 0.000 1.296 232 A HN 0.581 nan 8.150 nan 0.000 0.423 233 S N 1.162 116.861 115.700 -0.002 0.000 2.475 233 S HA 0.613 5.083 4.470 -0.000 0.000 0.281 233 S C -0.187 174.411 174.600 -0.003 0.000 1.198 233 S CA -0.392 57.806 58.200 -0.002 0.000 1.063 233 S CB 0.111 63.309 63.200 -0.002 0.000 0.972 233 S HN 0.489 nan 8.310 nan 0.000 0.486 234 I N 2.976 123.544 120.570 -0.003 0.000 2.529 234 I HA 0.210 4.379 4.170 -0.000 0.000 0.284 234 I C -0.228 175.887 176.117 -0.004 0.000 1.082 234 I CA -0.317 60.981 61.300 -0.004 0.000 1.406 234 I CB 0.488 38.486 38.000 -0.004 0.000 1.405 234 I HN 0.555 nan 8.210 nan 0.000 0.548 235 I N 4.704 125.271 120.570 -0.005 0.000 2.707 235 I HA 0.594 4.764 4.170 -0.000 0.000 0.309 235 I C 0.478 176.591 176.117 -0.007 0.000 1.001 235 I CA 0.240 61.536 61.300 -0.005 0.000 1.129 235 I CB 1.824 39.821 38.000 -0.005 0.000 1.308 235 I HN 0.771 nan 8.210 nan 0.000 0.466 236 A N 3.208 126.023 122.820 -0.008 0.000 2.364 236 A HA 0.460 4.780 4.320 -0.000 0.000 0.193 236 A C -0.446 177.129 177.584 -0.014 0.000 1.530 236 A CA -0.257 51.774 52.037 -0.010 0.000 1.613 236 A CB 0.147 19.141 19.000 -0.009 0.000 1.767 236 A HN 0.554 nan 8.150 nan 0.000 0.657 237 Q N 0.705 120.497 119.800 -0.015 0.000 2.288 237 Q HA 0.498 4.838 4.340 -0.000 0.000 0.254 237 Q C -1.109 174.881 176.000 -0.016 0.000 0.932 237 Q CA 0.157 55.948 55.803 -0.021 0.000 0.902 237 Q CB 1.184 29.909 28.738 -0.023 0.000 1.203 237 Q HN 0.453 nan 8.270 nan 0.000 0.415 238 T N 1.882 116.424 114.554 -0.021 0.000 2.885 238 T HA 0.324 4.674 4.350 -0.000 0.000 0.285 238 T C -0.237 174.455 174.700 -0.013 0.000 1.019 238 T CA -0.687 61.405 62.100 -0.012 0.000 1.010 238 T CB 1.036 69.898 68.868 -0.010 0.000 1.022 238 T HN 0.395 nan 8.240 nan 0.000 0.466 239 R N 2.257 122.763 120.500 0.011 0.000 2.570 239 R HA 0.196 4.536 4.340 -0.000 0.000 0.277 239 R C 0.111 176.443 176.300 0.053 0.000 1.039 239 R CA -0.575 55.550 56.100 0.043 0.000 1.065 239 R CB 0.224 30.572 30.300 0.080 0.000 0.964 239 R HN 0.343 nan 8.270 nan 0.000 0.428 240 L N 2.085 123.321 121.223 0.022 0.000 2.473 240 L HA 0.013 4.353 4.340 -0.000 0.000 0.268 240 L C 1.339 178.391 176.870 0.304 0.000 1.215 240 L CA 0.986 55.813 54.840 -0.022 0.000 0.823 240 L CB 0.996 42.708 42.059 -0.578 0.000 1.099 240 L HN 0.807 nan 8.230 nan 0.000 0.483 241 T N -1.138 113.573 114.554 0.261 0.000 3.098 241 T HA 0.094 4.444 4.350 -0.000 0.000 0.246 241 T C 0.675 175.606 174.700 0.385 0.000 0.983 241 T CA 0.370 62.651 62.100 0.302 0.000 1.094 241 T CB 0.453 69.403 68.868 0.137 0.000 1.035 241 T HN 0.701 nan 8.240 nan 0.000 0.456 242 S N 0.304 116.172 115.700 0.279 0.000 2.715 242 S HA 0.467 4.937 4.470 -0.000 0.000 0.307 242 S C 1.196 175.918 174.600 0.202 0.000 1.119 242 S CA -0.018 58.307 58.200 0.208 0.000 0.937 242 S CB 1.240 64.510 63.200 0.116 0.000 1.150 242 S HN 0.096 nan 8.310 nan 0.000 0.521 243 T N -0.483 114.127 114.554 0.092 0.000 2.803 243 T HA -0.207 4.142 4.350 -0.000 0.000 0.269 243 T C 1.438 176.184 174.700 0.077 0.000 1.052 243 T CA 2.263 64.390 62.100 0.045 0.000 1.136 243 T CB -0.764 68.099 68.868 -0.009 0.000 0.864 243 T HN 0.773 nan 8.240 nan 0.000 0.467 244 E N -0.021 120.217 120.200 0.064 0.000 2.106 244 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 244 E C 2.151 178.769 176.600 0.030 0.000 0.984 244 E CA 1.237 57.660 56.400 0.040 0.000 0.806 244 E CB -0.038 29.678 29.700 0.027 0.000 0.750 244 E HN 0.695 nan 8.360 nan 0.000 0.458 245 E N -0.464 119.756 120.200 0.032 0.000 2.152 245 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 245 E C 1.749 178.267 176.600 -0.136 0.000 0.983 245 E CA 0.607 56.971 56.400 -0.059 0.000 0.818 245 E CB -0.114 29.529 29.700 -0.097 0.000 0.758 245 E HN 0.356 nan 8.360 nan 0.000 0.467 246 F N 0.897 120.801 119.950 -0.077 0.000 2.558 246 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 246 F C 2.348 178.092 175.800 -0.093 0.000 1.119 246 F CA 0.792 58.727 58.000 -0.108 0.000 1.451 246 F CB 0.028 38.922 39.000 -0.175 0.000 1.091 246 F HN 0.043 nan 8.300 nan 0.000 0.563 247 G N -0.393 108.453 108.800 0.077 0.000 2.572 247 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 247 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 247 G C 1.110 176.001 174.900 -0.015 0.000 1.133 247 G CA 0.079 45.193 45.100 0.023 0.000 0.791 247 G HN 0.231 nan 8.290 nan 0.000 0.538 248 K N 0.822 121.201 120.400 -0.035 0.000 2.981 248 K HA 0.348 4.667 4.320 -0.000 0.000 0.213 248 K C -0.332 176.223 176.600 -0.075 0.000 1.154 248 K CA -0.265 55.990 56.287 -0.053 0.000 1.111 248 K CB 0.679 33.150 32.500 -0.049 0.000 0.975 248 K HN 0.225 nan 8.250 nan 0.000 0.462 249 I N 1.328 121.854 120.570 -0.074 0.000 2.440 249 I HA 0.154 4.324 4.170 -0.000 0.000 0.294 249 I C -0.076 175.999 176.117 -0.069 0.000 0.995 249 I CA -1.166 60.086 61.300 -0.082 0.000 1.306 249 I CB 0.942 38.898 38.000 -0.073 0.000 1.407 249 I HN 0.004 nan 8.210 nan 0.000 0.501 250 L N 6.261 127.445 121.223 -0.065 0.000 2.295 250 L HA 0.235 4.575 4.340 -0.000 0.000 0.288 250 L C 0.550 177.388 176.870 -0.053 0.000 1.079 250 L CA 0.471 55.275 54.840 -0.060 0.000 0.830 250 L CB 0.604 42.633 42.059 -0.049 0.000 1.200 250 L HN 0.584 nan 8.230 nan 0.000 0.438 251 L N 3.035 124.219 121.223 -0.066 0.000 2.130 251 L HA 0.190 4.529 4.340 -0.000 0.000 0.200 251 L C 0.912 177.757 176.870 -0.041 0.000 1.075 251 L CA 0.694 55.501 54.840 -0.054 0.000 0.768 251 L CB -0.046 41.967 42.059 -0.077 0.000 0.933 251 L HN 0.523 nan 8.230 nan 0.000 0.451 252 K N -0.956 119.409 120.400 -0.058 0.000 2.522 252 K HA 0.549 4.869 4.320 -0.000 0.000 0.275 252 K C -1.725 174.858 176.600 -0.028 0.000 1.006 252 K CA -0.647 55.622 56.287 -0.029 0.000 0.890 252 K CB 2.648 35.141 32.500 -0.011 0.000 1.475 252 K HN -0.256 nan 8.250 nan 0.000 0.441 253 V N 0.800 120.714 119.914 -0.001 0.000 2.443 253 V HA 0.321 4.441 4.120 -0.000 0.000 0.272 253 V C -0.874 175.238 176.094 0.030 0.000 1.002 253 V CA -1.099 61.205 62.300 0.007 0.000 0.840 253 V CB 0.738 32.561 31.823 0.001 0.000 1.042 253 V HN 0.681 nan 8.190 nan 0.000 0.446 254 N N 3.763 122.497 118.700 0.057 0.000 2.438 254 N HA 0.199 4.939 4.740 -0.000 0.000 0.267 254 N C 1.277 176.815 175.510 0.047 0.000 1.222 254 N CA 0.287 53.382 53.050 0.074 0.000 0.930 254 N CB 0.879 39.446 38.487 0.133 0.000 1.083 254 N HN 0.871 nan 8.380 nan 0.000 0.476 255 Q N 1.757 121.577 119.800 0.034 0.000 2.562 255 Q HA -0.440 3.900 4.340 -0.000 0.000 0.242 255 Q C 0.755 176.766 176.000 0.019 0.000 2.378 255 Q CA 2.469 58.285 55.803 0.022 0.000 0.912 255 Q CB -0.975 27.773 28.738 0.017 0.000 0.762 255 Q HN 0.833 nan 8.270 nan 0.000 0.582 256 D N 0.726 121.139 120.400 0.021 0.000 2.371 256 D HA 0.045 4.685 4.640 -0.000 0.000 0.234 256 D C 1.233 177.543 176.300 0.018 0.000 1.049 256 D CA 0.928 54.938 54.000 0.017 0.000 0.907 256 D CB -0.210 40.600 40.800 0.017 0.000 0.891 256 D HN 0.856 nan 8.370 nan 0.000 0.531 257 G N 0.913 109.725 108.800 0.019 0.000 2.157 257 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 257 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 257 G C 0.318 175.229 174.900 0.017 0.000 0.979 257 G CA 0.331 45.439 45.100 0.014 0.000 0.650 257 G HN 0.733 nan 8.290 nan 0.000 0.529 258 S N 0.227 115.946 115.700 0.031 0.000 2.510 258 S HA 0.627 5.097 4.470 -0.000 0.000 0.279 258 S C 0.385 175.000 174.600 0.025 0.000 1.284 258 S CA -0.428 57.795 58.200 0.040 0.000 1.059 258 S CB 1.281 64.527 63.200 0.076 0.000 0.901 258 S HN 0.502 nan 8.310 nan 0.000 0.491 259 R N 2.184 122.682 120.500 -0.002 0.000 2.221 259 R HA 0.408 4.748 4.340 -0.000 0.000 0.327 259 R C -0.947 175.293 176.300 -0.100 0.000 1.033 259 R CA -0.676 55.400 56.100 -0.040 0.000 0.887 259 R CB 1.189 31.466 30.300 -0.040 0.000 1.057 259 R HN 0.547 nan 8.270 nan 0.000 0.455 260 V N 5.976 125.786 119.914 -0.172 0.000 2.408 260 V HA 0.236 4.355 4.120 -0.000 0.000 0.267 260 V C 0.525 176.469 176.094 -0.250 0.000 1.047 260 V CA -0.335 61.742 62.300 -0.371 0.000 0.937 260 V CB 0.660 32.156 31.823 -0.544 0.000 0.999 260 V HN 0.570 nan 8.190 nan 0.000 0.472 261 L N 3.883 124.969 121.223 -0.229 0.000 2.365 261 L HA 0.410 4.750 4.340 -0.000 0.000 0.267 261 L C 1.169 177.957 176.870 -0.137 0.000 1.033 261 L CA -0.781 53.974 54.840 -0.142 0.000 0.802 261 L CB 1.045 43.047 42.059 -0.096 0.000 1.267 261 L HN 0.471 nan 8.230 nan 0.000 0.457 262 L N 1.264 122.438 121.223 -0.082 0.000 2.201 262 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 262 L C 2.558 179.404 176.870 -0.040 0.000 1.105 262 L CA 1.586 56.394 54.840 -0.053 0.000 0.775 262 L CB -0.885 41.163 42.059 -0.017 0.000 0.913 262 L HN 0.697 nan 8.230 nan 0.000 0.440 263 R N -0.609 119.869 120.500 -0.036 0.000 2.115 263 R HA -0.119 4.221 4.340 -0.000 0.000 0.226 263 R C 1.234 177.521 176.300 -0.021 0.000 1.100 263 R CA 1.566 57.656 56.100 -0.016 0.000 0.980 263 R CB -0.700 29.596 30.300 -0.007 0.000 0.875 263 R HN 0.335 nan 8.270 nan 0.000 0.445 264 D N 0.969 121.332 120.400 -0.062 0.000 2.310 264 D HA -0.095 4.545 4.640 -0.000 0.000 0.212 264 D C 1.713 177.987 176.300 -0.044 0.000 0.965 264 D CA 1.307 55.267 54.000 -0.067 0.000 0.879 264 D CB 0.341 41.040 40.800 -0.169 0.000 0.921 264 D HN 0.322 nan 8.370 nan 0.000 0.510 265 V N -2.644 117.232 119.914 -0.063 0.000 3.645 265 V HA 0.620 4.740 4.120 -0.000 0.000 0.275 265 V C 0.319 176.418 176.094 0.009 0.000 1.356 265 V CA 0.566 62.858 62.300 -0.014 0.000 1.051 265 V CB 0.385 32.184 31.823 -0.041 0.000 0.828 265 V HN 0.038 nan 8.190 nan 0.000 0.441 266 A N 0.077 122.907 122.820 0.016 0.000 2.594 266 A HA 0.619 4.939 4.320 -0.000 0.000 0.295 266 A C -0.733 176.891 177.584 0.067 0.000 1.071 266 A CA -0.779 51.287 52.037 0.049 0.000 0.685 266 A CB 1.455 20.476 19.000 0.035 0.000 1.285 266 A HN 0.266 nan 8.150 nan 0.000 0.405 267 K N 0.889 121.371 120.400 0.137 0.000 2.237 267 K HA 0.613 4.933 4.320 -0.000 0.000 0.270 267 K C -1.158 175.516 176.600 0.123 0.000 1.015 267 K CA -0.103 56.286 56.287 0.171 0.000 0.949 267 K CB 0.339 33.010 32.500 0.286 0.000 0.976 267 K HN 0.570 nan 8.250 nan 0.000 0.472 268 I N 4.479 125.095 120.570 0.077 0.000 2.517 268 I HA 0.139 4.309 4.170 -0.000 0.000 0.280 268 I C -0.580 175.540 176.117 0.005 0.000 1.061 268 I CA -0.531 60.752 61.300 -0.028 0.000 1.091 268 I CB 1.539 39.511 38.000 -0.047 0.000 1.205 268 I HN 0.689 nan 8.210 nan 0.000 0.459 269 E N 6.380 126.597 120.200 0.029 0.000 2.256 269 E HA 0.412 4.762 4.350 -0.000 0.000 0.267 269 E C -1.419 175.150 176.600 -0.052 0.000 0.892 269 E CA -0.995 55.437 56.400 0.054 0.000 0.775 269 E CB 2.955 32.780 29.700 0.207 0.000 1.207 269 E HN 0.343 nan 8.360 nan 0.000 0.420 270 L N 3.400 124.543 121.223 -0.132 0.000 2.401 270 L HA 0.469 4.809 4.340 -0.000 0.000 0.283 270 L C -0.244 176.413 176.870 -0.355 0.000 1.151 270 L CA 0.401 55.050 54.840 -0.319 0.000 0.942 270 L CB -0.011 41.785 42.059 -0.440 0.000 1.283 270 L HN 0.721 nan 8.230 nan 0.000 0.442 271 G N 2.319 111.096 108.800 -0.038 0.000 2.788 271 G HA2 0.608 4.568 3.960 -0.000 0.000 0.293 271 G HA3 0.608 4.568 3.960 -0.000 0.000 0.293 271 G C -0.319 174.751 174.900 0.284 0.000 1.305 271 G CA -0.439 44.829 45.100 0.281 0.000 1.005 271 G HN 0.729 nan 8.290 nan 0.000 0.496 272 G N -1.150 107.690 108.800 0.066 0.000 2.554 272 G HA2 0.360 4.320 3.960 -0.000 0.000 0.238 272 G HA3 0.360 4.320 3.960 -0.000 0.000 0.238 272 G C 0.781 175.547 174.900 -0.224 0.000 1.259 272 G CA 0.431 45.415 45.100 -0.193 0.000 0.843 272 G HN 0.767 nan 8.290 nan 0.000 0.582 273 E N -0.223 119.902 120.200 -0.126 0.000 2.481 273 E HA -0.060 4.289 4.350 -0.000 0.000 0.195 273 E C 0.390 176.840 176.600 -0.251 0.000 1.047 273 E CA 0.121 56.427 56.400 -0.157 0.000 0.867 273 E CB 0.184 29.885 29.700 0.001 0.000 0.858 273 E HN 0.403 nan 8.360 nan 0.000 0.513 274 N N -0.244 118.311 118.700 -0.242 0.000 2.599 274 N HA 0.027 4.767 4.740 -0.000 0.000 0.283 274 N C -1.283 174.121 175.510 -0.176 0.000 1.160 274 N CA -0.416 52.548 53.050 -0.145 0.000 0.869 274 N CB 0.905 39.324 38.487 -0.113 0.000 1.448 274 N HN -0.012 nan 8.380 nan 0.000 0.535 275 Y N 1.164 121.466 120.300 0.004 0.000 2.461 275 Y HA 0.204 4.754 4.550 -0.000 0.000 0.277 275 Y C 1.610 177.509 175.900 -0.002 0.000 1.182 275 Y CA -0.261 57.847 58.100 0.013 0.000 1.276 275 Y CB 0.336 38.813 38.460 0.027 0.000 1.087 275 Y HN 0.485 nan 8.280 nan 0.000 0.519 276 D N 0.997 121.460 120.400 0.105 0.000 2.218 276 D HA -0.067 4.572 4.640 -0.000 0.000 0.204 276 D C 0.290 176.617 176.300 0.046 0.000 0.976 276 D CA 1.231 55.269 54.000 0.064 0.000 0.853 276 D CB 0.160 40.978 40.800 0.030 0.000 0.939 276 D HN 0.362 nan 8.370 nan 0.000 0.481 277 I N -1.580 119.007 120.570 0.029 0.000 2.730 277 I HA 0.457 4.627 4.170 -0.000 0.000 0.298 277 I C -1.004 175.134 176.117 0.036 0.000 1.089 277 I CA -1.626 59.697 61.300 0.037 0.000 1.041 277 I CB 2.003 40.020 38.000 0.028 0.000 1.235 277 I HN -0.218 nan 8.210 nan 0.000 0.423 278 I N 1.776 122.368 120.570 0.037 0.000 2.627 278 I HA 0.901 5.071 4.170 -0.000 0.000 0.288 278 I C -0.401 175.697 176.117 -0.031 0.000 1.202 278 I CA -0.889 60.419 61.300 0.013 0.000 1.050 278 I CB 1.600 39.610 38.000 0.016 0.000 1.264 278 I HN 0.846 nan 8.210 nan 0.000 0.429 279 A N 3.940 126.719 122.820 -0.068 0.000 2.303 279 A HA 0.867 5.187 4.320 -0.000 0.000 0.317 279 A C -0.432 176.994 177.584 -0.263 0.000 1.149 279 A CA -0.379 51.511 52.037 -0.244 0.000 0.822 279 A CB 0.922 19.689 19.000 -0.389 0.000 1.131 279 A HN 0.786 nan 8.150 nan 0.000 0.493 280 E N -0.155 119.840 120.200 -0.342 0.000 2.227 280 E HA 0.560 4.910 4.350 -0.000 0.000 0.268 280 E C -1.762 174.692 176.600 -0.243 0.000 0.907 280 E CA -0.313 55.956 56.400 -0.219 0.000 0.786 280 E CB 2.078 31.693 29.700 -0.142 0.000 1.191 280 E HN 0.489 nan 8.360 nan 0.000 0.411 281 F N 4.102 123.928 119.950 -0.207 0.000 2.513 281 F HA 0.375 4.902 4.527 -0.000 0.000 0.358 281 F C -0.459 175.337 175.800 -0.007 0.000 1.118 281 F CA -0.787 57.175 58.000 -0.063 0.000 1.037 281 F CB 0.442 39.487 39.000 0.076 0.000 1.276 281 F HN 0.438 nan 8.300 nan 0.000 0.446 282 N N 4.110 122.545 118.700 -0.443 0.000 2.735 282 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 282 N C 0.883 176.293 175.510 -0.166 0.000 1.083 282 N CA 1.398 54.238 53.050 -0.351 0.000 0.703 282 N CB -1.280 36.901 38.487 -0.509 0.000 1.005 282 N HN 1.400 nan 8.380 nan 0.000 0.550 283 G N -0.828 107.907 108.800 -0.107 0.000 2.198 283 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 283 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 283 G C -0.197 174.682 174.900 -0.036 0.000 1.025 283 G CA 0.719 45.784 45.100 -0.058 0.000 0.769 283 G HN 0.598 nan 8.290 nan 0.000 0.507 284 Q N -0.135 119.654 119.800 -0.018 0.000 2.345 284 Q HA 0.504 4.844 4.340 -0.000 0.000 0.268 284 Q C -2.530 173.487 176.000 0.029 0.000 1.054 284 Q CA -2.250 53.568 55.803 0.025 0.000 0.835 284 Q CB 2.852 31.637 28.738 0.078 0.000 1.339 284 Q HN 0.185 nan 8.270 nan 0.000 0.447 285 P HA 0.247 nan 4.420 nan 0.000 0.276 285 P C -1.608 175.702 177.300 0.016 0.000 1.243 285 P CA 0.123 63.227 63.100 0.007 0.000 0.768 285 P CB 0.949 32.655 31.700 0.009 0.000 0.856 286 A N 2.200 125.016 122.820 -0.007 0.000 2.610 286 A HA 0.693 5.013 4.320 -0.000 0.000 0.291 286 A C -0.849 176.732 177.584 -0.005 0.000 1.086 286 A CA -0.466 51.572 52.037 0.002 0.000 0.677 286 A CB 1.495 20.521 19.000 0.045 0.000 1.278 286 A HN 0.440 nan 8.150 nan 0.000 0.414 287 S N -1.542 114.176 115.700 0.030 0.000 2.811 287 S HA 0.967 5.437 4.470 -0.000 0.000 0.311 287 S C 0.070 174.756 174.600 0.144 0.000 1.152 287 S CA 0.295 58.552 58.200 0.095 0.000 0.864 287 S CB 1.793 65.018 63.200 0.041 0.000 1.226 287 S HN 2.417 nan 8.310 nan 0.000 0.541 288 G N -0.094 108.839 108.800 0.223 0.000 2.435 288 G HA2 0.473 4.433 3.960 -0.000 0.000 0.296 288 G HA3 0.473 4.433 3.960 -0.000 0.000 0.296 288 G C -2.378 172.663 174.900 0.235 0.000 1.240 288 G CA -0.624 44.566 45.100 0.149 0.000 0.872 288 G HN 0.743 nan 8.290 nan 0.000 0.480 289 L N 0.976 122.296 121.223 0.162 0.000 2.446 289 L HA 0.588 4.928 4.340 -0.000 0.000 0.268 289 L C 0.294 177.241 176.870 0.129 0.000 0.975 289 L CA -0.651 54.265 54.840 0.127 0.000 0.848 289 L CB 2.331 44.404 42.059 0.025 0.000 1.225 289 L HN 0.789 nan 8.230 nan 0.000 0.410 290 G N 4.428 113.328 108.800 0.166 0.000 2.857 290 G HA2 0.522 4.481 3.960 -0.000 0.000 0.326 290 G HA3 0.522 4.481 3.960 -0.000 0.000 0.326 290 G C -0.256 174.678 174.900 0.056 0.000 0.950 290 G CA -0.275 44.801 45.100 -0.040 0.000 1.400 290 G HN 0.367 nan 8.290 nan 0.000 0.473 291 I N 1.363 122.004 120.570 0.119 0.000 2.529 291 I HA 0.281 4.451 4.170 -0.000 0.000 0.284 291 I C 0.603 176.901 176.117 0.302 0.000 1.082 291 I CA -0.028 61.378 61.300 0.176 0.000 1.406 291 I CB 1.328 39.397 38.000 0.114 0.000 1.405 291 I HN 0.354 nan 8.210 nan 0.000 0.548 292 K N 6.368 126.925 120.400 0.261 0.000 2.318 292 K HA 0.509 4.828 4.320 -0.000 0.000 0.249 292 K C -1.012 175.662 176.600 0.123 0.000 0.942 292 K CA -0.797 55.615 56.287 0.208 0.000 0.808 292 K CB 1.504 34.108 32.500 0.173 0.000 1.189 292 K HN 0.472 nan 8.250 nan 0.000 0.428 293 L N 2.140 123.420 121.223 0.094 0.000 2.464 293 L HA 0.192 4.532 4.340 -0.000 0.000 0.264 293 L C 0.516 177.424 176.870 0.063 0.000 1.199 293 L CA 0.345 55.232 54.840 0.079 0.000 0.818 293 L CB 1.221 43.326 42.059 0.076 0.000 1.102 293 L HN 1.033 nan 8.230 nan 0.000 0.473 294 A N 1.232 124.085 122.820 0.055 0.000 2.684 294 A HA 0.239 4.559 4.320 -0.000 0.000 0.288 294 A C 0.542 178.148 177.584 0.035 0.000 1.337 294 A CA -0.026 52.037 52.037 0.043 0.000 0.946 294 A CB -0.519 18.503 19.000 0.037 0.000 1.093 294 A HN 0.861 nan 8.150 nan 0.000 0.543 295 T N -0.474 114.104 114.554 0.041 0.000 3.318 295 T HA -0.052 4.298 4.350 -0.000 0.000 0.428 295 T C 1.187 175.904 174.700 0.029 0.000 0.768 295 T CA 1.354 63.475 62.100 0.036 0.000 2.218 295 T CB -1.909 66.978 68.868 0.032 0.000 1.689 295 T HN 2.187 nan 8.240 nan 0.000 0.671 296 G N -1.264 107.559 108.800 0.038 0.000 2.175 296 G HA2 0.249 4.209 3.960 -0.000 0.000 0.182 296 G HA3 0.249 4.209 3.960 -0.000 0.000 0.182 296 G C 0.297 175.219 174.900 0.037 0.000 1.003 296 G CA 0.373 45.494 45.100 0.035 0.000 0.666 296 G HN 1.734 nan 8.290 nan 0.000 0.506 297 A N -0.042 122.803 122.820 0.041 0.000 2.292 297 A HA 0.643 4.963 4.320 -0.000 0.000 0.265 297 A C 0.847 178.459 177.584 0.047 0.000 1.133 297 A CA 0.308 52.370 52.037 0.041 0.000 0.807 297 A CB 0.212 19.238 19.000 0.044 0.000 1.102 297 A HN 0.400 nan 8.150 nan 0.000 0.502 298 N N 0.442 119.168 118.700 0.043 0.000 2.575 298 N HA 0.307 5.047 4.740 -0.000 0.000 0.275 298 N C 1.247 176.786 175.510 0.049 0.000 1.202 298 N CA 0.362 53.438 53.050 0.043 0.000 0.945 298 N CB 0.208 38.714 38.487 0.032 0.000 1.247 298 N HN 0.769 nan 8.380 nan 0.000 0.510 299 A N 1.853 124.710 122.820 0.062 0.000 1.745 299 A HA -0.321 3.999 4.320 -0.000 0.000 0.339 299 A C 1.889 179.512 177.584 0.066 0.000 4.536 299 A CA 2.396 54.477 52.037 0.073 0.000 1.018 299 A CB -1.208 17.846 19.000 0.091 0.000 0.591 299 A HN 0.488 nan 8.150 nan 0.000 0.481 300 L N -0.707 120.551 121.223 0.057 0.000 2.201 300 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 300 L C 1.587 178.478 176.870 0.035 0.000 1.105 300 L CA 2.836 57.705 54.840 0.048 0.000 0.775 300 L CB -0.471 41.610 42.059 0.037 0.000 0.913 300 L HN 0.507 nan 8.230 nan 0.000 0.440 301 D N -0.973 119.445 120.400 0.031 0.000 2.194 301 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 301 D C 2.041 178.359 176.300 0.030 0.000 0.964 301 D CA 1.538 55.552 54.000 0.024 0.000 0.846 301 D CB -0.354 40.457 40.800 0.018 0.000 0.962 301 D HN 0.344 nan 8.370 nan 0.000 0.490 302 T N 0.648 115.225 114.554 0.039 0.000 2.867 302 T HA -0.051 4.299 4.350 -0.000 0.000 0.268 302 T C 1.911 176.642 174.700 0.051 0.000 1.057 302 T CA 1.240 63.366 62.100 0.044 0.000 1.136 302 T CB -0.031 68.868 68.868 0.051 0.000 0.874 302 T HN 0.209 nan 8.240 nan 0.000 0.466 303 A N 0.679 123.532 122.820 0.056 0.000 2.021 303 A HA 0.463 4.783 4.320 -0.000 0.000 0.216 303 A C 2.478 180.092 177.584 0.048 0.000 1.163 303 A CA 1.199 53.273 52.037 0.062 0.000 0.676 303 A CB -0.579 18.464 19.000 0.071 0.000 0.818 303 A HN 0.461 nan 8.150 nan 0.000 0.453 304 A N -0.324 122.517 122.820 0.035 0.000 2.014 304 A HA 0.325 4.644 4.320 -0.000 0.000 0.218 304 A C 2.171 179.772 177.584 0.028 0.000 1.163 304 A CA 1.543 53.594 52.037 0.023 0.000 0.652 304 A CB -0.496 18.513 19.000 0.014 0.000 0.808 304 A HN 0.944 nan 8.150 nan 0.000 0.449 305 A N -0.965 121.874 122.820 0.032 0.000 2.238 305 A HA 0.357 4.677 4.320 -0.000 0.000 0.210 305 A C 1.789 179.398 177.584 0.041 0.000 1.179 305 A CA 0.207 52.263 52.037 0.032 0.000 0.827 305 A CB -0.375 18.642 19.000 0.027 0.000 0.856 305 A HN 0.428 nan 8.150 nan 0.000 0.488 306 I N -0.717 119.884 120.570 0.052 0.000 2.315 306 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 306 I C 2.584 178.746 176.117 0.076 0.000 1.117 306 I CA 1.279 62.617 61.300 0.064 0.000 1.404 306 I CB 0.002 38.049 38.000 0.078 0.000 1.071 306 I HN 0.283 nan 8.210 nan 0.000 0.419 307 R N 1.546 122.092 120.500 0.078 0.000 2.189 307 R HA -0.012 4.328 4.340 -0.000 0.000 0.218 307 R C 2.018 178.356 176.300 0.063 0.000 1.074 307 R CA 1.441 57.593 56.100 0.086 0.000 0.991 307 R CB -0.601 29.737 30.300 0.064 0.000 0.883 307 R HN 0.315 nan 8.270 nan 0.000 0.457 308 A N 0.863 123.710 122.820 0.046 0.000 1.865 308 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 308 A C 1.921 179.528 177.584 0.037 0.000 1.191 308 A CA 1.637 53.695 52.037 0.035 0.000 0.623 308 A CB -0.466 18.550 19.000 0.027 0.000 0.826 308 A HN 0.336 nan 8.150 nan 0.000 0.444 309 E N -0.391 119.833 120.200 0.039 0.000 2.047 309 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 309 E C 2.083 178.714 176.600 0.052 0.000 0.987 309 E CA 1.017 57.438 56.400 0.036 0.000 0.799 309 E CB -0.620 29.097 29.700 0.028 0.000 0.752 309 E HN 0.624 nan 8.360 nan 0.000 0.449 310 L N 0.544 121.810 121.223 0.071 0.000 2.127 310 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 310 L C 2.172 179.098 176.870 0.094 0.000 1.089 310 L CA 1.529 56.431 54.840 0.103 0.000 0.757 310 L CB -0.158 41.977 42.059 0.126 0.000 0.899 310 L HN 0.054 nan 8.230 nan 0.000 0.434 311 A N -0.652 122.209 122.820 0.069 0.000 1.929 311 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 311 A C 2.116 179.718 177.584 0.031 0.000 1.176 311 A CA 1.067 53.131 52.037 0.045 0.000 0.628 311 A CB -0.247 18.777 19.000 0.041 0.000 0.816 311 A HN 0.296 nan 8.150 nan 0.000 0.444 312 K N -0.706 119.723 120.400 0.048 0.000 2.365 312 K HA 0.083 4.403 4.320 -0.000 0.000 0.199 312 K C 1.527 178.195 176.600 0.114 0.000 1.045 312 K CA 0.956 57.290 56.287 0.077 0.000 0.962 312 K CB -0.341 32.189 32.500 0.050 0.000 0.759 312 K HN 0.540 nan 8.250 nan 0.000 0.469 313 M N 0.434 120.072 119.600 0.064 0.000 2.435 313 M HA -0.017 4.463 4.480 -0.000 0.000 0.265 313 M C 1.655 177.790 176.300 -0.275 0.000 1.104 313 M CA 0.877 56.221 55.300 0.073 0.000 1.140 313 M CB 0.104 32.809 32.600 0.175 0.000 1.372 313 M HN 0.070 nan 8.290 nan 0.000 0.456 314 E N 0.520 120.474 120.200 -0.409 0.000 2.070 314 E HA -0.219 4.130 4.350 -0.000 0.000 0.197 314 E C -0.846 175.253 176.600 -0.836 0.000 1.004 314 E CA 1.393 57.279 56.400 -0.857 0.000 0.805 314 E CB -1.447 28.071 29.700 -0.304 0.000 0.744 314 E HN 0.415 nan 8.360 nan 0.000 0.451 315 P HA -0.086 nan 4.420 nan 0.000 0.230 315 P C 0.226 177.142 177.300 -0.640 0.000 1.158 315 P CA 0.982 63.760 63.100 -0.536 0.000 0.769 315 P CB -0.047 31.260 31.700 -0.655 0.000 0.807 316 F N -2.618 117.218 119.950 -0.191 0.000 2.708 316 F HA 0.286 4.813 4.527 -0.000 0.000 0.300 316 F C 0.657 176.597 175.800 0.234 0.000 1.118 316 F CA -0.801 57.212 58.000 0.021 0.000 1.307 316 F CB -0.334 38.703 39.000 0.063 0.000 0.986 316 F HN -0.276 nan 8.300 nan 0.000 0.522 317 F N 2.705 122.801 119.950 0.243 0.000 2.406 317 F HA 0.358 4.885 4.527 -0.000 0.000 0.327 317 F C -1.159 174.672 175.800 0.053 0.000 1.153 317 F CA -3.488 54.642 58.000 0.216 0.000 1.218 317 F CB -0.523 38.594 39.000 0.195 0.000 1.215 317 F HN -0.105 nan 8.300 nan 0.000 0.570 318 P HA 0.054 nan 4.420 nan 0.000 0.277 318 P C -0.587 176.749 177.300 0.059 0.000 1.276 318 P CA -0.478 62.633 63.100 0.017 0.000 0.788 318 P CB 0.473 32.095 31.700 -0.130 0.000 1.114 319 S N -1.166 114.550 115.700 0.028 0.000 2.516 319 S HA 0.392 4.862 4.470 -0.000 0.000 0.282 319 S C 1.235 175.854 174.600 0.032 0.000 1.286 319 S CA 0.889 59.110 58.200 0.036 0.000 1.066 319 S CB -1.340 61.872 63.200 0.021 0.000 0.884 319 S HN 0.881 nan 8.310 nan 0.000 0.491 320 G N 4.072 112.902 108.800 0.051 0.000 2.313 320 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 320 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 320 G C 0.090 175.021 174.900 0.052 0.000 1.023 320 G CA -0.125 45.001 45.100 0.044 0.000 0.626 320 G HN 0.697 nan 8.290 nan 0.000 0.503 321 L N 1.871 123.127 121.223 0.055 0.000 2.562 321 L HA 0.481 4.821 4.340 -0.000 0.000 0.271 321 L C 0.433 177.377 176.870 0.123 0.000 1.167 321 L CA 0.954 55.802 54.840 0.014 0.000 0.917 321 L CB 0.714 42.714 42.059 -0.099 0.000 1.187 321 L HN 0.528 nan 8.230 nan 0.000 0.482 322 K N 5.100 125.533 120.400 0.056 0.000 2.464 322 K HA 0.481 4.801 4.320 -0.000 0.000 0.253 322 K C -0.845 175.759 176.600 0.007 0.000 0.933 322 K CA -0.832 55.519 56.287 0.106 0.000 0.801 322 K CB 1.910 34.461 32.500 0.086 0.000 1.271 322 K HN 0.369 nan 8.250 nan 0.000 0.430 323 I N 3.502 124.092 120.570 0.033 0.000 2.581 323 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 323 I C -0.036 175.921 176.117 -0.266 0.000 1.047 323 I CA -0.592 60.615 61.300 -0.154 0.000 1.374 323 I CB 1.304 39.233 38.000 -0.119 0.000 1.423 323 I HN 0.445 nan 8.210 nan 0.000 0.549 324 V N 6.958 126.570 119.914 -0.503 0.000 3.078 324 V HA 0.466 4.586 4.120 -0.000 0.000 0.311 324 V C -1.658 174.034 176.094 -0.671 0.000 1.138 324 V CA -0.470 61.558 62.300 -0.452 0.000 1.007 324 V CB 2.732 34.290 31.823 -0.442 0.000 1.045 324 V HN 0.539 nan 8.190 nan 0.000 0.432 325 Y N 5.189 125.436 120.300 -0.089 0.000 2.646 325 Y HA 0.556 5.106 4.550 -0.000 0.000 0.334 325 Y C -2.095 173.797 175.900 -0.014 0.000 1.004 325 Y CA -1.758 56.302 58.100 -0.066 0.000 1.301 325 Y CB 0.882 39.332 38.460 -0.017 0.000 1.093 325 Y HN 0.574 nan 8.280 nan 0.000 0.530 326 P HA 0.035 nan 4.420 nan 0.000 0.341 326 P C -0.538 176.820 177.300 0.097 0.000 1.332 326 P CA -0.773 62.395 63.100 0.113 0.000 0.769 326 P CB 0.416 32.181 31.700 0.108 0.000 1.726 327 Y N 0.573 120.840 120.300 -0.055 0.000 2.462 327 Y HA -0.192 4.358 4.550 -0.000 0.000 0.417 327 Y C -0.190 175.666 175.900 -0.073 0.000 1.081 327 Y CA 0.703 58.741 58.100 -0.103 0.000 1.558 327 Y CB -0.832 37.473 38.460 -0.259 0.000 1.081 327 Y HN 0.218 nan 8.280 nan 0.000 0.454 328 D N 3.580 124.030 120.400 0.084 0.000 2.990 328 D HA 0.230 4.870 4.640 -0.000 0.000 0.227 328 D C 0.184 176.528 176.300 0.074 0.000 1.249 328 D CA -0.351 53.725 54.000 0.127 0.000 0.891 328 D CB 1.786 42.654 40.800 0.112 0.000 1.647 328 D HN 0.321 nan 8.370 nan 0.000 0.530 329 T N 1.353 115.985 114.554 0.129 0.000 2.851 329 T HA -0.057 4.292 4.350 -0.000 0.000 0.262 329 T C 1.585 176.383 174.700 0.164 0.000 1.043 329 T CA 1.549 63.731 62.100 0.136 0.000 1.140 329 T CB -0.190 68.778 68.868 0.167 0.000 0.872 329 T HN 0.566 nan 8.240 nan 0.000 0.446 330 T N 2.715 117.344 114.554 0.125 0.000 2.572 330 T HA -0.182 4.168 4.350 -0.000 0.000 0.258 330 T C -0.645 174.131 174.700 0.125 0.000 1.154 330 T CA 2.248 64.407 62.100 0.099 0.000 1.157 330 T CB -1.399 67.498 68.868 0.048 0.000 0.856 330 T HN 0.410 nan 8.240 nan 0.000 0.443 331 P HA -0.028 nan 4.420 nan 0.000 0.225 331 P C 1.261 178.725 177.300 0.272 0.000 1.148 331 P CA 0.815 64.026 63.100 0.184 0.000 0.779 331 P CB -0.248 31.573 31.700 0.202 0.000 0.780 332 F N 0.665 120.703 119.950 0.146 0.000 2.186 332 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 332 F C 2.310 178.115 175.800 0.009 0.000 1.090 332 F CA 0.886 58.962 58.000 0.128 0.000 1.307 332 F CB -0.834 38.254 39.000 0.147 0.000 1.019 332 F HN -0.287 nan 8.300 nan 0.000 0.489 333 V N 0.442 120.392 119.914 0.060 0.000 2.427 333 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 333 V C 2.356 178.396 176.094 -0.090 0.000 1.051 333 V CA 1.796 64.056 62.300 -0.066 0.000 1.048 333 V CB -0.358 31.462 31.823 -0.004 0.000 0.666 333 V HN 0.226 nan 8.190 nan 0.000 0.456 334 K N -0.850 119.533 120.400 -0.027 0.000 2.288 334 K HA -0.053 4.267 4.320 -0.000 0.000 0.201 334 K C 1.796 178.376 176.600 -0.033 0.000 1.048 334 K CA 1.079 57.354 56.287 -0.020 0.000 0.956 334 K CB -0.077 32.431 32.500 0.015 0.000 0.746 334 K HN 0.359 nan 8.250 nan 0.000 0.461 335 I N 0.361 120.864 120.570 -0.112 0.000 2.852 335 I HA -0.102 4.067 4.170 -0.000 0.000 0.264 335 I C 1.703 177.637 176.117 -0.304 0.000 1.179 335 I CA 1.026 62.197 61.300 -0.214 0.000 1.480 335 I CB 0.267 38.043 38.000 -0.373 0.000 1.111 335 I HN -0.106 nan 8.210 nan 0.000 0.441 336 S N -0.148 115.336 115.700 -0.359 0.000 2.496 336 S HA 0.156 4.626 4.470 -0.000 0.000 0.224 336 S C 1.895 176.383 174.600 -0.187 0.000 0.996 336 S CA 0.660 58.648 58.200 -0.353 0.000 0.927 336 S CB -0.000 62.911 63.200 -0.482 0.000 0.774 336 S HN 0.331 nan 8.310 nan 0.000 0.524 337 I N 0.373 120.871 120.570 -0.121 0.000 2.556 337 I HA -0.016 4.154 4.170 -0.000 0.000 0.251 337 I C 2.295 178.414 176.117 0.003 0.000 1.105 337 I CA 0.936 62.208 61.300 -0.048 0.000 1.436 337 I CB -0.349 37.629 38.000 -0.037 0.000 1.139 337 I HN 0.251 nan 8.210 nan 0.000 0.438 338 H N 1.664 120.673 119.070 -0.102 0.000 2.545 338 H HA 0.068 4.624 4.556 -0.000 0.000 0.282 338 H C 0.288 175.556 175.328 -0.099 0.000 1.020 338 H CA 0.927 56.922 56.048 -0.088 0.000 1.243 338 H CB 0.055 29.767 29.762 -0.083 0.000 1.377 338 H HN 0.272 nan 8.280 nan 0.000 0.581 339 E N -0.159 119.905 120.200 -0.226 0.000 3.037 339 E HA 0.335 4.685 4.350 -0.000 0.000 0.220 339 E C -0.515 175.999 176.600 -0.143 0.000 1.142 339 E CA -0.163 56.080 56.400 -0.261 0.000 0.888 339 E CB 0.920 30.439 29.700 -0.302 0.000 1.329 339 E HN 0.173 nan 8.360 nan 0.000 0.409 340 V N 0.449 120.304 119.914 -0.099 0.000 4.689 340 V HA -0.185 3.935 4.120 -0.000 0.000 0.158 340 V C 1.169 177.248 176.094 -0.025 0.000 1.405 340 V CA 0.171 62.449 62.300 -0.036 0.000 0.791 340 V CB 0.215 32.060 31.823 0.037 0.000 0.887 340 V HN 0.328 nan 8.190 nan 0.000 0.618 341 V N 1.133 121.044 119.914 -0.006 0.000 2.809 341 V HA -0.120 4.000 4.120 -0.000 0.000 0.256 341 V C 2.276 178.366 176.094 -0.006 0.000 1.080 341 V CA 2.371 64.681 62.300 0.017 0.000 1.102 341 V CB -0.353 31.497 31.823 0.044 0.000 0.705 341 V HN 0.488 nan 8.190 nan 0.000 0.475 342 K N 0.511 120.883 120.400 -0.047 0.000 2.031 342 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 342 K C 2.262 178.810 176.600 -0.085 0.000 1.049 342 K CA 2.015 58.255 56.287 -0.079 0.000 0.939 342 K CB -1.009 31.380 32.500 -0.185 0.000 0.717 342 K HN 0.306 nan 8.250 nan 0.000 0.438 343 T N 2.134 116.627 114.554 -0.102 0.000 2.746 343 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 343 T C 1.572 176.216 174.700 -0.094 0.000 1.039 343 T CA 1.174 63.208 62.100 -0.110 0.000 1.142 343 T CB -0.338 68.448 68.868 -0.136 0.000 0.866 343 T HN 0.212 nan 8.240 nan 0.000 0.444 344 L N 1.273 122.454 121.223 -0.070 0.000 2.011 344 L HA -0.139 4.201 4.340 -0.000 0.000 0.225 344 L C 2.413 179.255 176.870 -0.047 0.000 1.084 344 L CA 2.133 56.943 54.840 -0.050 0.000 0.791 344 L CB -1.384 40.667 42.059 -0.013 0.000 0.898 344 L HN 0.175 nan 8.230 nan 0.000 0.440 345 V N 0.157 120.047 119.914 -0.039 0.000 2.667 345 V HA -0.205 3.915 4.120 -0.000 0.000 0.252 345 V C 2.563 178.628 176.094 -0.048 0.000 1.065 345 V CA 1.579 63.858 62.300 -0.036 0.000 1.083 345 V CB -0.298 31.509 31.823 -0.026 0.000 0.692 345 V HN 0.517 nan 8.190 nan 0.000 0.468 346 E N 0.164 120.328 120.200 -0.060 0.000 2.208 346 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 346 E C 2.009 178.570 176.600 -0.065 0.000 0.988 346 E CA 1.064 57.425 56.400 -0.064 0.000 0.828 346 E CB -0.176 29.478 29.700 -0.076 0.000 0.763 346 E HN 0.585 nan 8.360 nan 0.000 0.478 347 A N 0.144 122.918 122.820 -0.076 0.000 2.251 347 A HA 0.103 4.422 4.320 -0.000 0.000 0.209 347 A C 1.738 179.290 177.584 -0.053 0.000 1.187 347 A CA 0.219 52.205 52.037 -0.085 0.000 0.823 347 A CB -0.052 18.873 19.000 -0.125 0.000 0.846 347 A HN 0.088 nan 8.150 nan 0.000 0.486 348 I N -1.037 119.514 120.570 -0.032 0.000 2.681 348 I HA 0.017 4.187 4.170 -0.000 0.000 0.247 348 I C 2.095 178.233 176.117 0.034 0.000 1.091 348 I CA 0.336 61.637 61.300 0.002 0.000 1.442 348 I CB -0.101 37.896 38.000 -0.005 0.000 1.219 348 I HN 0.199 nan 8.210 nan 0.000 0.451 349 I N 0.958 121.522 120.570 -0.009 0.000 2.185 349 I HA -0.340 3.830 4.170 -0.000 0.000 0.246 349 I C 2.412 178.555 176.117 0.045 0.000 1.088 349 I CA 1.655 62.944 61.300 -0.019 0.000 1.347 349 I CB -0.282 37.682 38.000 -0.060 0.000 1.041 349 I HN 0.282 nan 8.210 nan 0.000 0.415 350 L N -0.371 120.862 121.223 0.017 0.000 2.072 350 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 350 L C 2.612 179.501 176.870 0.031 0.000 1.079 350 L CA 1.304 56.153 54.840 0.015 0.000 0.752 350 L CB -0.803 41.241 42.059 -0.025 0.000 0.906 350 L HN 0.117 nan 8.230 nan 0.000 0.436 351 V N -0.402 119.527 119.914 0.026 0.000 2.407 351 V HA -0.320 3.799 4.120 -0.000 0.000 0.248 351 V C 2.337 178.458 176.094 0.045 0.000 1.055 351 V CA 1.570 63.877 62.300 0.012 0.000 1.049 351 V CB -0.438 31.383 31.823 -0.003 0.000 0.662 351 V HN 0.271 nan 8.190 nan 0.000 0.455 352 F N -0.023 119.897 119.950 -0.051 0.000 2.154 352 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 352 F C 2.001 177.796 175.800 -0.009 0.000 1.087 352 F CA 1.795 59.763 58.000 -0.053 0.000 1.274 352 F CB -0.027 38.924 39.000 -0.082 0.000 1.009 352 F HN 0.084 nan 8.300 nan 0.000 0.485 353 L N -1.256 120.092 121.223 0.208 0.000 2.072 353 L HA -0.166 4.174 4.340 -0.000 0.000 0.205 353 L C 2.293 179.229 176.870 0.110 0.000 1.079 353 L CA 0.766 55.713 54.840 0.178 0.000 0.752 353 L CB -0.992 41.152 42.059 0.142 0.000 0.906 353 L HN -0.043 nan 8.230 nan 0.000 0.436 354 V N -0.426 119.499 119.914 0.019 0.000 2.626 354 V HA -0.263 3.857 4.120 -0.000 0.000 0.252 354 V C 2.364 178.395 176.094 -0.104 0.000 1.067 354 V CA 1.553 63.807 62.300 -0.076 0.000 1.081 354 V CB -0.356 31.368 31.823 -0.166 0.000 0.686 354 V HN 0.352 nan 8.190 nan 0.000 0.468 355 M N -1.695 117.856 119.600 -0.081 0.000 2.419 355 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 355 M C 1.851 178.163 176.300 0.020 0.000 1.082 355 M CA 1.459 56.706 55.300 -0.089 0.000 1.119 355 M CB -0.275 32.211 32.600 -0.190 0.000 1.398 355 M HN 0.400 nan 8.290 nan 0.000 0.453 356 Y N -0.643 119.594 120.300 -0.104 0.000 2.347 356 Y HA 0.105 4.655 4.550 -0.000 0.000 0.294 356 Y C 1.559 177.530 175.900 0.118 0.000 1.117 356 Y CA 1.082 59.173 58.100 -0.015 0.000 1.184 356 Y CB 0.089 38.542 38.460 -0.011 0.000 1.047 356 Y HN 0.043 nan 8.280 nan 0.000 0.546 357 L N -1.562 119.793 121.223 0.219 0.000 2.275 357 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 357 L C 1.463 178.421 176.870 0.148 0.000 1.119 357 L CA 1.157 56.128 54.840 0.217 0.000 0.790 357 L CB -0.544 41.674 42.059 0.264 0.000 0.919 357 L HN 0.208 nan 8.230 nan 0.000 0.443 358 F N -0.187 119.689 119.950 -0.122 0.000 2.500 358 F HA 0.211 4.738 4.527 -0.000 0.000 0.285 358 F C 0.868 176.662 175.800 -0.010 0.000 1.088 358 F CA 0.004 57.912 58.000 -0.154 0.000 1.432 358 F CB 0.253 39.199 39.000 -0.090 0.000 1.131 358 F HN -0.177 nan 8.300 nan 0.000 0.582 359 L N 0.999 122.352 121.223 0.217 0.000 2.372 359 L HA 0.357 4.696 4.340 -0.000 0.000 0.274 359 L C 0.983 177.886 176.870 0.054 0.000 0.988 359 L CA -0.494 54.468 54.840 0.203 0.000 0.833 359 L CB 1.569 43.715 42.059 0.145 0.000 1.236 359 L HN 0.057 nan 8.230 nan 0.000 0.410 360 Q N 1.232 121.074 119.800 0.070 0.000 2.436 360 Q HA -0.002 4.338 4.340 -0.000 0.000 0.209 360 Q C -0.235 175.750 176.000 -0.024 0.000 0.965 360 Q CA 0.547 56.215 55.803 -0.224 0.000 0.910 360 Q CB -0.067 28.644 28.738 -0.045 0.000 0.980 360 Q HN 0.666 nan 8.270 nan 0.000 0.491 361 N N 1.550 120.301 118.700 0.085 0.000 2.429 361 N HA -0.054 4.685 4.740 -0.000 0.000 0.271 361 N C -0.000 175.668 175.510 0.264 0.000 1.272 361 N CA 0.092 53.241 53.050 0.166 0.000 0.921 361 N CB 0.304 38.860 38.487 0.116 0.000 1.128 361 N HN 0.231 nan 8.380 nan 0.000 0.481 362 F N 4.792 124.878 119.950 0.226 0.000 2.134 362 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 362 F C 2.465 178.339 175.800 0.123 0.000 1.097 362 F CA 1.242 59.378 58.000 0.227 0.000 1.264 362 F CB 0.216 39.341 39.000 0.208 0.000 1.001 362 F HN 0.462 nan 8.300 nan 0.000 0.479 363 R N 1.006 121.700 120.500 0.323 0.000 2.105 363 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 363 R C 2.147 178.487 176.300 0.066 0.000 1.135 363 R CA 1.450 57.667 56.100 0.195 0.000 0.967 363 R CB -1.873 28.541 30.300 0.190 0.000 0.861 363 R HN 0.373 nan 8.270 nan 0.000 0.442 364 A N 0.988 123.840 122.820 0.054 0.000 2.014 364 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 364 A C 1.770 179.316 177.584 -0.064 0.000 1.163 364 A CA 1.466 53.514 52.037 0.017 0.000 0.652 364 A CB -0.336 18.692 19.000 0.046 0.000 0.808 364 A HN 0.407 nan 8.150 nan 0.000 0.449 365 T N -0.337 114.114 114.554 -0.171 0.000 3.389 365 T HA 0.508 4.858 4.350 -0.000 0.000 0.238 365 T C 0.510 174.941 174.700 -0.448 0.000 1.178 365 T CA 0.030 61.887 62.100 -0.404 0.000 1.117 365 T CB -0.622 67.842 68.868 -0.672 0.000 1.177 365 T HN 0.327 nan 8.240 nan 0.000 0.653 366 L N 0.770 121.885 121.223 -0.181 0.000 1.998 366 L HA 0.277 4.617 4.340 -0.000 0.000 0.194 366 L C 1.850 178.726 176.870 0.009 0.000 1.198 366 L CA 0.248 55.055 54.840 -0.055 0.000 1.134 366 L CB -0.365 41.691 42.059 -0.004 0.000 2.366 366 L HN 0.304 nan 8.230 nan 0.000 0.504 367 I N 2.273 122.852 120.570 0.016 0.000 2.113 367 I HA -0.248 3.921 4.170 -0.000 0.000 0.242 367 I C -0.658 175.458 176.117 -0.001 0.000 1.064 367 I CA 1.825 63.141 61.300 0.025 0.000 1.320 367 I CB -1.953 36.067 38.000 0.033 0.000 1.028 367 I HN 0.290 nan 8.210 nan 0.000 0.406 368 P HA -0.037 nan 4.420 nan 0.000 0.225 368 P C 1.609 178.903 177.300 -0.010 0.000 1.156 368 P CA 1.180 64.268 63.100 -0.019 0.000 0.787 368 P CB -0.090 31.591 31.700 -0.031 0.000 0.802 369 T N -0.534 114.023 114.554 0.005 0.000 2.962 369 T HA 0.018 4.368 4.350 -0.000 0.000 0.270 369 T C 1.381 176.095 174.700 0.023 0.000 1.088 369 T CA 0.990 63.117 62.100 0.045 0.000 1.127 369 T CB -0.597 68.348 68.868 0.129 0.000 0.883 369 T HN 0.124 nan 8.240 nan 0.000 0.493 370 I N -0.107 120.463 120.570 -0.000 0.000 4.070 370 I HA 0.295 4.465 4.170 -0.000 0.000 0.328 370 I C 2.401 178.474 176.117 -0.073 0.000 1.298 370 I CA 0.033 61.310 61.300 -0.038 0.000 1.173 370 I CB -0.057 37.910 38.000 -0.056 0.000 1.051 370 I HN 0.028 nan 8.210 nan 0.000 0.409 371 A N 1.146 123.934 122.820 -0.054 0.000 2.119 371 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 371 A C 2.227 179.780 177.584 -0.053 0.000 1.152 371 A CA 1.525 53.526 52.037 -0.060 0.000 0.708 371 A CB -0.390 18.587 19.000 -0.039 0.000 0.805 371 A HN 0.335 nan 8.150 nan 0.000 0.460 372 V N -3.878 116.011 119.914 -0.043 0.000 3.048 372 V HA 0.110 4.230 4.120 -0.000 0.000 0.241 372 V C -0.557 175.507 176.094 -0.050 0.000 1.129 372 V CA 0.574 62.849 62.300 -0.043 0.000 1.128 372 V CB -1.220 30.584 31.823 -0.032 0.000 0.849 372 V HN 0.249 nan 8.190 nan 0.000 0.475 373 P HA -0.126 nan 4.420 nan 0.000 0.216 373 P C 1.962 179.235 177.300 -0.044 0.000 1.150 373 P CA 1.749 64.830 63.100 -0.032 0.000 0.843 373 P CB -0.070 31.619 31.700 -0.018 0.000 0.787 374 V N -0.191 119.685 119.914 -0.064 0.000 2.453 374 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 374 V C 2.802 178.853 176.094 -0.072 0.000 1.048 374 V CA 1.442 63.699 62.300 -0.071 0.000 1.049 374 V CB -0.990 30.769 31.823 -0.107 0.000 0.672 374 V HN -0.056 nan 8.190 nan 0.000 0.457 375 V N -0.392 119.476 119.914 -0.077 0.000 2.358 375 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 375 V C 2.352 178.370 176.094 -0.128 0.000 1.047 375 V CA 1.674 63.926 62.300 -0.080 0.000 1.035 375 V CB -0.519 31.268 31.823 -0.060 0.000 0.658 375 V HN 0.410 nan 8.190 nan 0.000 0.452 376 L N -0.602 120.527 121.223 -0.158 0.000 2.021 376 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 376 L C 2.393 178.963 176.870 -0.500 0.000 1.074 376 L CA 1.895 56.554 54.840 -0.301 0.000 0.760 376 L CB -0.459 41.471 42.059 -0.215 0.000 0.889 376 L HN 0.304 nan 8.230 nan 0.000 0.433 377 L N -1.415 119.672 121.223 -0.228 0.000 2.056 377 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 377 L C 2.644 179.494 176.870 -0.034 0.000 1.078 377 L CA 1.260 56.074 54.840 -0.044 0.000 0.749 377 L CB -1.262 40.848 42.059 0.084 0.000 0.901 377 L HN 0.363 nan 8.230 nan 0.000 0.433 378 G N -0.755 108.008 108.800 -0.061 0.000 2.450 378 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.220 378 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.220 378 G C 1.593 176.473 174.900 -0.033 0.000 1.130 378 G CA 1.345 46.427 45.100 -0.030 0.000 0.760 378 G HN 0.257 nan 8.290 nan 0.000 0.557 379 T N 0.740 115.224 114.554 -0.117 0.000 2.821 379 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 379 T C 2.028 176.727 174.700 -0.002 0.000 1.046 379 T CA 0.842 62.887 62.100 -0.091 0.000 1.139 379 T CB -0.339 68.421 68.868 -0.181 0.000 0.871 379 T HN 0.378 nan 8.240 nan 0.000 0.454 380 F N 1.407 121.385 119.950 0.045 0.000 2.126 380 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 380 F C 2.705 178.522 175.800 0.030 0.000 1.096 380 F CA 0.668 58.693 58.000 0.042 0.000 1.255 380 F CB -0.295 38.719 39.000 0.024 0.000 0.997 380 F HN 0.149 nan 8.300 nan 0.000 0.479 381 A N -0.324 122.609 122.820 0.187 0.000 2.066 381 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 381 A C 2.122 179.712 177.584 0.010 0.000 1.157 381 A CA 1.231 53.317 52.037 0.081 0.000 0.670 381 A CB -0.825 18.203 19.000 0.046 0.000 0.804 381 A HN 0.201 nan 8.150 nan 0.000 0.453 382 V N -0.116 119.811 119.914 0.023 0.000 2.535 382 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 382 V C 2.330 178.438 176.094 0.023 0.000 1.045 382 V CA 1.444 63.713 62.300 -0.050 0.000 1.058 382 V CB -0.750 31.098 31.823 0.042 0.000 0.689 382 V HN 0.550 nan 8.190 nan 0.000 0.461 383 L N 0.443 121.780 121.223 0.191 0.000 2.291 383 L HA 0.027 4.367 4.340 -0.000 0.000 0.214 383 L C 2.642 179.572 176.870 0.100 0.000 1.120 383 L CA 1.093 56.109 54.840 0.293 0.000 0.799 383 L CB -0.753 41.566 42.059 0.433 0.000 0.925 383 L HN 0.327 nan 8.230 nan 0.000 0.446 384 A N 0.398 123.256 122.820 0.064 0.000 1.929 384 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 384 A C 2.264 179.811 177.584 -0.062 0.000 1.176 384 A CA 1.333 53.375 52.037 0.008 0.000 0.628 384 A CB -0.395 18.616 19.000 0.019 0.000 0.816 384 A HN 0.333 nan 8.150 nan 0.000 0.444 385 A N -2.696 120.052 122.820 -0.120 0.000 2.337 385 A HA 0.531 4.850 4.320 -0.000 0.000 0.227 385 A C 1.228 178.638 177.584 -0.289 0.000 1.259 385 A CA 0.036 51.951 52.037 -0.204 0.000 0.870 385 A CB -0.509 18.337 19.000 -0.257 0.000 0.927 385 A HN 0.524 nan 8.150 nan 0.000 0.497 386 F N -2.428 117.377 119.950 -0.243 0.000 2.667 386 F HA 0.349 4.876 4.527 -0.000 0.000 0.288 386 F C 1.872 177.315 175.800 -0.595 0.000 1.086 386 F CA 0.519 58.268 58.000 -0.419 0.000 1.297 386 F CB 1.097 39.762 39.000 -0.558 0.000 1.059 386 F HN 0.394 nan 8.300 nan 0.000 0.624 387 G N 0.016 108.569 108.800 -0.412 0.000 2.813 387 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.194 387 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.194 387 G C 0.189 174.969 174.900 -0.200 0.000 1.010 387 G CA -0.526 44.390 45.100 -0.307 0.000 0.771 387 G HN 0.124 nan 8.290 nan 0.000 0.485 388 F N 2.301 122.303 119.950 0.086 0.000 2.173 388 F HA 0.645 5.172 4.527 -0.000 0.000 0.280 388 F C 1.328 177.160 175.800 0.053 0.000 1.175 388 F CA 0.067 58.100 58.000 0.054 0.000 1.166 388 F CB 0.376 39.405 39.000 0.049 0.000 1.589 388 F HN 0.278 nan 8.300 nan 0.000 0.513 389 S N -1.027 114.837 115.700 0.273 0.000 2.732 389 S HA 0.548 5.018 4.470 -0.000 0.000 0.293 389 S C -0.777 173.900 174.600 0.128 0.000 1.159 389 S CA -1.023 57.264 58.200 0.146 0.000 0.847 389 S CB 1.169 64.426 63.200 0.095 0.000 1.169 389 S HN 0.443 nan 8.310 nan 0.000 0.501 390 I N 2.583 123.194 120.570 0.068 0.000 2.472 390 I HA 0.109 4.279 4.170 -0.000 0.000 0.305 390 I C -0.022 176.100 176.117 0.007 0.000 1.196 390 I CA -0.110 61.217 61.300 0.045 0.000 1.613 390 I CB -1.191 36.801 38.000 -0.014 0.000 1.501 390 I HN 0.415 nan 8.210 nan 0.000 0.754 391 N N 3.101 121.809 118.700 0.012 0.000 2.493 391 N HA 0.166 4.906 4.740 -0.000 0.000 0.275 391 N C 1.296 176.734 175.510 -0.119 0.000 1.186 391 N CA -0.170 52.853 53.050 -0.045 0.000 0.978 391 N CB 1.349 39.829 38.487 -0.013 0.000 1.184 391 N HN 0.283 nan 8.380 nan 0.000 0.487 392 T N 1.023 115.420 114.554 -0.262 0.000 2.737 392 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 392 T C 1.960 176.490 174.700 -0.284 0.000 1.040 392 T CA 1.124 62.980 62.100 -0.406 0.000 1.142 392 T CB -0.111 68.299 68.868 -0.763 0.000 0.861 392 T HN 0.344 nan 8.240 nan 0.000 0.456 393 L N 0.834 121.989 121.223 -0.113 0.000 2.023 393 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 393 L C 2.586 179.473 176.870 0.027 0.000 1.073 393 L CA 1.467 56.304 54.840 -0.006 0.000 0.745 393 L CB -0.454 41.601 42.059 -0.007 0.000 0.900 393 L HN 0.357 nan 8.230 nan 0.000 0.435 394 T N -3.402 111.152 114.554 -0.000 0.000 3.380 394 T HA 0.038 4.388 4.350 -0.000 0.000 0.250 394 T C 1.242 175.994 174.700 0.087 0.000 1.082 394 T CA 0.113 62.232 62.100 0.031 0.000 0.968 394 T CB 0.215 69.096 68.868 0.022 0.000 1.027 394 T HN 0.056 nan 8.240 nan 0.000 0.575 395 M N -0.667 118.988 119.600 0.091 0.000 2.740 395 M HA 0.443 4.923 4.480 -0.000 0.000 0.253 395 M C 1.511 177.953 176.300 0.238 0.000 1.341 395 M CA -0.062 55.320 55.300 0.136 0.000 1.176 395 M CB -0.801 31.842 32.600 0.071 0.000 1.310 395 M HN 0.359 nan 8.290 nan 0.000 0.531 396 F N 0.405 120.348 119.950 -0.012 0.000 2.333 396 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 396 F C 2.120 177.926 175.800 0.009 0.000 1.083 396 F CA 0.734 58.729 58.000 -0.009 0.000 1.395 396 F CB -0.089 38.928 39.000 0.027 0.000 1.056 396 F HN 0.281 nan 8.300 nan 0.000 0.529 397 G N -0.593 108.321 108.800 0.191 0.000 2.572 397 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 397 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 397 G C 1.449 176.382 174.900 0.056 0.000 1.133 397 G CA 0.191 45.346 45.100 0.092 0.000 0.791 397 G HN 0.120 nan 8.290 nan 0.000 0.538 398 M N 0.581 120.212 119.600 0.053 0.000 2.558 398 M HA 0.171 4.650 4.480 -0.000 0.000 0.255 398 M C 2.076 178.366 176.300 -0.017 0.000 1.113 398 M CA 0.467 55.768 55.300 0.001 0.000 1.097 398 M CB 0.023 32.627 32.600 0.005 0.000 1.426 398 M HN 0.115 nan 8.290 nan 0.000 0.488 399 V N -0.435 119.466 119.914 -0.022 0.000 2.627 399 V HA -0.059 4.061 4.120 -0.000 0.000 0.239 399 V C 2.211 178.234 176.094 -0.118 0.000 1.077 399 V CA 0.422 62.664 62.300 -0.097 0.000 1.103 399 V CB -0.706 31.017 31.823 -0.166 0.000 0.802 399 V HN 0.260 nan 8.190 nan 0.000 0.482 400 L N 1.427 122.606 121.223 -0.073 0.000 2.129 400 L HA -0.175 4.164 4.340 -0.000 0.000 0.212 400 L C 2.347 179.263 176.870 0.077 0.000 1.087 400 L CA 2.412 57.255 54.840 0.006 0.000 0.757 400 L CB -0.788 41.318 42.059 0.078 0.000 0.896 400 L HN 0.271 nan 8.230 nan 0.000 0.434 401 A N -0.504 122.351 122.820 0.059 0.000 1.854 401 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 401 A C 2.245 179.848 177.584 0.032 0.000 1.192 401 A CA 1.677 53.759 52.037 0.075 0.000 0.611 401 A CB -0.837 18.189 19.000 0.045 0.000 0.832 401 A HN 0.418 nan 8.150 nan 0.000 0.442 402 I N 0.092 120.643 120.570 -0.032 0.000 2.191 402 I HA -0.388 3.781 4.170 -0.000 0.000 0.248 402 I C 2.552 178.640 176.117 -0.048 0.000 1.061 402 I CA 1.498 62.762 61.300 -0.060 0.000 1.329 402 I CB -0.456 37.482 38.000 -0.103 0.000 1.024 402 I HN 0.437 nan 8.210 nan 0.000 0.423 403 G N 0.160 108.910 108.800 -0.082 0.000 2.511 403 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 403 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 403 G C 1.073 176.148 174.900 0.293 0.000 1.218 403 G CA 0.137 45.274 45.100 0.061 0.000 0.788 403 G HN 0.319 nan 8.290 nan 0.000 0.560 404 L N 1.063 122.458 121.223 0.286 0.000 2.416 404 L HA 0.427 4.767 4.340 -0.000 0.000 0.243 404 L C 0.464 177.377 176.870 0.071 0.000 1.373 404 L CA -0.084 54.843 54.840 0.145 0.000 1.227 404 L CB -0.178 41.942 42.059 0.103 0.000 1.428 404 L HN 0.303 nan 8.230 nan 0.000 0.425 405 L N -0.278 120.978 121.223 0.055 0.000 1.382 405 L HA -0.019 4.321 4.340 -0.000 0.000 0.119 405 L C 1.523 178.399 176.870 0.010 0.000 1.393 405 L CA 0.238 55.090 54.840 0.020 0.000 1.170 405 L CB -0.021 42.042 42.059 0.007 0.000 2.429 405 L HN 0.114 nan 8.230 nan 0.000 0.470 406 V N -0.998 118.925 119.914 0.016 0.000 2.667 406 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 406 V C 1.879 177.981 176.094 0.014 0.000 1.065 406 V CA 1.999 64.303 62.300 0.006 0.000 1.083 406 V CB -0.749 31.073 31.823 -0.001 0.000 0.692 406 V HN 0.552 nan 8.190 nan 0.000 0.468 407 D N 1.043 121.464 120.400 0.036 0.000 2.133 407 D HA -0.290 4.350 4.640 -0.000 0.000 0.195 407 D C 1.920 178.225 176.300 0.009 0.000 0.997 407 D CA 1.935 55.950 54.000 0.025 0.000 0.840 407 D CB -0.291 40.528 40.800 0.032 0.000 0.947 407 D HN 0.414 nan 8.370 nan 0.000 0.452 408 D N -0.975 119.429 120.400 0.007 0.000 2.183 408 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 408 D C 1.945 178.248 176.300 0.006 0.000 0.969 408 D CA 1.031 55.032 54.000 0.002 0.000 0.842 408 D CB -0.008 40.788 40.800 -0.005 0.000 0.957 408 D HN 0.335 nan 8.370 nan 0.000 0.484 409 A N 0.906 123.727 122.820 0.003 0.000 1.854 409 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 409 A C 2.390 179.979 177.584 0.008 0.000 1.192 409 A CA 0.702 52.740 52.037 0.002 0.000 0.611 409 A CB -0.815 18.181 19.000 -0.007 0.000 0.832 409 A HN 0.209 nan 8.150 nan 0.000 0.442 410 I N -0.220 120.351 120.570 0.003 0.000 2.147 410 I HA -0.344 3.825 4.170 -0.000 0.000 0.245 410 I C 2.405 178.537 176.117 0.026 0.000 1.059 410 I CA 1.833 63.135 61.300 0.003 0.000 1.320 410 I CB -0.348 37.645 38.000 -0.012 0.000 1.021 410 I HN 0.205 nan 8.210 nan 0.000 0.415 411 V N 0.421 120.358 119.914 0.038 0.000 2.244 411 V HA -0.254 3.866 4.120 -0.000 0.000 0.244 411 V C 2.406 178.551 176.094 0.085 0.000 1.042 411 V CA 2.017 64.361 62.300 0.073 0.000 1.006 411 V CB -0.686 31.185 31.823 0.080 0.000 0.641 411 V HN 0.348 nan 8.190 nan 0.000 0.446 412 V N -0.577 119.377 119.914 0.066 0.000 2.252 412 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 412 V C 2.354 178.483 176.094 0.058 0.000 1.056 412 V CA 2.111 64.449 62.300 0.064 0.000 1.022 412 V CB -1.278 30.572 31.823 0.044 0.000 0.641 412 V HN 0.336 nan 8.190 nan 0.000 0.445 413 V N 1.950 121.891 119.914 0.045 0.000 2.231 413 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 413 V C 2.762 178.884 176.094 0.048 0.000 1.058 413 V CA 2.787 65.111 62.300 0.041 0.000 1.022 413 V CB -0.866 30.973 31.823 0.028 0.000 0.640 413 V HN 0.899 nan 8.190 nan 0.000 0.445 414 E N 0.129 120.359 120.200 0.050 0.000 2.299 414 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 414 E C 1.685 178.315 176.600 0.050 0.000 0.998 414 E CA 1.451 57.884 56.400 0.055 0.000 0.851 414 E CB -0.795 28.941 29.700 0.060 0.000 0.795 414 E HN 0.670 nan 8.360 nan 0.000 0.492 415 N N -0.050 118.683 118.700 0.054 0.000 2.381 415 N HA -0.095 4.644 4.740 -0.000 0.000 0.182 415 N C 1.178 176.711 175.510 0.038 0.000 1.025 415 N CA 1.108 54.182 53.050 0.041 0.000 0.888 415 N CB 0.206 38.749 38.487 0.094 0.000 0.965 415 N HN 0.107 nan 8.380 nan 0.000 0.438 416 V N 0.205 120.147 119.914 0.047 0.000 2.323 416 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 416 V C 2.079 178.196 176.094 0.039 0.000 1.041 416 V CA 1.645 63.970 62.300 0.042 0.000 1.025 416 V CB -0.709 31.141 31.823 0.045 0.000 0.656 416 V HN 0.328 nan 8.190 nan 0.000 0.451 417 E N 0.606 120.833 120.200 0.046 0.000 2.209 417 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 417 E C 2.287 178.918 176.600 0.051 0.000 0.993 417 E CA 1.576 58.008 56.400 0.053 0.000 0.819 417 E CB -0.172 29.568 29.700 0.068 0.000 0.745 417 E HN 0.659 nan 8.360 nan 0.000 0.477 418 R N -0.492 120.030 120.500 0.038 0.000 2.057 418 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 418 R C 2.066 178.380 176.300 0.022 0.000 1.136 418 R CA 1.544 57.661 56.100 0.028 0.000 0.952 418 R CB -0.734 29.561 30.300 -0.008 0.000 0.848 418 R HN 0.083 nan 8.270 nan 0.000 0.430 419 V N 1.737 121.660 119.914 0.015 0.000 2.688 419 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 419 V C 1.700 177.805 176.094 0.018 0.000 1.084 419 V CA 1.602 63.910 62.300 0.014 0.000 1.103 419 V CB -0.363 31.470 31.823 0.017 0.000 0.688 419 V HN 0.418 nan 8.190 nan 0.000 0.480 420 M N -0.815 118.799 119.600 0.024 0.000 3.057 420 M HA 0.442 4.922 4.480 -0.000 0.000 0.246 420 M C 0.613 176.926 176.300 0.021 0.000 1.289 420 M CA 0.612 55.925 55.300 0.022 0.000 1.161 420 M CB 0.237 32.853 32.600 0.026 0.000 1.302 420 M HN 0.318 nan 8.290 nan 0.000 0.483 421 A N -0.668 122.163 122.820 0.020 0.000 1.920 421 A HA 0.014 4.334 4.320 -0.000 0.000 0.204 421 A C 1.386 178.979 177.584 0.015 0.000 1.850 421 A CA -0.048 52.000 52.037 0.019 0.000 1.593 421 A CB -0.248 18.779 19.000 0.046 0.000 1.470 421 A HN 0.344 nan 8.150 nan 0.000 0.377 422 E N 0.735 120.950 120.200 0.025 0.000 2.147 422 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 422 E C 0.717 177.319 176.600 0.003 0.000 1.005 422 E CA 1.823 58.233 56.400 0.015 0.000 0.810 422 E CB 0.079 29.787 29.700 0.012 0.000 0.736 422 E HN 0.646 nan 8.360 nan 0.000 0.460 423 E N -1.569 118.633 120.200 0.004 0.000 2.876 423 E HA 0.172 4.522 4.350 -0.000 0.000 0.208 423 E C 0.105 176.704 176.600 -0.002 0.000 0.981 423 E CA 0.311 56.711 56.400 -0.000 0.000 1.174 423 E CB 0.677 30.378 29.700 0.002 0.000 1.047 423 E HN 0.222 nan 8.360 nan 0.000 0.477 424 G N 2.540 111.339 108.800 -0.002 0.000 2.144 424 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 424 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 424 G C 0.002 174.901 174.900 -0.001 0.000 0.780 424 G CA 0.383 45.481 45.100 -0.004 0.000 1.183 424 G HN 0.304 nan 8.290 nan 0.000 0.345 425 L N 2.986 124.211 121.223 0.004 0.000 2.487 425 L HA 0.163 4.503 4.340 -0.000 0.000 0.261 425 L C -1.826 175.050 176.870 0.011 0.000 1.223 425 L CA -1.084 53.760 54.840 0.006 0.000 0.883 425 L CB 2.034 44.096 42.059 0.007 0.000 1.065 425 L HN 0.142 nan 8.230 nan 0.000 0.488 426 P HA -0.019 nan 4.420 nan 0.000 0.220 426 P C -1.830 175.479 177.300 0.015 0.000 1.148 426 P CA 0.459 63.568 63.100 0.015 0.000 0.803 426 P CB -0.601 31.106 31.700 0.012 0.000 0.782 427 P HA -0.033 nan 4.420 nan 0.000 0.280 427 P C 1.039 178.346 177.300 0.011 0.000 1.278 427 P CA 0.040 63.146 63.100 0.009 0.000 0.787 427 P CB 0.749 32.452 31.700 0.005 0.000 1.163 428 K N 0.319 120.724 120.400 0.008 0.000 2.052 428 K HA -0.227 4.093 4.320 -0.000 0.000 0.215 428 K C 1.762 178.369 176.600 0.011 0.000 1.053 428 K CA 2.093 58.385 56.287 0.007 0.000 0.934 428 K CB -0.535 31.965 32.500 0.000 0.000 0.717 428 K HN 0.462 nan 8.250 nan 0.000 0.450 429 E N -0.087 120.118 120.200 0.009 0.000 2.427 429 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 429 E C 1.576 178.185 176.600 0.014 0.000 1.028 429 E CA 0.615 57.021 56.400 0.010 0.000 0.864 429 E CB 0.041 29.745 29.700 0.007 0.000 0.813 429 E HN 0.337 nan 8.360 nan 0.000 0.514 430 A N 0.404 123.233 122.820 0.016 0.000 1.821 430 A HA -0.212 4.107 4.320 -0.000 0.000 0.215 430 A C 2.301 179.901 177.584 0.026 0.000 1.214 430 A CA 2.211 54.260 52.037 0.020 0.000 0.608 430 A CB -1.355 17.657 19.000 0.020 0.000 0.862 430 A HN 0.344 nan 8.150 nan 0.000 0.448 431 T N -0.419 114.152 114.554 0.028 0.000 2.731 431 T HA -0.372 3.978 4.350 -0.000 0.000 0.263 431 T C 1.905 176.623 174.700 0.031 0.000 1.033 431 T CA 2.204 64.323 62.100 0.033 0.000 1.160 431 T CB -0.448 68.439 68.868 0.032 0.000 0.849 431 T HN 0.543 nan 8.240 nan 0.000 0.469 432 R N 1.239 121.754 120.500 0.025 0.000 2.061 432 R HA -0.002 4.338 4.340 -0.000 0.000 0.230 432 R C 2.128 178.443 176.300 0.025 0.000 1.140 432 R CA 1.359 57.472 56.100 0.022 0.000 0.940 432 R CB -0.069 30.241 30.300 0.016 0.000 0.839 432 R HN 0.198 nan 8.270 nan 0.000 0.429 433 K N -0.005 120.411 120.400 0.025 0.000 2.459 433 K HA 0.038 4.358 4.320 -0.000 0.000 0.193 433 K C 1.741 178.366 176.600 0.042 0.000 1.030 433 K CA 0.897 57.201 56.287 0.028 0.000 1.026 433 K CB 0.392 32.906 32.500 0.023 0.000 0.809 433 K HN 0.290 nan 8.250 nan 0.000 0.504 434 S N 0.143 115.871 115.700 0.047 0.000 2.387 434 S HA -0.089 4.380 4.470 -0.000 0.000 0.226 434 S C 1.791 176.441 174.600 0.083 0.000 1.026 434 S CA 0.763 59.004 58.200 0.068 0.000 0.972 434 S CB -0.159 63.078 63.200 0.061 0.000 0.814 434 S HN 0.093 nan 8.310 nan 0.000 0.477 435 M N 1.649 121.284 119.600 0.057 0.000 2.476 435 M HA 0.130 4.610 4.480 -0.000 0.000 0.262 435 M C 2.346 178.666 176.300 0.033 0.000 1.079 435 M CA 1.088 56.414 55.300 0.045 0.000 1.104 435 M CB -1.955 30.663 32.600 0.029 0.000 1.409 435 M HN 0.547 nan 8.290 nan 0.000 0.467 436 G N 0.689 109.511 108.800 0.037 0.000 2.469 436 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 436 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 436 G C 1.621 176.542 174.900 0.035 0.000 1.150 436 G CA 0.556 45.672 45.100 0.027 0.000 0.763 436 G HN 0.477 nan 8.290 nan 0.000 0.561 437 Q N -0.452 119.399 119.800 0.086 0.000 2.204 437 Q HA 0.153 4.492 4.340 -0.000 0.000 0.198 437 Q C 2.671 178.702 176.000 0.051 0.000 0.946 437 Q CA 0.522 56.407 55.803 0.137 0.000 0.859 437 Q CB 0.148 29.091 28.738 0.341 0.000 0.946 437 Q HN 0.562 nan 8.270 nan 0.000 0.474 438 I N 1.038 121.653 120.570 0.074 0.000 2.385 438 I HA -0.249 3.921 4.170 -0.000 0.000 0.244 438 I C 2.578 178.666 176.117 -0.049 0.000 1.089 438 I CA 0.968 62.277 61.300 0.014 0.000 1.410 438 I CB -0.301 37.754 38.000 0.092 0.000 1.117 438 I HN 0.107 nan 8.210 nan 0.000 0.429 439 Q N 1.855 121.640 119.800 -0.024 0.000 2.197 439 Q HA -0.145 4.195 4.340 -0.000 0.000 0.207 439 Q C 2.036 177.992 176.000 -0.072 0.000 0.984 439 Q CA 2.173 57.954 55.803 -0.037 0.000 0.869 439 Q CB -1.153 27.573 28.738 -0.020 0.000 0.906 439 Q HN 0.433 nan 8.270 nan 0.000 0.426 440 G N 0.577 109.317 108.800 -0.100 0.000 2.421 440 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 440 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 440 G C 1.586 176.373 174.900 -0.188 0.000 1.171 440 G CA 1.097 46.105 45.100 -0.154 0.000 0.775 440 G HN 0.607 nan 8.290 nan 0.000 0.543 441 A N 0.621 123.334 122.820 -0.179 0.000 1.902 441 A HA 0.082 4.401 4.320 -0.000 0.000 0.217 441 A C 2.438 179.972 177.584 -0.083 0.000 1.181 441 A CA 1.299 53.254 52.037 -0.138 0.000 0.623 441 A CB -0.440 18.445 19.000 -0.191 0.000 0.818 441 A HN 0.352 nan 8.150 nan 0.000 0.443 442 L N -0.264 120.913 121.223 -0.077 0.000 2.131 442 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 442 L C 1.189 178.036 176.870 -0.039 0.000 1.092 442 L CA 0.856 55.667 54.840 -0.048 0.000 0.759 442 L CB -0.319 41.719 42.059 -0.034 0.000 0.903 442 L HN 0.253 nan 8.230 nan 0.000 0.435 443 V N -0.763 119.123 119.914 -0.047 0.000 3.189 443 V HA 0.243 4.362 4.120 -0.000 0.000 0.366 443 V C 1.273 177.347 176.094 -0.034 0.000 1.313 443 V CA 0.707 62.986 62.300 -0.036 0.000 1.302 443 V CB -0.109 31.692 31.823 -0.037 0.000 1.260 443 V HN 0.440 nan 8.190 nan 0.000 0.484 444 G N 1.016 109.803 108.800 -0.022 0.000 2.735 444 G HA2 0.062 4.022 3.960 -0.000 0.000 0.204 444 G HA3 0.062 4.022 3.960 -0.000 0.000 0.204 444 G C 1.171 176.089 174.900 0.031 0.000 1.218 444 G CA 0.627 45.743 45.100 0.027 0.000 0.612 444 G HN 0.512 nan 8.290 nan 0.000 0.913 445 I N 0.897 121.472 120.570 0.009 0.000 2.264 445 I HA 0.029 4.199 4.170 -0.000 0.000 0.248 445 I C 2.762 178.852 176.117 -0.045 0.000 1.111 445 I CA 1.851 63.134 61.300 -0.030 0.000 1.382 445 I CB -0.629 37.345 38.000 -0.044 0.000 1.060 445 I HN 0.124 nan 8.210 nan 0.000 0.418 446 A N 0.977 123.778 122.820 -0.031 0.000 1.892 446 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 446 A C 2.432 180.002 177.584 -0.023 0.000 1.188 446 A CA 2.437 54.458 52.037 -0.027 0.000 0.631 446 A CB -0.730 18.261 19.000 -0.015 0.000 0.822 446 A HN 0.598 nan 8.150 nan 0.000 0.447 447 M N 0.129 119.722 119.600 -0.012 0.000 2.563 447 M HA 0.053 4.532 4.480 -0.000 0.000 0.231 447 M C 1.223 177.518 176.300 -0.009 0.000 1.136 447 M CA 0.651 55.950 55.300 -0.002 0.000 1.026 447 M CB 0.127 32.733 32.600 0.009 0.000 1.597 447 M HN 0.461 nan 8.290 nan 0.000 0.495 448 V N -4.377 115.519 119.914 -0.031 0.000 3.219 448 V HA 0.041 4.161 4.120 -0.000 0.000 0.240 448 V C 1.751 177.791 176.094 -0.091 0.000 1.222 448 V CA -0.153 62.120 62.300 -0.045 0.000 1.181 448 V CB -0.506 31.288 31.823 -0.049 0.000 0.941 448 V HN 0.228 nan 8.190 nan 0.000 0.471 449 L N 2.782 123.922 121.223 -0.138 0.000 2.197 449 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 449 L C 2.415 179.168 176.870 -0.195 0.000 1.095 449 L CA 2.664 57.350 54.840 -0.257 0.000 0.764 449 L CB -0.881 41.028 42.059 -0.251 0.000 0.897 449 L HN 0.793 nan 8.230 nan 0.000 0.436 450 S N -1.982 113.675 115.700 -0.073 0.000 2.803 450 S HA 0.292 4.762 4.470 -0.000 0.000 0.228 450 S C 1.141 175.746 174.600 0.008 0.000 0.953 450 S CA 0.452 58.650 58.200 -0.003 0.000 0.983 450 S CB 0.170 63.377 63.200 0.011 0.000 0.784 450 S HN 0.395 nan 8.310 nan 0.000 0.498 451 A N 0.507 123.324 122.820 -0.004 0.000 1.660 451 A HA 0.292 4.611 4.320 -0.000 0.000 0.204 451 A C 1.670 179.266 177.584 0.020 0.000 1.880 451 A CA 0.470 52.511 52.037 0.006 0.000 1.437 451 A CB -0.680 18.325 19.000 0.007 0.000 1.444 451 A HN 1.084 nan 8.150 nan 0.000 0.360 452 V N -2.607 117.311 119.914 0.007 0.000 2.828 452 V HA -0.122 3.997 4.120 -0.000 0.000 0.260 452 V C 1.776 177.994 176.094 0.208 0.000 1.101 452 V CA 2.320 64.652 62.300 0.053 0.000 1.123 452 V CB -0.925 30.878 31.823 -0.033 0.000 0.704 452 V HN 0.333 nan 8.190 nan 0.000 0.493 453 F N 0.290 120.189 119.950 -0.084 0.000 2.536 453 F HA 0.329 4.855 4.527 -0.000 0.000 0.278 453 F C 2.210 177.919 175.800 -0.152 0.000 0.945 453 F CA 0.999 58.939 58.000 -0.100 0.000 1.244 453 F CB -0.164 38.797 39.000 -0.064 0.000 1.118 453 F HN 0.056 nan 8.300 nan 0.000 0.725 454 V N -0.486 119.433 119.914 0.009 0.000 2.599 454 V HA 0.022 4.142 4.120 -0.000 0.000 0.245 454 V C -0.766 175.002 176.094 -0.543 0.000 1.046 454 V CA 0.736 62.909 62.300 -0.213 0.000 1.065 454 V CB -2.366 29.359 31.823 -0.164 0.000 0.703 454 V HN 0.070 nan 8.190 nan 0.000 0.464 455 P HA -0.204 nan 4.420 nan 0.000 0.218 455 P C 1.940 179.089 177.300 -0.253 0.000 1.148 455 P CA 1.575 64.408 63.100 -0.445 0.000 0.822 455 P CB -0.138 31.502 31.700 -0.100 0.000 0.784 456 M N 0.058 119.534 119.600 -0.207 0.000 2.296 456 M HA -0.014 4.466 4.480 -0.000 0.000 0.265 456 M C 1.328 177.544 176.300 -0.139 0.000 1.064 456 M CA 1.366 56.540 55.300 -0.210 0.000 1.109 456 M CB -0.865 31.574 32.600 -0.269 0.000 1.396 456 M HN -0.165 nan 8.290 nan 0.000 0.430 457 A N -0.226 122.489 122.820 -0.175 0.000 2.416 457 A HA 0.125 4.445 4.320 -0.000 0.000 0.252 457 A C -0.184 177.487 177.584 0.144 0.000 1.353 457 A CA -0.234 51.766 52.037 -0.061 0.000 0.996 457 A CB -1.165 17.741 19.000 -0.158 0.000 0.961 457 A HN 0.390 nan 8.150 nan 0.000 0.523 458 F N 1.232 121.289 119.950 0.178 0.000 2.975 458 F HA 0.303 4.830 4.527 -0.000 0.000 0.311 458 F C 0.279 176.052 175.800 -0.046 0.000 1.239 458 F CA -2.562 55.480 58.000 0.070 0.000 1.282 458 F CB -1.323 37.636 39.000 -0.068 0.000 1.071 458 F HN 0.348 nan 8.300 nan 0.000 0.516 459 F N -0.699 119.348 119.950 0.162 0.000 2.010 459 F HA 0.109 4.636 4.527 -0.000 0.000 0.353 459 F C 0.616 176.453 175.800 0.062 0.000 0.701 459 F CA -0.440 57.620 58.000 0.099 0.000 0.941 459 F CB -0.677 38.362 39.000 0.064 0.000 0.806 459 F HN 0.326 nan 8.300 nan 0.000 0.577 460 G N 2.238 111.114 108.800 0.127 0.000 3.418 460 G HA2 0.679 4.639 3.960 -0.000 0.000 0.325 460 G HA3 0.679 4.639 3.960 -0.000 0.000 0.325 460 G C 0.234 175.129 174.900 -0.007 0.000 1.556 460 G CA 0.235 45.335 45.100 -0.001 0.000 1.047 460 G HN 1.974 nan 8.290 nan 0.000 0.500 461 G N 1.398 110.212 108.800 0.024 0.000 2.498 461 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.251 461 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.251 461 G C 1.480 176.398 174.900 0.030 0.000 1.170 461 G CA 0.578 45.684 45.100 0.011 0.000 0.944 461 G HN 1.260 nan 8.290 nan 0.000 0.567 462 S N -0.117 115.576 115.700 -0.012 0.000 2.440 462 S HA 0.031 4.501 4.470 -0.000 0.000 0.238 462 S C 1.555 176.145 174.600 -0.018 0.000 1.010 462 S CA 2.214 60.412 58.200 -0.003 0.000 0.972 462 S CB -0.388 62.802 63.200 -0.015 0.000 0.774 462 S HN 0.959 nan 8.310 nan 0.000 0.501 463 T N 1.582 116.090 114.554 -0.076 0.000 3.540 463 T HA 0.399 4.749 4.350 -0.000 0.000 0.269 463 T C 1.098 175.814 174.700 0.026 0.000 1.481 463 T CA 0.039 62.095 62.100 -0.073 0.000 1.224 463 T CB 0.511 69.225 68.868 -0.258 0.000 1.192 463 T HN 0.403 nan 8.240 nan 0.000 0.756 464 G N 1.602 110.440 108.800 0.063 0.000 2.624 464 G HA2 0.149 4.109 3.960 -0.000 0.000 0.216 464 G HA3 0.149 4.109 3.960 -0.000 0.000 0.216 464 G C 1.444 176.308 174.900 -0.060 0.000 1.274 464 G CA 0.321 45.493 45.100 0.121 0.000 0.856 464 G HN 0.596 nan 8.290 nan 0.000 0.555 465 A N -0.535 122.214 122.820 -0.118 0.000 2.265 465 A HA 0.404 4.724 4.320 -0.000 0.000 0.213 465 A C 1.771 179.258 177.584 -0.162 0.000 1.255 465 A CA 0.317 52.230 52.037 -0.208 0.000 0.862 465 A CB -0.305 18.607 19.000 -0.148 0.000 0.852 465 A HN 0.279 nan 8.150 nan 0.000 0.484 466 I N -2.320 118.180 120.570 -0.117 0.000 2.834 466 I HA 0.013 4.183 4.170 -0.000 0.000 0.239 466 I C 1.906 177.945 176.117 -0.130 0.000 1.073 466 I CA 1.241 62.450 61.300 -0.151 0.000 1.459 466 I CB -0.573 37.326 38.000 -0.169 0.000 1.288 466 I HN 0.443 nan 8.210 nan 0.000 0.455 467 Y N 0.156 120.433 120.300 -0.039 0.000 2.519 467 Y HA -0.010 4.540 4.550 -0.000 0.000 0.287 467 Y C 2.611 178.440 175.900 -0.117 0.000 1.128 467 Y CA 0.134 58.189 58.100 -0.075 0.000 1.282 467 Y CB 0.056 38.493 38.460 -0.038 0.000 1.027 467 Y HN 0.077 nan 8.280 nan 0.000 0.551 468 R N 1.151 121.658 120.500 0.010 0.000 2.070 468 R HA -0.096 4.244 4.340 -0.000 0.000 0.227 468 R C 0.639 176.770 176.300 -0.281 0.000 1.147 468 R CA 0.998 57.007 56.100 -0.152 0.000 0.924 468 R CB -0.243 29.775 30.300 -0.470 0.000 0.827 468 R HN 0.331 nan 8.270 nan 0.000 0.431 472 I N 1.672 122.170 120.570 -0.120 0.000 4.373 472 I HA -0.386 3.784 4.170 -0.000 0.000 0.087 472 I C 1.581 177.724 176.117 0.044 0.000 0.608 472 I CA 3.810 65.097 61.300 -0.022 0.000 0.915 472 I CB -1.952 35.999 38.000 -0.082 0.000 0.816 472 I HN 0.847 nan 8.210 nan 0.000 0.190 473 T N 2.182 116.706 114.554 -0.050 0.000 2.597 473 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 473 T C 1.811 176.526 174.700 0.024 0.000 1.053 473 T CA 3.227 65.328 62.100 0.001 0.000 1.165 473 T CB -0.727 68.100 68.868 -0.069 0.000 0.863 473 T HN 0.687 nan 8.240 nan 0.000 0.427 474 I N 0.696 121.252 120.570 -0.023 0.000 2.194 474 I HA -0.161 4.009 4.170 -0.000 0.000 0.246 474 I C 2.506 178.762 176.117 0.232 0.000 1.093 474 I CA 1.102 62.460 61.300 0.098 0.000 1.355 474 I CB -0.919 37.155 38.000 0.125 0.000 1.046 474 I HN 0.077 nan 8.210 nan 0.000 0.413 475 V N 1.290 121.331 119.914 0.212 0.000 2.379 475 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 475 V C 2.816 178.998 176.094 0.147 0.000 1.044 475 V CA 2.058 64.491 62.300 0.221 0.000 1.036 475 V CB -0.421 31.515 31.823 0.188 0.000 0.664 475 V HN 0.655 nan 8.190 nan 0.000 0.453 476 S N 1.414 117.201 115.700 0.144 0.000 2.380 476 S HA -0.276 4.193 4.470 -0.000 0.000 0.229 476 S C 2.085 176.726 174.600 0.068 0.000 1.043 476 S CA 1.721 59.992 58.200 0.119 0.000 1.038 476 S CB -0.759 62.525 63.200 0.139 0.000 0.872 476 S HN 0.609 nan 8.310 nan 0.000 0.456 477 A N 2.533 125.390 122.820 0.062 0.000 1.969 477 A HA 0.083 4.402 4.320 -0.000 0.000 0.218 477 A C 2.369 179.976 177.584 0.038 0.000 1.169 477 A CA 1.639 53.693 52.037 0.029 0.000 0.635 477 A CB -0.800 18.217 19.000 0.028 0.000 0.810 477 A HN 0.805 nan 8.150 nan 0.000 0.445 478 M N -0.730 118.910 119.600 0.067 0.000 2.132 478 M HA 0.013 4.492 4.480 -0.000 0.000 0.263 478 M C 1.991 178.303 176.300 0.020 0.000 1.065 478 M CA 1.982 57.303 55.300 0.034 0.000 1.122 478 M CB -0.272 32.343 32.600 0.025 0.000 1.365 478 M HN 0.249 nan 8.290 nan 0.000 0.411 479 A N 0.366 123.207 122.820 0.036 0.000 2.123 479 A HA 0.199 4.518 4.320 -0.000 0.000 0.214 479 A C 1.925 179.520 177.584 0.018 0.000 1.152 479 A CA 0.497 52.552 52.037 0.029 0.000 0.728 479 A CB -0.522 18.507 19.000 0.049 0.000 0.814 479 A HN 0.603 nan 8.150 nan 0.000 0.464 480 L N -0.132 121.099 121.223 0.013 0.000 2.416 480 L HA -0.030 4.310 4.340 -0.000 0.000 0.216 480 L C 2.695 179.558 176.870 -0.012 0.000 1.098 480 L CA 1.068 55.906 54.840 -0.003 0.000 0.840 480 L CB -0.010 42.042 42.059 -0.013 0.000 0.981 480 L HN 0.522 nan 8.230 nan 0.000 0.462 481 S N -1.261 114.434 115.700 -0.008 0.000 2.436 481 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 481 S C 1.810 176.404 174.600 -0.010 0.000 1.014 481 S CA 0.523 58.716 58.200 -0.012 0.000 0.950 481 S CB -0.274 62.922 63.200 -0.007 0.000 0.784 481 S HN 0.111 nan 8.310 nan 0.000 0.504 482 V N 1.960 121.870 119.914 -0.006 0.000 2.283 482 V HA -0.036 4.084 4.120 -0.000 0.000 0.243 482 V C 2.559 178.651 176.094 -0.004 0.000 1.039 482 V CA 1.621 63.918 62.300 -0.006 0.000 1.016 482 V CB -0.814 31.007 31.823 -0.004 0.000 0.650 482 V HN 0.418 nan 8.190 nan 0.000 0.449 483 L N -0.390 120.831 121.223 -0.002 0.000 1.978 483 L HA -0.236 4.104 4.340 -0.000 0.000 0.218 483 L C 2.521 179.387 176.870 -0.007 0.000 1.075 483 L CA 1.660 56.499 54.840 -0.001 0.000 0.767 483 L CB -0.724 41.334 42.059 -0.001 0.000 0.890 483 L HN 0.160 nan 8.230 nan 0.000 0.434 484 V N -0.282 119.622 119.914 -0.017 0.000 2.392 484 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 484 V C 2.523 178.606 176.094 -0.019 0.000 1.059 484 V CA 1.933 64.216 62.300 -0.029 0.000 1.051 484 V CB -0.584 31.213 31.823 -0.043 0.000 0.658 484 V HN 0.538 nan 8.190 nan 0.000 0.455 485 A N -1.473 121.340 122.820 -0.011 0.000 2.021 485 A HA 0.050 4.370 4.320 -0.000 0.000 0.216 485 A C 2.124 179.711 177.584 0.005 0.000 1.163 485 A CA 0.965 53.001 52.037 -0.002 0.000 0.676 485 A CB -0.211 18.788 19.000 -0.002 0.000 0.818 485 A HN 0.496 nan 8.150 nan 0.000 0.453 486 L N -0.569 120.657 121.223 0.004 0.000 2.202 486 L HA 0.160 4.500 4.340 -0.000 0.000 0.205 486 L C 0.676 177.556 176.870 0.017 0.000 1.083 486 L CA 0.306 55.152 54.840 0.009 0.000 0.790 486 L CB -0.086 41.977 42.059 0.006 0.000 0.942 486 L HN 0.305 nan 8.230 nan 0.000 0.452 487 I N -1.723 118.856 120.570 0.017 0.000 3.223 487 I HA 0.082 4.252 4.170 -0.000 0.000 0.317 487 I C 1.129 177.259 176.117 0.023 0.000 1.050 487 I CA -0.548 60.769 61.300 0.027 0.000 1.069 487 I CB 0.863 38.879 38.000 0.026 0.000 1.406 487 I HN -0.017 nan 8.210 nan 0.000 0.596 488 L N 0.693 121.938 121.223 0.037 0.000 3.478 488 L HA -0.419 3.921 4.340 -0.000 0.000 0.054 488 L C 1.759 178.649 176.870 0.033 0.000 4.404 488 L CA 2.967 57.820 54.840 0.022 0.000 0.544 488 L CB -2.124 39.900 42.059 -0.058 0.000 3.531 488 L HN 0.848 nan 8.230 nan 0.000 0.754 489 T N 0.677 115.238 114.554 0.012 0.000 2.665 489 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 489 T C -0.536 174.190 174.700 0.044 0.000 1.035 489 T CA 2.029 64.143 62.100 0.023 0.000 1.151 489 T CB -1.359 67.516 68.868 0.011 0.000 0.862 489 T HN 0.534 nan 8.240 nan 0.000 0.438 490 P HA -0.237 nan 4.420 nan 0.000 0.216 490 P C 1.676 179.011 177.300 0.059 0.000 1.167 490 P CA 1.939 65.067 63.100 0.046 0.000 0.933 490 P CB -0.416 31.308 31.700 0.039 0.000 0.793 491 A N -0.886 121.979 122.820 0.074 0.000 1.842 491 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 491 A C 2.360 180.021 177.584 0.128 0.000 1.206 491 A CA 2.190 54.289 52.037 0.103 0.000 0.630 491 A CB -1.750 17.340 19.000 0.151 0.000 0.839 491 A HN 0.182 nan 8.150 nan 0.000 0.447 492 L N -0.738 120.592 121.223 0.178 0.000 2.089 492 L HA -0.277 4.063 4.340 -0.000 0.000 0.213 492 L C 2.673 179.619 176.870 0.128 0.000 1.079 492 L CA 2.040 57.004 54.840 0.205 0.000 0.758 492 L CB -0.361 41.831 42.059 0.221 0.000 0.891 492 L HN 0.587 nan 8.230 nan 0.000 0.433 493 C N -1.382 117.974 119.300 0.093 0.000 2.432 493 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 493 C C 2.999 178.025 174.990 0.061 0.000 1.249 493 C CA 0.721 59.781 59.018 0.071 0.000 1.725 493 C CB -1.159 26.615 27.740 0.058 0.000 2.028 493 C HN 0.724 nan 8.230 nan 0.000 0.477 494 A N -0.183 122.670 122.820 0.055 0.000 1.845 494 A HA -0.178 4.141 4.320 -0.000 0.000 0.215 494 A C 2.172 179.777 177.584 0.035 0.000 1.195 494 A CA 2.609 54.669 52.037 0.039 0.000 0.616 494 A CB -1.463 17.555 19.000 0.030 0.000 0.832 494 A HN 0.547 nan 8.150 nan 0.000 0.443 495 T N -1.223 113.357 114.554 0.043 0.000 2.653 495 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 495 T C 0.804 175.523 174.700 0.031 0.000 1.037 495 T CA 1.880 63.999 62.100 0.031 0.000 1.159 495 T CB -0.221 68.681 68.868 0.056 0.000 0.859 495 T HN 0.440 nan 8.240 nan 0.000 0.449 496 M N -0.010 119.624 119.600 0.056 0.000 2.310 496 M HA 0.355 4.835 4.480 -0.000 0.000 0.242 496 M C -1.766 174.577 176.300 0.073 0.000 1.000 496 M CA -0.383 54.953 55.300 0.060 0.000 0.970 496 M CB 1.694 34.336 32.600 0.070 0.000 2.191 496 M HN 0.090 nan 8.290 nan 0.000 0.470 497 L N 3.659 124.919 121.223 0.062 0.000 3.878 497 L HA 0.554 4.894 4.340 -0.000 0.000 0.207 497 L C 0.100 177.009 176.870 0.065 0.000 1.209 497 L CA 0.814 55.694 54.840 0.067 0.000 1.453 497 L CB -0.386 41.707 42.059 0.056 0.000 1.818 497 L HN 0.715 nan 8.230 nan 0.000 0.806 514 G N -0.456 108.618 108.800 0.457 0.000 2.598 514 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.215 514 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.215 514 G C 0.549 175.745 174.900 0.494 0.000 1.131 514 G CA 0.340 45.688 45.100 0.414 0.000 0.785 514 G HN 0.541 nan 8.290 nan 0.000 0.539 515 W N 0.404 121.825 121.300 0.201 0.000 2.402 515 W HA 0.199 4.859 4.660 -0.000 0.000 0.286 515 W C 1.880 178.322 176.519 -0.130 0.000 1.221 515 W CA -0.101 57.232 57.345 -0.019 0.000 1.257 515 W CB -1.125 28.241 29.460 -0.156 0.000 1.120 515 W HN 0.198 nan 8.180 nan 0.000 0.551 516 F N 0.823 120.940 119.950 0.279 0.000 2.270 516 F HA -0.085 4.441 4.527 -0.000 0.000 0.295 516 F C 2.111 178.052 175.800 0.235 0.000 1.087 516 F CA 0.994 59.103 58.000 0.182 0.000 1.365 516 F CB -1.012 38.117 39.000 0.215 0.000 1.056 516 F HN -0.216 nan 8.300 nan 0.000 0.506 517 N N 0.661 119.605 118.700 0.407 0.000 2.104 517 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 517 N C 1.855 177.500 175.510 0.224 0.000 1.024 517 N CA 1.135 54.358 53.050 0.289 0.000 0.853 517 N CB -0.506 38.108 38.487 0.213 0.000 1.008 517 N HN 0.225 nan 8.380 nan 0.000 0.424 518 R N 0.285 120.892 120.500 0.177 0.000 2.097 518 R HA -0.067 4.273 4.340 -0.000 0.000 0.236 518 R C 2.269 178.600 176.300 0.053 0.000 1.135 518 R CA 1.352 57.514 56.100 0.104 0.000 0.934 518 R CB -0.354 29.978 30.300 0.053 0.000 0.846 518 R HN 0.170 nan 8.270 nan 0.000 0.431 519 M N -0.267 119.311 119.600 -0.037 0.000 2.106 519 M HA -0.195 4.285 4.480 -0.000 0.000 0.259 519 M C 1.895 178.096 176.300 -0.166 0.000 1.068 519 M CA 1.811 56.993 55.300 -0.198 0.000 1.100 519 M CB -0.422 31.915 32.600 -0.437 0.000 1.351 519 M HN 0.139 nan 8.290 nan 0.000 0.404 520 F N 0.013 119.953 119.950 -0.018 0.000 2.325 520 F HA -0.151 4.375 4.527 -0.000 0.000 0.299 520 F C 2.428 178.179 175.800 -0.081 0.000 1.090 520 F CA 1.062 59.044 58.000 -0.031 0.000 1.392 520 F CB -0.206 38.788 39.000 -0.011 0.000 1.053 520 F HN 0.318 nan 8.300 nan 0.000 0.521 521 E N 0.853 121.122 120.200 0.115 0.000 1.999 521 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 521 E C 2.063 178.729 176.600 0.109 0.000 0.995 521 E CA 1.337 57.749 56.400 0.020 0.000 0.825 521 E CB 0.052 29.851 29.700 0.166 0.000 0.777 521 E HN 0.113 nan 8.360 nan 0.000 0.459 522 K N 0.622 121.156 120.400 0.222 0.000 2.049 522 K HA -0.251 4.069 4.320 -0.000 0.000 0.219 522 K C 2.336 179.065 176.600 0.215 0.000 1.056 522 K CA 1.990 58.415 56.287 0.231 0.000 0.946 522 K CB -0.905 31.638 32.500 0.071 0.000 0.723 522 K HN 0.048 nan 8.250 nan 0.000 0.453 523 S N -0.459 115.298 115.700 0.096 0.000 2.359 523 S HA -0.198 4.271 4.470 -0.000 0.000 0.223 523 S C 1.881 176.584 174.600 0.171 0.000 1.039 523 S CA 2.152 60.413 58.200 0.102 0.000 1.042 523 S CB -0.518 62.661 63.200 -0.035 0.000 0.915 523 S HN 0.461 nan 8.310 nan 0.000 0.439 524 T N 0.552 115.154 114.554 0.080 0.000 3.014 524 T HA 0.137 4.486 4.350 -0.000 0.000 0.263 524 T C 0.981 175.717 174.700 0.060 0.000 1.078 524 T CA 0.754 62.874 62.100 0.033 0.000 1.135 524 T CB -0.233 68.610 68.868 -0.042 0.000 0.895 524 T HN 0.589 nan 8.240 nan 0.000 0.480 525 H N -0.615 118.523 119.070 0.115 0.000 2.849 525 H HA 0.192 4.748 4.556 -0.000 0.000 0.178 525 H C 1.453 176.838 175.328 0.094 0.000 1.509 525 H CA -0.217 55.862 56.048 0.051 0.000 1.586 525 H CB 0.285 29.978 29.762 -0.115 0.000 1.446 525 H HN 0.121 nan 8.280 nan 0.000 0.793 526 H N -2.778 116.376 119.070 0.140 0.000 4.679 526 H HA -0.250 4.306 4.556 -0.000 0.000 0.078 526 H C 1.184 176.612 175.328 0.167 0.000 0.617 526 H CA 1.711 57.861 56.048 0.170 0.000 0.950 526 H CB -1.389 28.516 29.762 0.238 0.000 0.414 526 H HN 0.564 nan 8.280 nan 0.000 0.802 527 Y N 1.105 121.508 120.300 0.172 0.000 2.259 527 Y HA 0.172 4.722 4.550 -0.000 0.000 0.285 527 Y C 2.505 178.334 175.900 -0.118 0.000 1.130 527 Y CA 2.287 60.394 58.100 0.012 0.000 1.144 527 Y CB -0.455 38.030 38.460 0.042 0.000 1.093 527 Y HN 0.214 nan 8.280 nan 0.000 0.507 528 T N 0.950 115.322 114.554 -0.304 0.000 2.881 528 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 528 T C 0.990 175.494 174.700 -0.325 0.000 1.068 528 T CA 1.733 63.568 62.100 -0.442 0.000 1.131 528 T CB -0.278 68.517 68.868 -0.121 0.000 0.871 528 T HN 0.382 nan 8.240 nan 0.000 0.479 529 D N 1.224 121.524 120.400 -0.167 0.000 2.183 529 D HA -0.004 4.636 4.640 -0.000 0.000 0.205 529 D C 2.174 178.370 176.300 -0.174 0.000 0.962 529 D CA 0.899 54.821 54.000 -0.130 0.000 0.849 529 D CB -0.384 40.391 40.800 -0.042 0.000 0.978 529 D HN 0.490 nan 8.370 nan 0.000 0.488 530 S N -0.263 115.325 115.700 -0.185 0.000 2.754 530 S HA 0.080 4.550 4.470 -0.000 0.000 0.223 530 S C 1.449 175.781 174.600 -0.447 0.000 0.951 530 S CA -0.104 57.964 58.200 -0.219 0.000 0.954 530 S CB 0.073 63.212 63.200 -0.101 0.000 0.780 530 S HN -0.009 nan 8.310 nan 0.000 0.509 531 V N 0.711 120.287 119.914 -0.563 0.000 3.151 531 V HA 0.266 4.386 4.120 -0.000 0.000 0.241 531 V C 2.630 178.404 176.094 -0.532 0.000 1.173 531 V CA 1.037 62.896 62.300 -0.735 0.000 1.154 531 V CB -0.755 30.430 31.823 -1.063 0.000 0.898 531 V HN 0.573 nan 8.190 nan 0.000 0.473 532 G N 0.540 109.102 108.800 -0.396 0.000 2.462 532 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 532 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 532 G C 1.555 176.316 174.900 -0.233 0.000 1.121 532 G CA 1.099 46.026 45.100 -0.289 0.000 0.758 532 G HN 0.571 nan 8.290 nan 0.000 0.559 533 G N 1.482 110.156 108.800 -0.211 0.000 2.402 533 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.216 533 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.216 533 G C 1.800 176.649 174.900 -0.085 0.000 1.162 533 G CA 1.083 46.111 45.100 -0.120 0.000 0.777 533 G HN 0.587 nan 8.290 nan 0.000 0.539 534 I N -0.855 119.604 120.570 -0.186 0.000 2.133 534 I HA -0.016 4.153 4.170 -0.000 0.000 0.238 534 I C 2.559 178.523 176.117 -0.255 0.000 1.074 534 I CA 0.959 62.175 61.300 -0.140 0.000 1.342 534 I CB -0.680 37.142 38.000 -0.297 0.000 1.053 534 I HN 0.003 nan 8.210 nan 0.000 0.404 535 L N 0.341 121.250 121.223 -0.523 0.000 2.189 535 L HA -0.197 4.143 4.340 -0.000 0.000 0.214 535 L C 2.890 179.593 176.870 -0.279 0.000 1.097 535 L CA 1.487 55.999 54.840 -0.547 0.000 0.764 535 L CB -0.619 41.150 42.059 -0.483 0.000 0.900 535 L HN 0.217 nan 8.230 nan 0.000 0.436 536 R N -0.190 120.210 120.500 -0.167 0.000 2.070 536 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 536 R C 1.460 177.756 176.300 -0.006 0.000 1.138 536 R CA 1.304 57.356 56.100 -0.080 0.000 0.936 536 R CB -0.282 29.986 30.300 -0.053 0.000 0.839 536 R HN 0.467 nan 8.270 nan 0.000 0.429 537 S N -1.538 114.213 115.700 0.084 0.000 2.626 537 S HA 0.189 4.659 4.470 -0.000 0.000 0.257 537 S C 0.607 175.369 174.600 0.269 0.000 1.288 537 S CA -0.158 58.155 58.200 0.189 0.000 0.980 537 S CB 1.857 65.232 63.200 0.292 0.000 0.975 537 S HN 0.205 nan 8.310 nan 0.000 0.577 538 T N -1.066 113.695 114.554 0.344 0.000 3.878 538 T HA 0.221 4.571 4.350 -0.000 0.000 0.313 538 T C 1.635 176.539 174.700 0.341 0.000 0.917 538 T CA 0.106 62.466 62.100 0.434 0.000 1.190 538 T CB -1.204 67.797 68.868 0.223 0.000 1.068 538 T HN 0.705 nan 8.240 nan 0.000 0.494 539 G N 1.133 110.049 108.800 0.193 0.000 2.471 539 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 539 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 539 G C 1.400 176.350 174.900 0.083 0.000 1.125 539 G CA 0.967 46.140 45.100 0.122 0.000 0.775 539 G HN 0.386 nan 8.290 nan 0.000 0.548 540 R N -1.033 119.501 120.500 0.055 0.000 2.093 540 R HA 0.056 4.396 4.340 -0.000 0.000 0.224 540 R C 1.908 178.139 176.300 -0.114 0.000 1.101 540 R CA 0.655 56.712 56.100 -0.070 0.000 0.979 540 R CB -0.216 29.975 30.300 -0.181 0.000 0.877 540 R HN 0.476 nan 8.270 nan 0.000 0.441 541 Y N -0.102 120.227 120.300 0.048 0.000 2.561 541 Y HA -0.073 4.476 4.550 -0.000 0.000 0.291 541 Y C 1.877 177.704 175.900 -0.122 0.000 1.141 541 Y CA 0.340 58.379 58.100 -0.101 0.000 1.303 541 Y CB 0.239 38.450 38.460 -0.416 0.000 1.015 541 Y HN 0.136 nan 8.280 nan 0.000 0.547 542 L N -1.322 119.969 121.223 0.113 0.000 2.127 542 L HA -0.059 4.280 4.340 -0.000 0.000 0.203 542 L C 1.943 178.901 176.870 0.147 0.000 1.080 542 L CA 0.933 55.846 54.840 0.122 0.000 0.768 542 L CB -0.382 41.745 42.059 0.113 0.000 0.924 542 L HN -0.073 nan 8.230 nan 0.000 0.444 543 V N 0.057 120.023 119.914 0.087 0.000 2.720 543 V HA -0.241 3.878 4.120 -0.000 0.000 0.256 543 V C 2.355 178.472 176.094 0.039 0.000 1.082 543 V CA 1.701 64.034 62.300 0.054 0.000 1.101 543 V CB -0.230 31.604 31.823 0.019 0.000 0.693 543 V HN 0.467 nan 8.190 nan 0.000 0.479 544 L N -0.911 120.340 121.223 0.047 0.000 2.095 544 L HA -0.093 4.247 4.340 -0.000 0.000 0.204 544 L C 2.286 179.189 176.870 0.054 0.000 1.080 544 L CA 1.749 56.610 54.840 0.035 0.000 0.759 544 L CB -0.652 41.440 42.059 0.055 0.000 0.914 544 L HN 0.472 nan 8.230 nan 0.000 0.439 545 Y N -0.100 120.193 120.300 -0.012 0.000 2.193 545 Y HA -0.269 4.280 4.550 -0.000 0.000 0.285 545 Y C 1.831 177.724 175.900 -0.013 0.000 1.166 545 Y CA 2.174 60.266 58.100 -0.013 0.000 1.181 545 Y CB -0.208 38.246 38.460 -0.010 0.000 0.976 545 Y HN 0.220 nan 8.280 nan 0.000 0.520 546 L N -0.633 120.563 121.223 -0.044 0.000 2.307 546 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 546 L C 2.356 179.151 176.870 -0.125 0.000 1.099 546 L CA 0.541 55.302 54.840 -0.131 0.000 0.816 546 L CB -0.398 41.681 42.059 0.035 0.000 0.952 546 L HN 0.194 nan 8.230 nan 0.000 0.455 547 I N -0.017 120.507 120.570 -0.078 0.000 2.614 547 I HA -0.249 3.921 4.170 -0.000 0.000 0.258 547 I C 2.277 178.336 176.117 -0.097 0.000 1.189 547 I CA 1.301 62.557 61.300 -0.072 0.000 1.462 547 I CB 0.217 38.187 38.000 -0.049 0.000 1.092 547 I HN 0.240 nan 8.210 nan 0.000 0.442 548 I N -0.502 119.985 120.570 -0.140 0.000 2.286 548 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 548 I C 2.291 178.306 176.117 -0.170 0.000 1.104 548 I CA 0.897 62.107 61.300 -0.150 0.000 1.397 548 I CB -0.009 37.887 38.000 -0.173 0.000 1.072 548 I HN -0.047 nan 8.210 nan 0.000 0.417 549 V N 0.079 119.842 119.914 -0.252 0.000 2.515 549 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 549 V C 2.369 178.393 176.094 -0.117 0.000 1.058 549 V CA 1.200 63.370 62.300 -0.218 0.000 1.064 549 V CB -0.187 31.464 31.823 -0.287 0.000 0.675 549 V HN 0.224 nan 8.190 nan 0.000 0.461 550 V N 1.001 120.859 119.914 -0.093 0.000 2.252 550 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 550 V C 2.625 178.718 176.094 -0.003 0.000 1.056 550 V CA 2.480 64.751 62.300 -0.047 0.000 1.022 550 V CB -1.400 30.392 31.823 -0.053 0.000 0.641 550 V HN 0.607 nan 8.190 nan 0.000 0.445 551 G N -1.480 107.317 108.800 -0.005 0.000 2.402 551 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 551 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 551 G C 1.612 176.562 174.900 0.082 0.000 1.162 551 G CA 0.933 46.067 45.100 0.056 0.000 0.777 551 G HN 0.331 nan 8.290 nan 0.000 0.539 552 M N 0.916 120.523 119.600 0.013 0.000 2.143 552 M HA -0.167 4.313 4.480 -0.000 0.000 0.258 552 M C 2.736 179.051 176.300 0.025 0.000 1.071 552 M CA 1.799 57.100 55.300 0.002 0.000 1.088 552 M CB -0.370 32.183 32.600 -0.079 0.000 1.360 552 M HN 0.345 nan 8.290 nan 0.000 0.404 553 A N -0.929 121.902 122.820 0.019 0.000 1.832 553 A HA -0.240 4.080 4.320 -0.000 0.000 0.214 553 A C 1.891 179.580 177.584 0.174 0.000 1.204 553 A CA 1.439 53.503 52.037 0.046 0.000 0.606 553 A CB -1.490 17.525 19.000 0.026 0.000 0.849 553 A HN 0.595 nan 8.150 nan 0.000 0.445 554 Y N 0.516 120.850 120.300 0.056 0.000 2.298 554 Y HA -0.127 4.423 4.550 -0.000 0.000 0.287 554 Y C 1.648 177.603 175.900 0.092 0.000 1.164 554 Y CA 1.451 59.590 58.100 0.066 0.000 1.229 554 Y CB -0.113 38.367 38.460 0.033 0.000 0.977 554 Y HN 0.196 nan 8.280 nan 0.000 0.538 555 L N -0.602 120.702 121.223 0.134 0.000 2.645 555 L HA -0.061 4.278 4.340 -0.000 0.000 0.235 555 L C 1.078 178.022 176.870 0.123 0.000 1.150 555 L CA 0.752 55.641 54.840 0.083 0.000 0.911 555 L CB -0.563 41.578 42.059 0.137 0.000 1.077 555 L HN 0.394 nan 8.230 nan 0.000 0.438 556 F N -1.537 118.384 119.950 -0.049 0.000 2.455 556 F HA 0.021 4.548 4.527 -0.000 0.000 0.278 556 F C 1.833 177.614 175.800 -0.030 0.000 0.887 556 F CA 0.277 58.275 58.000 -0.002 0.000 1.104 556 F CB 0.177 39.187 39.000 0.018 0.000 0.949 556 F HN -0.224 nan 8.300 nan 0.000 0.750 557 V N 0.981 121.014 119.914 0.199 0.000 2.343 557 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 557 V C 2.302 178.335 176.094 -0.102 0.000 1.051 557 V CA 2.026 64.362 62.300 0.061 0.000 1.036 557 V CB -0.911 30.972 31.823 0.100 0.000 0.654 557 V HN 0.178 nan 8.190 nan 0.000 0.451 558 R N -0.064 120.314 120.500 -0.204 0.000 2.119 558 R HA 0.152 4.492 4.340 -0.000 0.000 0.222 558 R C 0.910 177.094 176.300 -0.194 0.000 1.088 558 R CA 0.223 56.169 56.100 -0.257 0.000 0.984 558 R CB -0.918 29.078 30.300 -0.507 0.000 0.884 558 R HN 0.528 nan 8.270 nan 0.000 0.447 559 L N 3.502 124.611 121.223 -0.190 0.000 2.597 559 L HA 0.161 4.501 4.340 -0.000 0.000 0.271 559 L C -2.148 174.615 176.870 -0.178 0.000 1.157 559 L CA -1.273 53.462 54.840 -0.175 0.000 0.928 559 L CB 0.281 42.234 42.059 -0.177 0.000 1.216 559 L HN 0.040 nan 8.230 nan 0.000 0.481 560 P HA 0.116 nan 4.420 nan 0.000 0.276 560 P C -1.188 176.062 177.300 -0.083 0.000 1.252 560 P CA -0.580 62.461 63.100 -0.098 0.000 0.802 560 P CB 1.233 32.892 31.700 -0.068 0.000 1.035 561 S N 0.302 115.974 115.700 -0.046 0.000 2.433 561 S HA 0.487 4.956 4.470 -0.000 0.000 0.310 561 S C -0.118 174.507 174.600 0.041 0.000 1.097 561 S CA -0.303 57.896 58.200 -0.003 0.000 1.103 561 S CB -0.127 63.076 63.200 0.005 0.000 0.992 561 S HN 0.397 nan 8.310 nan 0.000 0.469 562 S N 2.895 118.638 115.700 0.072 0.000 2.768 562 S HA 0.634 5.104 4.470 -0.000 0.000 0.300 562 S C -0.157 174.563 174.600 0.201 0.000 1.122 562 S CA -0.539 57.726 58.200 0.109 0.000 0.995 562 S CB 0.989 64.235 63.200 0.077 0.000 1.195 562 S HN 0.782 nan 8.310 nan 0.000 0.547 563 F N 0.073 120.029 119.950 0.010 0.000 2.537 563 F HA 0.622 5.149 4.527 -0.000 0.000 0.275 563 F C -0.646 175.125 175.800 -0.049 0.000 0.947 563 F CA 0.073 58.059 58.000 -0.024 0.000 1.238 563 F CB 0.064 39.041 39.000 -0.039 0.000 1.071 563 F HN 0.355 nan 8.300 nan 0.000 0.749 564 L N 1.833 122.895 121.223 -0.268 0.000 2.505 564 L HA 0.478 4.818 4.340 -0.000 0.000 0.259 564 L C -2.642 174.176 176.870 -0.086 0.000 0.952 564 L CA -1.894 52.736 54.840 -0.350 0.000 0.840 564 L CB 1.625 43.240 42.059 -0.740 0.000 1.358 564 L HN -0.059 nan 8.230 nan 0.000 0.409 565 P HA 0.300 nan 4.420 nan 0.000 0.277 565 P C -1.307 176.026 177.300 0.054 0.000 1.240 565 P CA -0.345 62.797 63.100 0.070 0.000 0.798 565 P CB 0.685 32.461 31.700 0.127 0.000 0.979 566 D N 1.134 121.562 120.400 0.046 0.000 2.411 566 D HA 0.176 4.816 4.640 -0.000 0.000 0.225 566 D C 0.112 176.451 176.300 0.065 0.000 1.156 566 D CA -0.203 53.824 54.000 0.045 0.000 0.874 566 D CB 0.558 41.379 40.800 0.035 0.000 1.034 566 D HN 0.272 nan 8.370 nan 0.000 0.502 567 E N 1.052 121.305 120.200 0.090 0.000 2.280 567 E HA 0.130 4.480 4.350 -0.000 0.000 0.264 567 E C -0.337 176.336 176.600 0.121 0.000 1.064 567 E CA -0.849 55.630 56.400 0.132 0.000 0.900 567 E CB 1.100 30.931 29.700 0.219 0.000 1.123 567 E HN 0.334 nan 8.360 nan 0.000 0.418 568 D N 1.269 121.783 120.400 0.191 0.000 2.358 568 D HA -0.040 4.600 4.640 -0.000 0.000 0.258 568 D C -0.149 176.368 176.300 0.363 0.000 1.223 568 D CA 0.648 54.792 54.000 0.241 0.000 0.886 568 D CB 0.825 41.834 40.800 0.348 0.000 1.120 568 D HN 0.363 nan 8.370 nan 0.000 0.482 569 Q N 1.732 121.572 119.800 0.066 0.000 2.217 569 Q HA 0.229 4.569 4.340 -0.000 0.000 0.217 569 Q C 1.185 177.092 176.000 -0.155 0.000 0.844 569 Q CA 0.216 55.898 55.803 -0.202 0.000 0.957 569 Q CB 0.705 29.141 28.738 -0.503 0.000 1.127 569 Q HN 0.797 nan 8.270 nan 0.000 0.503 570 G N 0.301 108.890 108.800 -0.352 0.000 2.155 570 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 570 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 570 G C -0.092 174.617 174.900 -0.318 0.000 0.983 570 G CA 0.424 45.161 45.100 -0.604 0.000 0.676 570 G HN 0.238 nan 8.290 nan 0.000 0.528 571 V N 0.544 120.320 119.914 -0.231 0.000 2.735 571 V HA 0.553 4.673 4.120 -0.000 0.000 0.276 571 V C -0.199 175.798 176.094 -0.162 0.000 1.083 571 V CA -0.432 61.690 62.300 -0.298 0.000 0.923 571 V CB 0.839 32.310 31.823 -0.586 0.000 1.053 571 V HN 0.894 nan 8.190 nan 0.000 0.471 572 F N 4.605 124.446 119.950 -0.181 0.000 2.746 572 F HA 0.997 5.524 4.527 -0.000 0.000 0.378 572 F C -0.313 175.513 175.800 0.042 0.000 1.165 572 F CA -1.059 56.896 58.000 -0.075 0.000 1.089 572 F CB 1.967 40.914 39.000 -0.089 0.000 1.439 572 F HN 0.482 nan 8.300 nan 0.000 0.516 573 M N 0.446 119.945 119.600 -0.168 0.000 3.008 573 M HA 0.649 5.129 4.480 -0.000 0.000 0.271 573 M C -1.772 174.259 176.300 -0.449 0.000 1.265 573 M CA -0.556 54.597 55.300 -0.246 0.000 0.817 573 M CB 2.017 34.788 32.600 0.285 0.000 1.638 573 M HN 0.875 nan 8.290 nan 0.000 0.479 574 T N 1.549 115.945 114.554 -0.263 0.000 3.193 574 T HA 0.621 4.971 4.350 -0.000 0.000 0.332 574 T C -1.184 173.511 174.700 -0.009 0.000 1.208 574 T CA -0.776 61.224 62.100 -0.167 0.000 1.080 574 T CB 1.563 70.502 68.868 0.117 0.000 1.180 574 T HN 0.950 nan 8.240 nan 0.000 0.469 575 M N 3.776 123.487 119.600 0.185 0.000 2.644 575 M HA 0.901 5.381 4.480 -0.000 0.000 0.316 575 M C -1.550 174.768 176.300 0.030 0.000 1.200 575 M CA -0.776 54.632 55.300 0.179 0.000 0.944 575 M CB 2.047 34.889 32.600 0.403 0.000 1.691 575 M HN 0.357 nan 8.290 nan 0.000 0.471 576 V N 1.348 121.239 119.914 -0.038 0.000 2.960 576 V HA 0.776 4.896 4.120 -0.000 0.000 0.315 576 V C -1.064 174.990 176.094 -0.067 0.000 1.087 576 V CA -0.526 61.702 62.300 -0.120 0.000 0.982 576 V CB 1.667 33.394 31.823 -0.160 0.000 1.039 576 V HN 0.991 nan 8.190 nan 0.000 0.437 577 Q N 2.089 121.829 119.800 -0.099 0.000 2.430 577 Q HA 0.533 4.872 4.340 -0.000 0.000 0.253 577 Q C -2.601 173.358 176.000 -0.068 0.000 0.945 577 Q CA -0.320 55.452 55.803 -0.052 0.000 0.964 577 Q CB 1.607 30.337 28.738 -0.015 0.000 1.460 577 Q HN 0.611 nan 8.270 nan 0.000 0.428 578 L N 4.702 125.901 121.223 -0.039 0.000 2.322 578 L HA 0.737 5.077 4.340 -0.000 0.000 0.269 578 L C -1.970 174.890 176.870 -0.016 0.000 1.012 578 L CA -1.842 52.974 54.840 -0.039 0.000 0.815 578 L CB 1.383 43.420 42.059 -0.035 0.000 1.295 578 L HN 0.741 nan 8.230 nan 0.000 0.438 579 P HA 0.097 nan 4.420 nan 0.000 0.277 579 P C -0.778 176.530 177.300 0.012 0.000 1.276 579 P CA -0.552 62.547 63.100 -0.001 0.000 0.788 579 P CB 0.348 32.043 31.700 -0.008 0.000 1.114 580 A N 0.125 122.960 122.820 0.025 0.000 2.550 580 A HA 0.256 4.576 4.320 -0.000 0.000 0.273 580 A C 1.348 178.951 177.584 0.031 0.000 1.017 580 A CA 0.879 52.941 52.037 0.042 0.000 0.910 580 A CB -2.149 16.885 19.000 0.055 0.000 0.891 580 A HN 0.978 nan 8.150 nan 0.000 0.507 581 G N 1.332 110.157 108.800 0.042 0.000 2.333 581 G HA2 0.187 4.147 3.960 -0.000 0.000 0.296 581 G HA3 0.187 4.147 3.960 -0.000 0.000 0.296 581 G C 0.437 175.352 174.900 0.024 0.000 1.059 581 G CA 0.490 45.616 45.100 0.043 0.000 1.050 581 G HN 2.243 nan 8.290 nan 0.000 0.508 582 A N -0.297 122.532 122.820 0.016 0.000 2.259 582 A HA 0.968 5.288 4.320 -0.000 0.000 0.278 582 A C 0.986 178.574 177.584 0.006 0.000 1.107 582 A CA 0.755 52.794 52.037 0.002 0.000 0.828 582 A CB 0.696 19.691 19.000 -0.010 0.000 1.111 582 A HN 1.828 nan 8.150 nan 0.000 0.498 583 T N -2.447 112.104 114.554 -0.004 0.000 2.919 583 T HA 0.380 4.730 4.350 -0.000 0.000 0.282 583 T C 0.871 175.565 174.700 -0.010 0.000 1.020 583 T CA 0.049 62.147 62.100 -0.003 0.000 0.994 583 T CB 1.092 69.954 68.868 -0.010 0.000 1.180 583 T HN 0.634 nan 8.240 nan 0.000 0.566 584 Q N -0.438 119.357 119.800 -0.009 0.000 2.167 584 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 584 Q C 2.004 177.988 176.000 -0.027 0.000 0.970 584 Q CA 1.202 56.997 55.803 -0.013 0.000 0.855 584 Q CB -0.017 28.718 28.738 -0.005 0.000 0.911 584 Q HN 0.761 nan 8.270 nan 0.000 0.438 585 E N -0.038 120.143 120.200 -0.031 0.000 2.208 585 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 585 E C 1.939 178.513 176.600 -0.043 0.000 0.988 585 E CA 0.417 56.793 56.400 -0.039 0.000 0.828 585 E CB 0.260 29.936 29.700 -0.041 0.000 0.763 585 E HN 0.296 nan 8.360 nan 0.000 0.478 586 R N -0.301 120.175 120.500 -0.039 0.000 2.057 586 R HA -0.063 4.276 4.340 -0.000 0.000 0.229 586 R C 2.425 178.691 176.300 -0.056 0.000 1.136 586 R CA 1.547 57.620 56.100 -0.045 0.000 0.952 586 R CB -0.965 29.313 30.300 -0.037 0.000 0.848 586 R HN 0.098 nan 8.270 nan 0.000 0.430 587 T N 0.501 115.023 114.554 -0.053 0.000 2.962 587 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 587 T C 1.736 176.386 174.700 -0.083 0.000 1.088 587 T CA 1.224 63.283 62.100 -0.068 0.000 1.127 587 T CB 0.069 68.905 68.868 -0.053 0.000 0.883 587 T HN 0.076 nan 8.240 nan 0.000 0.493 588 Q N 1.359 121.116 119.800 -0.071 0.000 2.167 588 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 588 Q C 2.116 178.062 176.000 -0.091 0.000 0.970 588 Q CA 1.598 57.355 55.803 -0.077 0.000 0.855 588 Q CB -0.314 28.389 28.738 -0.059 0.000 0.911 588 Q HN 0.609 nan 8.270 nan 0.000 0.438 589 K N -0.897 119.451 120.400 -0.087 0.000 2.147 589 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 589 K C 1.582 178.104 176.600 -0.130 0.000 1.049 589 K CA 1.422 57.651 56.287 -0.098 0.000 0.936 589 K CB 0.054 32.506 32.500 -0.080 0.000 0.722 589 K HN 0.155 nan 8.250 nan 0.000 0.446 590 V N 1.469 121.302 119.914 -0.135 0.000 2.323 590 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 590 V C 2.219 178.182 176.094 -0.220 0.000 1.041 590 V CA 1.319 63.515 62.300 -0.173 0.000 1.025 590 V CB -0.312 31.407 31.823 -0.172 0.000 0.656 590 V HN 0.259 nan 8.190 nan 0.000 0.451 591 L N 0.452 121.558 121.223 -0.196 0.000 2.275 591 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 591 L C 2.219 178.978 176.870 -0.186 0.000 1.119 591 L CA 1.147 55.862 54.840 -0.208 0.000 0.790 591 L CB -0.653 41.303 42.059 -0.170 0.000 0.919 591 L HN 0.340 nan 8.230 nan 0.000 0.443 592 N N -0.155 118.442 118.700 -0.171 0.000 2.207 592 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 592 N C 1.740 177.047 175.510 -0.337 0.000 1.020 592 N CA 0.958 53.908 53.050 -0.167 0.000 0.858 592 N CB 0.003 38.407 38.487 -0.139 0.000 0.991 592 N HN 0.330 nan 8.380 nan 0.000 0.427 593 E N -0.060 119.931 120.200 -0.348 0.000 2.150 593 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 593 E C 1.646 178.156 176.600 -0.150 0.000 0.985 593 E CA 0.592 56.778 56.400 -0.356 0.000 0.814 593 E CB 0.156 29.741 29.700 -0.191 0.000 0.752 593 E HN 0.086 nan 8.360 nan 0.000 0.466 594 V N 0.805 120.599 119.914 -0.200 0.000 2.453 594 V HA -0.184 3.935 4.120 -0.000 0.000 0.247 594 V C 2.154 178.130 176.094 -0.196 0.000 1.048 594 V CA 1.843 63.990 62.300 -0.254 0.000 1.049 594 V CB -0.408 31.071 31.823 -0.573 0.000 0.672 594 V HN 0.296 nan 8.190 nan 0.000 0.457 595 T N -1.082 113.415 114.554 -0.096 0.000 2.929 595 T HA -0.161 4.189 4.350 -0.000 0.000 0.271 595 T C 1.711 176.539 174.700 0.213 0.000 1.085 595 T CA 1.356 63.474 62.100 0.030 0.000 1.125 595 T CB -0.265 68.635 68.868 0.054 0.000 0.874 595 T HN 0.553 nan 8.240 nan 0.000 0.494 596 H N -0.420 118.659 119.070 0.016 0.000 2.317 596 H HA 0.100 4.656 4.556 -0.000 0.000 0.304 596 H C 1.815 177.212 175.328 0.114 0.000 1.067 596 H CA 0.641 56.722 56.048 0.054 0.000 1.352 596 H CB -0.888 28.906 29.762 0.054 0.000 1.398 596 H HN 0.367 nan 8.280 nan 0.000 0.510 597 Y N 0.421 120.839 120.300 0.197 0.000 2.193 597 Y HA -0.344 4.206 4.550 -0.000 0.000 0.285 597 Y C 1.653 177.763 175.900 0.351 0.000 1.166 597 Y CA 1.593 59.813 58.100 0.201 0.000 1.181 597 Y CB -0.207 38.347 38.460 0.157 0.000 0.976 597 Y HN 0.174 nan 8.280 nan 0.000 0.520 598 Y N -1.360 119.105 120.300 0.275 0.000 2.420 598 Y HA -0.019 4.530 4.550 -0.000 0.000 0.292 598 Y C 2.047 177.978 175.900 0.051 0.000 1.119 598 Y CA 0.426 58.633 58.100 0.177 0.000 1.229 598 Y CB -0.675 37.905 38.460 0.201 0.000 1.026 598 Y HN 0.181 nan 8.280 nan 0.000 0.554 599 L N -1.577 119.753 121.223 0.178 0.000 2.194 599 L HA -0.053 4.286 4.340 -0.000 0.000 0.197 599 L C 2.478 179.342 176.870 -0.010 0.000 1.106 599 L CA 1.366 56.234 54.840 0.047 0.000 0.785 599 L CB -0.798 41.257 42.059 -0.007 0.000 0.960 599 L HN -0.028 nan 8.230 nan 0.000 0.465 600 T N -0.208 114.324 114.554 -0.036 0.000 2.812 600 T HA -0.108 4.241 4.350 -0.000 0.000 0.264 600 T C 1.435 176.088 174.700 -0.080 0.000 1.042 600 T CA 1.214 63.274 62.100 -0.066 0.000 1.140 600 T CB 0.067 68.882 68.868 -0.087 0.000 0.870 600 T HN 0.148 nan 8.240 nan 0.000 0.445 601 K N 0.621 120.948 120.400 -0.122 0.000 2.446 601 K HA 0.238 4.558 4.320 -0.000 0.000 0.203 601 K C 0.248 176.692 176.600 -0.261 0.000 1.027 601 K CA 0.118 56.261 56.287 -0.238 0.000 1.166 601 K CB 0.554 32.792 32.500 -0.438 0.000 0.869 601 K HN 0.245 nan 8.250 nan 0.000 0.504 602 E N 0.663 120.785 120.200 -0.130 0.000 3.653 602 E HA 0.089 4.439 4.350 -0.000 0.000 0.275 602 E C -0.146 176.436 176.600 -0.030 0.000 1.139 602 E CA 0.049 56.401 56.400 -0.080 0.000 1.227 602 E CB 0.253 29.928 29.700 -0.042 0.000 1.277 602 E HN -0.020 nan 8.360 nan 0.000 0.394 603 K N -0.362 120.015 120.400 -0.038 0.000 2.062 603 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 603 K C 1.232 177.819 176.600 -0.023 0.000 1.051 603 K CA 1.348 57.619 56.287 -0.026 0.000 0.941 603 K CB 0.047 32.528 32.500 -0.031 0.000 0.719 603 K HN 0.130 nan 8.250 nan 0.000 0.440 604 N N 0.783 119.467 118.700 -0.027 0.000 2.244 604 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 604 N C 0.964 176.459 175.510 -0.024 0.000 1.016 604 N CA 1.288 54.324 53.050 -0.023 0.000 0.866 604 N CB -0.008 38.465 38.487 -0.023 0.000 0.980 604 N HN 0.290 nan 8.380 nan 0.000 0.430 605 N N -1.093 117.590 118.700 -0.029 0.000 2.414 605 N HA 0.118 4.858 4.740 -0.000 0.000 0.177 605 N C -0.721 174.769 175.510 -0.034 0.000 1.062 605 N CA -0.022 53.007 53.050 -0.035 0.000 0.890 605 N CB 1.007 39.470 38.487 -0.041 0.000 1.070 605 N HN -0.111 nan 8.380 nan 0.000 0.454 606 V N 1.547 121.450 119.914 -0.018 0.000 2.394 606 V HA 0.117 4.237 4.120 -0.000 0.000 0.282 606 V C 0.826 176.916 176.094 -0.006 0.000 1.031 606 V CA -0.144 62.151 62.300 -0.008 0.000 0.881 606 V CB 1.649 33.484 31.823 0.020 0.000 0.982 606 V HN 0.095 nan 8.190 nan 0.000 0.451 607 E N 3.816 124.011 120.200 -0.007 0.000 2.140 607 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 607 E C 0.729 177.334 176.600 0.008 0.000 0.973 607 E CA 1.037 57.440 56.400 0.005 0.000 0.829 607 E CB 0.388 30.096 29.700 0.013 0.000 0.781 607 E HN 0.828 nan 8.360 nan 0.000 0.466 608 S N -1.582 114.129 115.700 0.019 0.000 2.565 608 S HA 0.651 5.121 4.470 -0.000 0.000 0.269 608 S C -0.886 173.738 174.600 0.041 0.000 1.153 608 S CA -0.604 57.589 58.200 -0.012 0.000 0.835 608 S CB 1.419 64.674 63.200 0.090 0.000 1.122 608 S HN -0.018 nan 8.310 nan 0.000 0.462 609 V N 0.670 120.575 119.914 -0.014 0.000 3.113 609 V HA 0.839 4.959 4.120 -0.000 0.000 0.316 609 V C -1.206 175.035 176.094 0.245 0.000 1.125 609 V CA -0.820 61.547 62.300 0.112 0.000 1.026 609 V CB 1.628 33.498 31.823 0.079 0.000 1.080 609 V HN 1.023 nan 8.190 nan 0.000 0.444 610 F N 1.383 121.392 119.950 0.099 0.000 3.282 610 F HA 0.724 5.251 4.527 -0.000 0.000 0.398 610 F C 0.103 175.858 175.800 -0.075 0.000 1.205 610 F CA -0.238 57.831 58.000 0.114 0.000 1.273 610 F CB 0.270 39.399 39.000 0.215 0.000 2.153 610 F HN 0.740 nan 8.300 nan 0.000 0.680 611 A N 2.466 125.111 122.820 -0.292 0.000 2.257 611 A HA 0.890 5.210 4.320 -0.000 0.000 0.289 611 A C -1.083 176.249 177.584 -0.421 0.000 1.095 611 A CA -0.480 51.368 52.037 -0.316 0.000 0.836 611 A CB 1.215 20.082 19.000 -0.223 0.000 1.111 611 A HN 0.518 nan 8.150 nan 0.000 0.497 612 V N 0.799 120.544 119.914 -0.281 0.000 2.777 612 V HA 0.272 4.392 4.120 -0.000 0.000 0.306 612 V C -0.491 175.562 176.094 -0.068 0.000 1.112 612 V CA -0.697 61.515 62.300 -0.147 0.000 0.917 612 V CB 2.012 33.840 31.823 0.009 0.000 1.018 612 V HN 0.989 nan 8.190 nan 0.000 0.426 613 N N 2.808 121.496 118.700 -0.021 0.000 2.527 613 N HA 0.537 5.276 4.740 -0.000 0.000 0.236 613 N C 0.466 176.002 175.510 0.043 0.000 0.999 613 N CA 0.637 53.680 53.050 -0.011 0.000 0.935 613 N CB 0.790 39.262 38.487 -0.025 0.000 1.132 613 N HN 1.204 nan 8.380 nan 0.000 0.511 614 G N 3.593 112.429 108.800 0.059 0.000 2.309 614 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.183 614 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.183 614 G C -0.595 174.420 174.900 0.192 0.000 1.063 614 G CA -0.410 44.744 45.100 0.090 0.000 0.768 614 G HN 0.608 nan 8.290 nan 0.000 0.490 615 F N 0.733 120.674 119.950 -0.015 0.000 3.361 615 F HA 0.517 5.044 4.527 -0.000 0.000 0.390 615 F C 0.422 176.214 175.800 -0.013 0.000 1.251 615 F CA -0.360 57.629 58.000 -0.018 0.000 1.260 615 F CB 0.441 39.430 39.000 -0.019 0.000 1.847 615 F HN 0.371 nan 8.300 nan 0.000 0.673 616 G N 1.892 110.704 108.800 0.021 0.000 2.547 616 G HA2 0.225 4.185 3.960 -0.000 0.000 0.291 616 G HA3 0.225 4.185 3.960 -0.000 0.000 0.291 616 G C -0.406 174.420 174.900 -0.123 0.000 1.211 616 G CA -0.432 44.627 45.100 -0.068 0.000 0.950 616 G HN 0.589 nan 8.290 nan 0.000 0.504 617 F N 0.688 120.621 119.950 -0.028 0.000 2.797 617 F HA 0.253 4.780 4.527 -0.000 0.000 0.302 617 F C 2.328 178.171 175.800 0.071 0.000 1.130 617 F CA 0.246 58.267 58.000 0.036 0.000 1.387 617 F CB 0.182 39.217 39.000 0.059 0.000 1.107 617 F HN 0.443 nan 8.300 nan 0.000 0.577 618 A N -0.226 122.738 122.820 0.240 0.000 1.825 618 A HA 0.347 4.667 4.320 -0.000 0.000 0.214 618 A C 1.952 179.646 177.584 0.183 0.000 1.206 618 A CA 1.853 53.998 52.037 0.179 0.000 0.609 618 A CB -1.076 18.005 19.000 0.135 0.000 0.851 618 A HN 0.408 nan 8.150 nan 0.000 0.445 619 G N -2.198 106.708 108.800 0.177 0.000 3.535 619 G HA2 0.520 4.480 3.960 -0.000 0.000 0.169 619 G HA3 0.520 4.480 3.960 -0.000 0.000 0.169 619 G C -0.296 174.733 174.900 0.215 0.000 1.241 619 G CA -0.140 45.069 45.100 0.180 0.000 1.334 619 G HN 0.418 nan 8.290 nan 0.000 0.717 620 R N -1.266 119.326 120.500 0.153 0.000 2.795 620 R HA 0.622 4.962 4.340 -0.000 0.000 0.268 620 R C -0.499 175.862 176.300 0.101 0.000 1.041 620 R CA 0.011 56.194 56.100 0.138 0.000 0.927 620 R CB 2.124 32.468 30.300 0.073 0.000 1.235 620 R HN 1.701 nan 8.270 nan 0.000 0.463 621 G N 0.085 108.935 108.800 0.084 0.000 2.423 621 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.684 621 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.684 621 G C -0.237 174.700 174.900 0.062 0.000 1.309 621 G CA -0.529 44.611 45.100 0.067 0.000 0.950 621 G HN 0.575 nan 8.290 nan 0.000 0.587 622 Q N -0.228 119.601 119.800 0.048 0.000 2.444 622 Q HA 0.070 4.410 4.340 -0.000 0.000 0.206 622 Q C 1.571 177.585 176.000 0.024 0.000 0.948 622 Q CA 0.817 56.641 55.803 0.035 0.000 0.946 622 Q CB 0.087 28.842 28.738 0.028 0.000 1.027 622 Q HN 0.416 nan 8.270 nan 0.000 0.513 623 N N 1.429 120.147 118.700 0.030 0.000 2.354 623 N HA -0.057 4.683 4.740 -0.000 0.000 0.179 623 N C 0.850 176.365 175.510 0.009 0.000 1.021 623 N CA 1.343 54.403 53.050 0.018 0.000 0.887 623 N CB 0.049 38.554 38.487 0.029 0.000 0.974 623 N HN 0.435 nan 8.380 nan 0.000 0.437 624 T N -2.783 111.787 114.554 0.026 0.000 2.884 624 T HA 0.808 5.158 4.350 -0.000 0.000 0.277 624 T C 0.513 175.211 174.700 -0.003 0.000 0.976 624 T CA -0.554 61.560 62.100 0.022 0.000 0.956 624 T CB 1.954 70.859 68.868 0.062 0.000 1.113 624 T HN 0.149 nan 8.240 nan 0.000 0.554 625 G N -0.913 107.870 108.800 -0.029 0.000 2.495 625 G HA2 0.563 4.523 3.960 -0.000 0.000 0.294 625 G HA3 0.563 4.523 3.960 -0.000 0.000 0.294 625 G C -2.148 172.676 174.900 -0.128 0.000 1.397 625 G CA -0.582 44.472 45.100 -0.076 0.000 0.790 625 G HN 1.091 nan 8.290 nan 0.000 0.486 626 I N -0.576 119.873 120.570 -0.201 0.000 2.744 626 I HA 0.638 4.808 4.170 -0.000 0.000 0.285 626 I C -0.852 175.046 176.117 -0.365 0.000 1.530 626 I CA -0.272 60.870 61.300 -0.264 0.000 1.064 626 I CB 1.723 39.500 38.000 -0.371 0.000 1.429 626 I HN 1.303 nan 8.210 nan 0.000 0.425 627 A N 7.408 130.072 122.820 -0.259 0.000 2.316 627 A HA 0.694 5.014 4.320 -0.000 0.000 0.324 627 A C -0.941 176.617 177.584 -0.044 0.000 1.375 627 A CA -0.338 51.587 52.037 -0.187 0.000 0.882 627 A CB -0.206 18.715 19.000 -0.131 0.000 1.152 627 A HN 0.435 nan 8.150 nan 0.000 0.512 628 F N 1.467 121.494 119.950 0.127 0.000 2.563 628 F HA 0.344 4.871 4.527 -0.000 0.000 0.363 628 F C 0.588 176.430 175.800 0.071 0.000 1.123 628 F CA -0.100 57.998 58.000 0.162 0.000 1.307 628 F CB 0.651 39.802 39.000 0.252 0.000 1.115 628 F HN 0.255 nan 8.300 nan 0.000 0.592 629 V N 1.571 121.540 119.914 0.091 0.000 2.680 629 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 629 V C -0.432 175.594 176.094 -0.112 0.000 1.052 629 V CA -0.876 61.327 62.300 -0.162 0.000 0.908 629 V CB 2.009 33.334 31.823 -0.830 0.000 1.001 629 V HN 0.740 nan 8.190 nan 0.000 0.431 630 S N 4.924 120.598 115.700 -0.042 0.000 2.664 630 S HA 0.602 5.072 4.470 -0.000 0.000 0.262 630 S C -0.606 173.962 174.600 -0.054 0.000 1.229 630 S CA -0.539 57.632 58.200 -0.048 0.000 1.151 630 S CB 0.040 63.264 63.200 0.039 0.000 1.054 630 S HN 0.534 nan 8.310 nan 0.000 0.483 631 L N 2.943 124.108 121.223 -0.096 0.000 2.474 631 L HA 0.390 4.730 4.340 -0.000 0.000 0.259 631 L C 1.237 178.029 176.870 -0.131 0.000 1.232 631 L CA -0.502 54.280 54.840 -0.098 0.000 0.821 631 L CB 0.312 42.299 42.059 -0.121 0.000 1.108 631 L HN 0.444 nan 8.230 nan 0.000 0.495 632 K N 0.662 120.995 120.400 -0.112 0.000 2.230 632 K HA 0.050 4.370 4.320 -0.000 0.000 0.253 632 K C -0.633 175.853 176.600 -0.189 0.000 1.008 632 K CA -0.356 55.870 56.287 -0.102 0.000 0.910 632 K CB 0.511 32.977 32.500 -0.057 0.000 0.994 632 K HN 0.624 nan 8.250 nan 0.000 0.495 633 D N -0.539 119.784 120.400 -0.128 0.000 2.364 633 D HA -0.112 4.528 4.640 -0.000 0.000 0.236 633 D C 0.796 177.040 176.300 -0.093 0.000 1.221 633 D CA 0.174 54.090 54.000 -0.139 0.000 0.891 633 D CB 0.128 40.953 40.800 0.042 0.000 1.190 633 D HN 0.444 nan 8.370 nan 0.000 0.449 634 W N 0.053 121.377 121.300 0.041 0.000 2.467 634 W HA 0.171 4.831 4.660 -0.000 0.000 0.275 634 W C 2.392 178.926 176.519 0.025 0.000 1.239 634 W CA 0.589 57.956 57.345 0.037 0.000 1.266 634 W CB -0.903 28.584 29.460 0.045 0.000 1.112 634 W HN 0.564 nan 8.180 nan 0.000 0.576 635 A N 0.934 123.905 122.820 0.251 0.000 1.902 635 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 635 A C 1.434 179.074 177.584 0.093 0.000 1.181 635 A CA 2.149 54.273 52.037 0.145 0.000 0.623 635 A CB -0.857 18.214 19.000 0.119 0.000 0.818 635 A HN 0.193 nan 8.150 nan 0.000 0.443 636 D N -0.982 119.462 120.400 0.072 0.000 2.347 636 D HA 0.049 4.689 4.640 -0.000 0.000 0.215 636 D C 0.699 177.016 176.300 0.029 0.000 0.976 636 D CA 0.457 54.481 54.000 0.040 0.000 0.884 636 D CB 0.039 40.853 40.800 0.023 0.000 0.915 636 D HN 0.287 nan 8.370 nan 0.000 0.526 637 R N 0.926 121.450 120.500 0.041 0.000 2.233 637 R HA 0.192 4.532 4.340 -0.000 0.000 0.334 637 R C -1.614 174.719 176.300 0.056 0.000 1.037 637 R CA -1.118 55.000 56.100 0.031 0.000 0.920 637 R CB 1.442 31.748 30.300 0.010 0.000 1.137 637 R HN 0.094 nan 8.270 nan 0.000 0.492 638 P HA 0.022 nan 4.420 nan 0.000 0.214 638 P C 0.660 177.982 177.300 0.036 0.000 1.163 638 P CA 0.626 63.750 63.100 0.040 0.000 0.881 638 P CB 0.303 32.018 31.700 0.026 0.000 0.775 639 G N -0.486 108.328 108.800 0.023 0.000 2.537 639 G HA2 0.089 4.048 3.960 -0.000 0.000 0.297 639 G HA3 0.089 4.048 3.960 -0.000 0.000 0.297 639 G C 0.731 175.642 174.900 0.018 0.000 1.310 639 G CA -0.272 44.838 45.100 0.017 0.000 1.027 639 G HN 0.070 nan 8.290 nan 0.000 0.505 640 E N -0.400 119.806 120.200 0.011 0.000 2.106 640 E HA -0.130 4.219 4.350 -0.000 0.000 0.192 640 E C 2.233 178.829 176.600 -0.006 0.000 0.984 640 E CA 0.995 57.399 56.400 0.006 0.000 0.806 640 E CB 0.094 29.794 29.700 0.001 0.000 0.750 640 E HN 0.543 nan 8.360 nan 0.000 0.458 641 E N 0.838 121.033 120.200 -0.009 0.000 2.070 641 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 641 E C 0.873 177.458 176.600 -0.025 0.000 1.004 641 E CA 0.933 57.324 56.400 -0.016 0.000 0.805 641 E CB -0.585 29.108 29.700 -0.013 0.000 0.744 641 E HN 0.166 nan 8.360 nan 0.000 0.451 642 N N 1.381 120.071 118.700 -0.018 0.000 2.597 642 N HA 0.042 4.782 4.740 -0.000 0.000 0.269 642 N C -0.216 175.278 175.510 -0.026 0.000 1.204 642 N CA 0.145 53.180 53.050 -0.025 0.000 0.947 642 N CB 0.377 38.856 38.487 -0.014 0.000 1.258 642 N HN 0.074 nan 8.380 nan 0.000 0.508 643 K N -0.206 120.172 120.400 -0.038 0.000 2.502 643 K HA 0.243 4.563 4.320 -0.000 0.000 0.257 643 K C 0.751 177.295 176.600 -0.093 0.000 0.938 643 K CA -0.467 55.800 56.287 -0.033 0.000 0.819 643 K CB 1.617 34.132 32.500 0.024 0.000 1.333 643 K HN -0.208 nan 8.250 nan 0.000 0.434 644 V N 2.305 122.146 119.914 -0.121 0.000 2.242 644 V HA -0.337 3.782 4.120 -0.000 0.000 0.257 644 V C 2.329 178.275 176.094 -0.247 0.000 1.073 644 V CA 2.485 64.635 62.300 -0.250 0.000 1.058 644 V CB -0.515 31.209 31.823 -0.165 0.000 0.664 644 V HN 0.835 nan 8.190 nan 0.000 0.451 645 E N -0.143 119.983 120.200 -0.125 0.000 2.065 645 E HA -0.289 4.060 4.350 -0.000 0.000 0.201 645 E C 2.299 178.838 176.600 -0.102 0.000 1.016 645 E CA 2.092 58.437 56.400 -0.092 0.000 0.818 645 E CB -0.432 29.243 29.700 -0.042 0.000 0.749 645 E HN 0.618 nan 8.360 nan 0.000 0.453 646 A N 0.366 123.133 122.820 -0.088 0.000 2.014 646 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 646 A C 2.335 179.865 177.584 -0.090 0.000 1.163 646 A CA 0.770 52.765 52.037 -0.070 0.000 0.652 646 A CB -0.423 18.550 19.000 -0.045 0.000 0.808 646 A HN 0.236 nan 8.150 nan 0.000 0.449 647 I N 0.251 120.725 120.570 -0.160 0.000 2.252 647 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 647 I C 2.664 178.646 176.117 -0.225 0.000 1.102 647 I CA 1.796 62.980 61.300 -0.193 0.000 1.385 647 I CB -0.196 37.615 38.000 -0.315 0.000 1.064 647 I HN 0.517 nan 8.210 nan 0.000 0.414 648 T N -2.187 112.164 114.554 -0.338 0.000 3.088 648 T HA -0.010 4.340 4.350 -0.000 0.000 0.259 648 T C 1.794 176.450 174.700 -0.074 0.000 1.122 648 T CA 0.302 62.267 62.100 -0.225 0.000 1.095 648 T CB 0.086 68.793 68.868 -0.268 0.000 0.930 648 T HN 0.075 nan 8.240 nan 0.000 0.508 649 M N 2.386 121.941 119.600 -0.075 0.000 2.081 649 M HA 0.085 4.564 4.480 -0.000 0.000 0.261 649 M C 2.584 178.857 176.300 -0.044 0.000 1.075 649 M CA 1.589 56.866 55.300 -0.039 0.000 1.133 649 M CB -0.494 32.086 32.600 -0.034 0.000 1.330 649 M HN 0.436 nan 8.290 nan 0.000 0.414 650 R N -0.286 120.196 120.500 -0.031 0.000 2.276 650 R HA 0.184 4.524 4.340 -0.000 0.000 0.203 650 R C 1.866 178.052 176.300 -0.190 0.000 1.017 650 R CA 0.979 57.066 56.100 -0.021 0.000 1.010 650 R CB -0.666 29.685 30.300 0.086 0.000 0.900 650 R HN 0.243 nan 8.270 nan 0.000 0.469 651 A N 1.798 124.458 122.820 -0.267 0.000 1.872 651 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 651 A C 2.305 179.476 177.584 -0.689 0.000 1.187 651 A CA 1.678 53.285 52.037 -0.717 0.000 0.614 651 A CB -1.005 17.936 19.000 -0.098 0.000 0.826 651 A HN 0.517 nan 8.150 nan 0.000 0.442 652 T N -1.795 112.655 114.554 -0.173 0.000 2.833 652 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 652 T C 1.938 176.605 174.700 -0.056 0.000 1.054 652 T CA 1.341 63.455 62.100 0.022 0.000 1.135 652 T CB -0.309 68.633 68.868 0.122 0.000 0.869 652 T HN 0.513 nan 8.240 nan 0.000 0.466 653 R N 1.361 121.780 120.500 -0.135 0.000 2.075 653 R HA 0.128 4.468 4.340 -0.000 0.000 0.232 653 R C 2.687 178.892 176.300 -0.158 0.000 1.126 653 R CA 1.227 57.267 56.100 -0.100 0.000 0.963 653 R CB -0.649 29.608 30.300 -0.071 0.000 0.858 653 R HN 0.454 nan 8.270 nan 0.000 0.435 654 A N -0.028 122.572 122.820 -0.365 0.000 2.014 654 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 654 A C 1.533 178.949 177.584 -0.280 0.000 1.163 654 A CA 0.840 52.645 52.037 -0.386 0.000 0.652 654 A CB -0.324 18.269 19.000 -0.677 0.000 0.808 654 A HN 0.357 nan 8.150 nan 0.000 0.449 655 F N 0.471 120.330 119.950 -0.152 0.000 2.664 655 F HA 0.045 4.572 4.527 -0.000 0.000 0.296 655 F C 2.409 178.157 175.800 -0.088 0.000 1.125 655 F CA 0.625 58.550 58.000 -0.125 0.000 1.444 655 F CB -0.375 38.544 39.000 -0.135 0.000 1.114 655 F HN 0.291 nan 8.300 nan 0.000 0.576 656 S N -1.824 113.925 115.700 0.081 0.000 2.535 656 S HA 0.061 4.531 4.470 -0.000 0.000 0.214 656 S C 1.602 176.216 174.600 0.022 0.000 0.980 656 S CA -0.061 58.168 58.200 0.048 0.000 0.907 656 S CB 0.113 63.346 63.200 0.055 0.000 0.790 656 S HN 0.215 nan 8.310 nan 0.000 0.510 657 Q N 1.586 121.392 119.800 0.010 0.000 2.240 657 Q HA 0.305 4.645 4.340 -0.000 0.000 0.194 657 Q C 1.784 177.791 176.000 0.012 0.000 0.982 657 Q CA 0.989 56.795 55.803 0.005 0.000 0.842 657 Q CB -0.115 28.619 28.738 -0.007 0.000 0.941 657 Q HN 0.727 nan 8.270 nan 0.000 0.516 658 I N -1.320 119.262 120.570 0.020 0.000 3.862 658 I HA 0.386 4.556 4.170 -0.000 0.000 0.328 658 I C -0.208 175.922 176.117 0.021 0.000 1.474 658 I CA 0.054 61.367 61.300 0.021 0.000 1.215 658 I CB 0.005 38.023 38.000 0.030 0.000 1.183 658 I HN -0.106 nan 8.210 nan 0.000 0.413 659 K N 1.577 121.987 120.400 0.018 0.000 2.349 659 K HA 0.439 4.759 4.320 -0.000 0.000 0.243 659 K C -0.358 176.231 176.600 -0.018 0.000 1.058 659 K CA -0.445 55.841 56.287 -0.002 0.000 0.871 659 K CB 1.620 34.124 32.500 0.006 0.000 1.337 659 K HN 0.290 nan 8.250 nan 0.000 0.469 660 D N -0.319 120.060 120.400 -0.037 0.000 2.914 660 D HA 0.306 4.946 4.640 -0.000 0.000 0.349 660 D C -0.434 175.835 176.300 -0.051 0.000 1.540 660 D CA -0.272 53.706 54.000 -0.037 0.000 0.778 660 D CB 0.681 41.463 40.800 -0.031 0.000 1.213 660 D HN 0.394 nan 8.370 nan 0.000 0.451 661 A N 0.109 122.886 122.820 -0.072 0.000 4.367 661 A HA 0.742 5.062 4.320 -0.000 0.000 0.174 661 A C -1.451 176.051 177.584 -0.138 0.000 0.690 661 A CA -0.553 51.429 52.037 -0.092 0.000 0.856 661 A CB 0.846 19.787 19.000 -0.099 0.000 1.848 661 A HN 0.049 nan 8.150 nan 0.000 0.887 662 M N 1.180 120.660 119.600 -0.200 0.000 1.999 662 M HA 0.533 5.013 4.480 -0.000 0.000 0.299 662 M C -1.358 174.643 176.300 -0.498 0.000 0.900 662 M CA -0.057 55.026 55.300 -0.363 0.000 0.904 662 M CB 1.367 33.788 32.600 -0.298 0.000 1.477 662 M HN 0.350 nan 8.290 nan 0.000 0.403 663 V N 3.406 123.002 119.914 -0.531 0.000 2.735 663 V HA 0.621 4.740 4.120 -0.000 0.000 0.310 663 V C -0.414 175.440 176.094 -0.401 0.000 1.061 663 V CA -0.486 61.526 62.300 -0.479 0.000 0.913 663 V CB 1.905 33.446 31.823 -0.470 0.000 1.005 663 V HN 0.677 nan 8.190 nan 0.000 0.428 664 F N 1.225 121.232 119.950 0.094 0.000 2.083 664 F HA 0.850 5.377 4.527 -0.000 0.000 0.225 664 F C 0.850 176.826 175.800 0.292 0.000 1.146 664 F CA 0.474 58.604 58.000 0.216 0.000 1.267 664 F CB -0.472 38.687 39.000 0.264 0.000 1.684 664 F HN 0.799 nan 8.300 nan 0.000 0.436 665 A N 0.036 123.147 122.820 0.486 0.000 2.435 665 A HA 0.328 4.647 4.320 -0.000 0.000 0.686 665 A C -0.971 176.803 177.584 0.318 0.000 0.138 665 A CA -0.325 51.891 52.037 0.298 0.000 0.024 665 A CB -1.890 17.364 19.000 0.424 0.000 3.974 665 A HN 1.095 nan 8.150 nan 0.000 0.548 666 F N -1.253 118.886 119.950 0.315 0.000 2.858 666 F HA 0.705 5.232 4.527 -0.000 0.000 0.319 666 F C -0.318 175.588 175.800 0.178 0.000 1.166 666 F CA -0.821 57.284 58.000 0.175 0.000 0.899 666 F CB 0.317 39.387 39.000 0.117 0.000 1.332 666 F HN 0.846 nan 8.300 nan 0.000 0.461 667 N N 0.627 119.558 118.700 0.385 0.000 2.405 667 N HA 0.486 5.226 4.740 -0.000 0.000 0.269 667 N C -0.766 174.933 175.510 0.315 0.000 1.249 667 N CA -0.950 52.245 53.050 0.241 0.000 0.974 667 N CB 1.133 39.690 38.487 0.116 0.000 1.204 667 N HN 0.737 nan 8.380 nan 0.000 0.565 668 L N 0.474 121.808 121.223 0.186 0.000 3.218 668 L HA 0.323 4.663 4.340 -0.000 0.000 0.279 668 L C -1.729 175.181 176.870 0.066 0.000 1.287 668 L CA -1.305 53.632 54.840 0.161 0.000 1.024 668 L CB -0.621 41.505 42.059 0.111 0.000 1.409 668 L HN 0.424 nan 8.230 nan 0.000 0.580 669 P HA -0.360 nan 4.420 nan 0.000 0.231 669 P C 0.819 178.097 177.300 -0.037 0.000 1.032 669 P CA 3.142 66.241 63.100 -0.002 0.000 1.048 669 P CB 0.381 32.067 31.700 -0.022 0.000 0.731 670 A N -4.149 118.631 122.820 -0.066 0.000 3.570 670 A HA -0.108 4.212 4.320 -0.000 0.000 0.207 670 A C 0.740 178.184 177.584 -0.233 0.000 1.298 670 A CA 0.084 52.036 52.037 -0.140 0.000 1.172 670 A CB -1.407 17.472 19.000 -0.202 0.000 0.811 670 A HN 0.110 nan 8.150 nan 0.000 0.391 671 I N -1.911 118.409 120.570 -0.417 0.000 4.909 671 I HA -0.307 3.863 4.170 -0.000 0.000 0.038 671 I C 1.319 177.359 176.117 -0.129 0.000 0.635 671 I CA 2.661 63.806 61.300 -0.258 0.000 0.207 671 I CB -1.711 36.200 38.000 -0.148 0.000 0.321 671 I HN 1.740 nan 8.210 nan 0.000 0.152 672 V N -3.048 116.833 119.914 -0.054 0.000 4.821 672 V HA 0.375 4.495 4.120 -0.000 0.000 0.304 672 V C 0.755 176.823 176.094 -0.042 0.000 1.525 672 V CA -0.369 61.909 62.300 -0.037 0.000 0.847 672 V CB 0.759 32.578 31.823 -0.005 0.000 1.269 672 V HN 0.621 nan 8.190 nan 0.000 0.454 673 E N 0.510 120.685 120.200 -0.041 0.000 2.230 673 E HA 0.130 4.480 4.350 -0.000 0.000 0.192 673 E C 0.836 177.421 176.600 -0.025 0.000 0.987 673 E CA 0.728 57.091 56.400 -0.061 0.000 0.841 673 E CB 0.069 29.723 29.700 -0.076 0.000 0.783 673 E HN 0.617 nan 8.360 nan 0.000 0.481 674 L N -2.743 118.489 121.223 0.015 0.000 2.567 674 L HA 0.611 4.950 4.340 -0.000 0.000 0.238 674 L C 1.013 177.928 176.870 0.075 0.000 1.168 674 L CA 0.056 54.921 54.840 0.042 0.000 0.817 674 L CB 0.404 42.501 42.059 0.064 0.000 1.409 674 L HN 0.128 nan 8.230 nan 0.000 0.502 675 G N -0.623 108.227 108.800 0.082 0.000 2.272 675 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.280 675 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.280 675 G C 0.610 175.600 174.900 0.150 0.000 1.067 675 G CA 0.618 45.793 45.100 0.124 0.000 0.902 675 G HN 1.217 nan 8.290 nan 0.000 0.500 676 T N -2.225 112.375 114.554 0.076 0.000 2.833 676 T HA 0.366 4.716 4.350 -0.000 0.000 0.269 676 T C 1.538 176.280 174.700 0.069 0.000 1.054 676 T CA 1.516 63.647 62.100 0.051 0.000 1.135 676 T CB -0.185 68.683 68.868 0.000 0.000 0.869 676 T HN 2.467 nan 8.240 nan 0.000 0.466 677 A N 1.218 124.084 122.820 0.076 0.000 2.429 677 A HA 0.268 4.588 4.320 -0.000 0.000 0.684 677 A C 0.891 178.505 177.584 0.050 0.000 0.143 677 A CA 0.743 52.825 52.037 0.075 0.000 0.046 677 A CB -2.338 16.727 19.000 0.109 0.000 3.961 677 A HN 2.310 nan 8.150 nan 0.000 0.546 678 T N -1.230 113.352 114.554 0.046 0.000 3.970 678 T HA 0.312 4.662 4.350 -0.000 0.000 0.361 678 T C 1.305 176.038 174.700 0.055 0.000 0.758 678 T CA 2.086 64.213 62.100 0.044 0.000 1.940 678 T CB -2.241 66.643 68.868 0.027 0.000 1.821 678 T HN 3.102 nan 8.240 nan 0.000 0.818 679 G N 0.345 109.189 108.800 0.074 0.000 2.720 679 G HA2 0.786 4.746 3.960 -0.000 0.000 0.295 679 G HA3 0.786 4.746 3.960 -0.000 0.000 0.295 679 G C -0.997 173.993 174.900 0.149 0.000 1.437 679 G CA -0.566 44.568 45.100 0.057 0.000 0.886 679 G HN 1.353 nan 8.290 nan 0.000 0.509 680 F N -0.637 119.328 119.950 0.024 0.000 2.715 680 F HA 0.870 5.397 4.527 -0.000 0.000 0.318 680 F C -1.922 173.952 175.800 0.123 0.000 1.141 680 F CA -1.422 56.628 58.000 0.084 0.000 0.950 680 F CB 2.465 41.566 39.000 0.168 0.000 1.374 680 F HN 0.453 nan 8.300 nan 0.000 0.477 681 D N 1.261 121.951 120.400 0.483 0.000 2.336 681 D HA 0.256 4.896 4.640 -0.000 0.000 0.248 681 D C -1.721 174.839 176.300 0.433 0.000 1.326 681 D CA -0.121 54.041 54.000 0.271 0.000 0.973 681 D CB 0.734 41.588 40.800 0.090 0.000 1.255 681 D HN 0.514 nan 8.370 nan 0.000 0.558 682 F N 2.115 122.191 119.950 0.209 0.000 2.378 682 F HA 0.589 5.116 4.527 -0.000 0.000 0.319 682 F C 0.300 175.910 175.800 -0.318 0.000 1.155 682 F CA -0.165 57.621 58.000 -0.356 0.000 1.157 682 F CB 1.123 39.910 39.000 -0.355 0.000 1.252 682 F HN 0.314 nan 8.300 nan 0.000 0.550 683 E N 2.063 121.577 120.200 -1.143 0.000 2.390 683 E HA 0.525 4.875 4.350 -0.000 0.000 0.277 683 E C -2.296 173.767 176.600 -0.895 0.000 0.939 683 E CA -0.868 55.059 56.400 -0.788 0.000 0.769 683 E CB 1.853 31.116 29.700 -0.729 0.000 1.251 683 E HN 0.506 nan 8.360 nan 0.000 0.450 684 L N 4.554 125.511 121.223 -0.444 0.000 2.376 684 L HA 0.611 4.950 4.340 -0.000 0.000 0.275 684 L C -1.644 175.128 176.870 -0.163 0.000 0.987 684 L CA -0.331 54.360 54.840 -0.248 0.000 0.828 684 L CB 1.162 43.178 42.059 -0.073 0.000 1.249 684 L HN 0.664 nan 8.230 nan 0.000 0.409 685 I N 2.967 123.463 120.570 -0.123 0.000 2.707 685 I HA 0.323 4.493 4.170 -0.000 0.000 0.309 685 I C -0.624 175.476 176.117 -0.029 0.000 1.001 685 I CA -0.619 60.639 61.300 -0.071 0.000 1.129 685 I CB 2.007 39.968 38.000 -0.066 0.000 1.308 685 I HN 0.598 nan 8.210 nan 0.000 0.466 686 D N 3.794 124.185 120.400 -0.015 0.000 2.500 686 D HA 0.133 4.773 4.640 -0.000 0.000 0.219 686 D C 0.535 176.835 176.300 0.001 0.000 1.137 686 D CA -0.004 53.993 54.000 -0.004 0.000 0.946 686 D CB 0.968 41.766 40.800 -0.004 0.000 1.022 686 D HN 0.349 nan 8.370 nan 0.000 0.518 687 Q N 1.714 121.515 119.800 0.001 0.000 2.245 687 Q HA 0.173 4.513 4.340 -0.000 0.000 0.201 687 Q C 0.488 176.490 176.000 0.003 0.000 0.955 687 Q CA 0.606 56.409 55.803 -0.000 0.000 0.870 687 Q CB 0.320 29.055 28.738 -0.004 0.000 0.945 687 Q HN 0.533 nan 8.270 nan 0.000 0.461 688 A N -1.351 121.473 122.820 0.007 0.000 2.580 688 A HA 0.659 4.978 4.320 -0.000 0.000 0.275 688 A C 0.744 178.334 177.584 0.009 0.000 1.321 688 A CA -0.179 51.863 52.037 0.008 0.000 0.924 688 A CB 0.008 19.015 19.000 0.011 0.000 1.512 688 A HN 0.272 nan 8.150 nan 0.000 0.492 689 G N 0.010 108.816 108.800 0.010 0.000 3.639 689 G HA2 0.465 4.424 3.960 -0.000 0.000 0.279 689 G HA3 0.465 4.424 3.960 -0.000 0.000 0.279 689 G C 0.240 175.150 174.900 0.016 0.000 1.312 689 G CA -0.251 44.856 45.100 0.012 0.000 1.355 689 G HN 0.431 nan 8.290 nan 0.000 0.595 690 L N -0.591 120.643 121.223 0.018 0.000 2.540 690 L HA 0.728 5.068 4.340 -0.000 0.000 0.215 690 L C 1.243 178.132 176.870 0.031 0.000 1.204 690 L CA -0.605 54.250 54.840 0.024 0.000 0.841 690 L CB 0.150 42.224 42.059 0.025 0.000 1.420 690 L HN 0.213 nan 8.230 nan 0.000 0.519 691 G N -2.761 106.066 108.800 0.045 0.000 3.251 691 G HA2 0.218 4.178 3.960 -0.000 0.000 0.248 691 G HA3 0.218 4.178 3.960 -0.000 0.000 0.248 691 G C 0.099 175.064 174.900 0.109 0.000 1.320 691 G CA -0.156 44.985 45.100 0.069 0.000 0.982 691 G HN 0.608 nan 8.290 nan 0.000 0.575 692 H N 0.407 119.486 119.070 0.015 0.000 2.333 692 H HA -0.066 4.490 4.556 -0.000 0.000 0.302 692 H C 2.505 177.840 175.328 0.012 0.000 1.075 692 H CA 2.098 58.155 56.048 0.016 0.000 1.348 692 H CB -0.022 29.753 29.762 0.023 0.000 1.393 692 H HN 0.648 nan 8.280 nan 0.000 0.509 693 E N 1.038 121.330 120.200 0.153 0.000 2.118 693 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 693 E C 1.795 178.436 176.600 0.067 0.000 0.992 693 E CA 1.170 57.600 56.400 0.049 0.000 0.804 693 E CB -0.241 29.460 29.700 0.002 0.000 0.741 693 E HN 0.463 nan 8.360 nan 0.000 0.458 694 K N 0.403 120.846 120.400 0.072 0.000 2.167 694 K HA 0.068 4.387 4.320 -0.000 0.000 0.203 694 K C 2.392 179.024 176.600 0.052 0.000 1.052 694 K CA 0.498 56.814 56.287 0.049 0.000 0.956 694 K CB -0.016 32.507 32.500 0.039 0.000 0.735 694 K HN 0.109 nan 8.250 nan 0.000 0.451 695 L N 1.208 122.472 121.223 0.070 0.000 2.095 695 L HA -0.130 4.210 4.340 -0.000 0.000 0.204 695 L C 2.142 179.045 176.870 0.055 0.000 1.080 695 L CA 1.251 56.118 54.840 0.046 0.000 0.759 695 L CB -0.393 41.676 42.059 0.015 0.000 0.914 695 L HN 0.113 nan 8.230 nan 0.000 0.439 696 T N -0.581 114.041 114.554 0.114 0.000 2.653 696 T HA -0.382 3.968 4.350 -0.000 0.000 0.267 696 T C 1.721 176.450 174.700 0.049 0.000 1.037 696 T CA 2.218 64.383 62.100 0.108 0.000 1.159 696 T CB -0.241 68.713 68.868 0.143 0.000 0.859 696 T HN 0.337 nan 8.240 nan 0.000 0.449 697 Q N 0.594 120.416 119.800 0.037 0.000 2.119 697 Q HA 0.121 4.461 4.340 -0.000 0.000 0.201 697 Q C 2.308 178.318 176.000 0.016 0.000 0.972 697 Q CA 1.593 57.406 55.803 0.017 0.000 0.847 697 Q CB -0.598 28.147 28.738 0.012 0.000 0.903 697 Q HN 0.529 nan 8.270 nan 0.000 0.433 698 A N 0.974 123.807 122.820 0.021 0.000 1.933 698 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 698 A C 2.073 179.667 177.584 0.017 0.000 1.175 698 A CA 1.653 53.701 52.037 0.018 0.000 0.628 698 A CB -0.681 18.333 19.000 0.023 0.000 0.814 698 A HN 0.384 nan 8.150 nan 0.000 0.444 699 R N 0.281 120.793 120.500 0.020 0.000 2.119 699 R HA -0.053 4.286 4.340 -0.000 0.000 0.222 699 R C 1.357 177.664 176.300 0.012 0.000 1.088 699 R CA 1.796 57.908 56.100 0.020 0.000 0.984 699 R CB -0.899 29.412 30.300 0.018 0.000 0.884 699 R HN 0.579 nan 8.270 nan 0.000 0.447 700 N N 0.590 119.295 118.700 0.009 0.000 2.223 700 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 700 N C 1.806 177.314 175.510 -0.004 0.000 1.016 700 N CA 1.213 54.264 53.050 0.001 0.000 0.863 700 N CB 0.020 38.506 38.487 -0.001 0.000 0.983 700 N HN 0.376 nan 8.380 nan 0.000 0.429 701 Q N 0.067 119.866 119.800 -0.002 0.000 2.331 701 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 701 Q C 1.899 177.889 176.000 -0.016 0.000 0.944 701 Q CA 0.400 56.200 55.803 -0.006 0.000 0.892 701 Q CB 0.265 29.002 28.738 -0.002 0.000 0.983 701 Q HN 0.458 nan 8.270 nan 0.000 0.482 702 L N -0.976 120.234 121.223 -0.021 0.000 2.249 702 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 702 L C 1.594 178.429 176.870 -0.059 0.000 1.090 702 L CA 0.622 55.432 54.840 -0.051 0.000 0.802 702 L CB 0.051 42.079 42.059 -0.053 0.000 0.947 702 L HN 0.168 nan 8.230 nan 0.000 0.453 703 L N 0.460 121.664 121.223 -0.032 0.000 2.201 703 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 703 L C 2.812 179.662 176.870 -0.033 0.000 1.105 703 L CA 0.991 55.815 54.840 -0.028 0.000 0.775 703 L CB -0.823 41.229 42.059 -0.011 0.000 0.913 703 L HN 0.391 nan 8.230 nan 0.000 0.440 704 A N -0.199 122.605 122.820 -0.027 0.000 1.832 704 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 704 A C 2.200 179.767 177.584 -0.028 0.000 1.204 704 A CA 1.074 53.098 52.037 -0.021 0.000 0.606 704 A CB -0.371 18.623 19.000 -0.011 0.000 0.849 704 A HN 0.279 nan 8.150 nan 0.000 0.445 705 E N 0.298 120.484 120.200 -0.023 0.000 2.209 705 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 705 E C 2.194 178.729 176.600 -0.108 0.000 0.993 705 E CA 1.084 57.482 56.400 -0.003 0.000 0.819 705 E CB -0.534 29.183 29.700 0.028 0.000 0.745 705 E HN 0.572 nan 8.360 nan 0.000 0.477 706 A N 1.506 124.242 122.820 -0.140 0.000 1.858 706 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 706 A C 2.203 179.669 177.584 -0.195 0.000 1.190 706 A CA 1.773 53.687 52.037 -0.204 0.000 0.617 706 A CB -0.378 18.545 19.000 -0.127 0.000 0.827 706 A HN 0.229 nan 8.150 nan 0.000 0.443 707 A N -1.434 121.321 122.820 -0.108 0.000 2.370 707 A HA 0.236 4.556 4.320 -0.000 0.000 0.238 707 A C 1.681 179.232 177.584 -0.055 0.000 1.289 707 A CA 0.797 52.789 52.037 -0.076 0.000 0.885 707 A CB -0.204 18.770 19.000 -0.043 0.000 0.961 707 A HN 0.371 nan 8.150 nan 0.000 0.499 708 K N 0.562 120.926 120.400 -0.060 0.000 2.399 708 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 708 K C 0.227 176.864 176.600 0.061 0.000 1.103 708 K CA 0.753 57.041 56.287 0.003 0.000 0.986 708 K CB 0.130 32.647 32.500 0.028 0.000 0.952 708 K HN 0.746 nan 8.250 nan 0.000 0.541 709 H N 0.139 119.194 119.070 -0.024 0.000 2.616 709 H HA 0.436 4.991 4.556 -0.000 0.000 0.229 709 H C -2.904 172.410 175.328 -0.024 0.000 1.418 709 H CA -1.524 54.509 56.048 -0.024 0.000 1.248 709 H CB 0.758 30.503 29.762 -0.027 0.000 1.822 709 H HN -0.080 nan 8.280 nan 0.000 0.522 710 P HA 0.264 nan 4.420 nan 0.000 0.306 710 P C -0.638 176.652 177.300 -0.017 0.000 1.385 710 P CA -0.110 62.936 63.100 -0.089 0.000 0.915 710 P CB 1.982 33.619 31.700 -0.104 0.000 1.013 711 D N 2.729 123.131 120.400 0.002 0.000 4.465 711 D HA -0.183 4.457 4.640 -0.000 0.000 0.244 711 D C -1.189 175.104 176.300 -0.012 0.000 1.062 711 D CA 0.446 54.452 54.000 0.011 0.000 1.227 711 D CB -1.327 39.501 40.800 0.046 0.000 0.829 711 D HN 0.259 nan 8.370 nan 0.000 0.402 712 M N 5.260 124.856 119.600 -0.008 0.000 2.974 712 M HA 0.204 4.684 4.480 -0.000 0.000 0.301 712 M C 0.748 177.043 176.300 -0.008 0.000 1.409 712 M CA -0.876 54.422 55.300 -0.002 0.000 1.515 712 M CB 0.293 32.893 32.600 0.000 0.000 1.163 712 M HN 0.417 nan 8.290 nan 0.000 0.520 713 L N -0.073 121.142 121.223 -0.013 0.000 5.065 713 L HA -0.246 4.094 4.340 -0.000 0.000 0.054 713 L C 0.098 176.956 176.870 -0.020 0.000 1.900 713 L CA 1.265 56.091 54.840 -0.024 0.000 2.031 713 L CB -2.325 39.722 42.059 -0.020 0.000 2.299 713 L HN 0.718 nan 8.230 nan 0.000 0.790 714 T N -4.919 109.627 114.554 -0.013 0.000 2.622 714 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 714 T C -0.460 174.241 174.700 0.001 0.000 1.950 714 T CA -0.139 61.965 62.100 0.007 0.000 0.947 714 T CB 0.414 69.285 68.868 0.004 0.000 2.084 714 T HN 1.682 nan 8.240 nan 0.000 0.463 715 S N 0.555 116.260 115.700 0.010 0.000 2.423 715 S HA 0.575 5.044 4.470 -0.000 0.000 0.213 715 S C -0.650 173.925 174.600 -0.041 0.000 1.131 715 S CA -0.249 57.938 58.200 -0.022 0.000 1.155 715 S CB -0.031 63.145 63.200 -0.039 0.000 1.202 715 S HN 1.548 nan 8.310 nan 0.000 0.441 716 V N 2.407 122.307 119.914 -0.024 0.000 2.732 716 V HA 1.041 5.161 4.120 -0.000 0.000 0.310 716 V C -0.493 175.580 176.094 -0.035 0.000 1.053 716 V CA -0.967 61.318 62.300 -0.025 0.000 0.957 716 V CB 1.155 32.986 31.823 0.015 0.000 1.018 716 V HN 1.105 nan 8.190 nan 0.000 0.452 717 R N 2.152 122.627 120.500 -0.042 0.000 2.739 717 R HA 0.625 4.965 4.340 -0.000 0.000 0.266 717 R C -3.297 172.989 176.300 -0.024 0.000 1.044 717 R CA -1.196 54.888 56.100 -0.027 0.000 0.885 717 R CB 0.851 31.135 30.300 -0.027 0.000 1.260 717 R HN 0.512 nan 8.270 nan 0.000 0.477 718 P HA 0.108 nan 4.420 nan 0.000 0.277 718 P C -0.710 176.590 177.300 -0.000 0.000 1.271 718 P CA -0.381 62.720 63.100 0.001 0.000 0.795 718 P CB 1.001 32.709 31.700 0.014 0.000 1.101 719 N N -0.695 118.007 118.700 0.003 0.000 2.278 719 N HA 0.074 4.814 4.740 -0.000 0.000 0.181 719 N C 0.715 176.247 175.510 0.037 0.000 1.023 719 N CA 0.931 53.988 53.050 0.011 0.000 0.862 719 N CB 0.063 38.547 38.487 -0.005 0.000 1.003 719 N HN 0.599 nan 8.380 nan 0.000 0.431 720 G N -0.092 108.734 108.800 0.043 0.000 4.529 720 G HA2 0.203 4.163 3.960 -0.000 0.000 0.230 720 G HA3 0.203 4.163 3.960 -0.000 0.000 0.230 720 G C -0.714 174.223 174.900 0.061 0.000 3.287 720 G CA -0.416 44.719 45.100 0.058 0.000 0.646 720 G HN 0.134 nan 8.290 nan 0.000 0.205 721 L N 0.128 121.386 121.223 0.058 0.000 3.034 721 L HA 0.395 4.735 4.340 -0.000 0.000 0.245 721 L C 1.660 178.578 176.870 0.080 0.000 1.295 721 L CA -0.310 54.575 54.840 0.074 0.000 1.068 721 L CB 0.561 42.662 42.059 0.070 0.000 1.426 721 L HN 0.086 nan 8.230 nan 0.000 0.531 722 E N 0.753 120.995 120.200 0.070 0.000 2.271 722 E HA -0.285 4.065 4.350 -0.000 0.000 0.209 722 E C 0.180 176.819 176.600 0.065 0.000 1.046 722 E CA 1.597 58.035 56.400 0.062 0.000 0.840 722 E CB -0.268 29.463 29.700 0.052 0.000 0.738 722 E HN 0.554 nan 8.360 nan 0.000 0.470 723 D N -1.011 119.442 120.400 0.089 0.000 4.161 723 D HA -0.126 4.514 4.640 -0.000 0.000 0.246 723 D C -0.945 175.448 176.300 0.155 0.000 1.064 723 D CA 1.056 55.112 54.000 0.093 0.000 1.187 723 D CB -0.535 40.276 40.800 0.019 0.000 0.871 723 D HN 0.220 nan 8.370 nan 0.000 0.413 724 T N 0.739 115.416 114.554 0.205 0.000 2.940 724 T HA 0.892 5.241 4.350 -0.000 0.000 0.288 724 T C -2.686 172.164 174.700 0.250 0.000 1.045 724 T CA -1.776 60.470 62.100 0.243 0.000 1.018 724 T CB 2.326 71.279 68.868 0.142 0.000 1.151 724 T HN -0.007 nan 8.240 nan 0.000 0.529 725 P HA 0.378 nan 4.420 nan 0.000 0.274 725 P C -1.088 176.320 177.300 0.180 0.000 1.256 725 P CA -0.506 62.571 63.100 -0.038 0.000 0.795 725 P CB 0.258 31.848 31.700 -0.184 0.000 1.038 726 Q N -0.223 119.709 119.800 0.220 0.000 2.281 726 Q HA 0.350 4.690 4.340 -0.000 0.000 0.263 726 Q C -1.539 174.487 176.000 0.044 0.000 0.989 726 Q CA -0.492 55.399 55.803 0.147 0.000 0.852 726 Q CB 1.712 30.487 28.738 0.061 0.000 1.337 726 Q HN 0.310 nan 8.270 nan 0.000 0.418 727 F N 3.239 123.006 119.950 -0.305 0.000 2.462 727 F HA 0.254 4.780 4.527 -0.000 0.000 0.354 727 F C 0.260 175.810 175.800 -0.417 0.000 1.192 727 F CA -0.299 57.312 58.000 -0.647 0.000 1.173 727 F CB 0.268 38.711 39.000 -0.929 0.000 1.402 727 F HN 0.342 nan 8.300 nan 0.000 0.595 728 K N 5.470 125.487 120.400 -0.638 0.000 2.237 728 K HA 0.468 4.787 4.320 -0.000 0.000 0.270 728 K C -0.887 175.343 176.600 -0.617 0.000 1.015 728 K CA -0.252 55.752 56.287 -0.471 0.000 0.949 728 K CB 0.612 32.929 32.500 -0.305 0.000 0.976 728 K HN 0.653 nan 8.250 nan 0.000 0.472 729 I N 3.463 123.818 120.570 -0.359 0.000 2.439 729 I HA 0.149 4.319 4.170 -0.000 0.000 0.283 729 I C -1.102 174.929 176.117 -0.143 0.000 1.023 729 I CA -0.876 60.272 61.300 -0.253 0.000 1.100 729 I CB 1.808 39.726 38.000 -0.136 0.000 1.238 729 I HN 0.616 nan 8.210 nan 0.000 0.445 730 D N 7.170 127.494 120.400 -0.126 0.000 2.316 730 D HA 0.385 5.025 4.640 -0.000 0.000 0.245 730 D C -0.152 176.126 176.300 -0.037 0.000 1.171 730 D CA 0.047 53.999 54.000 -0.079 0.000 0.856 730 D CB 1.154 41.908 40.800 -0.077 0.000 1.090 730 D HN 0.317 nan 8.370 nan 0.000 0.476 731 I N 2.298 122.840 120.570 -0.047 0.000 2.297 731 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 731 I C 0.206 176.288 176.117 -0.057 0.000 1.033 731 I CA -0.722 60.544 61.300 -0.057 0.000 1.253 731 I CB 0.974 38.881 38.000 -0.155 0.000 1.396 731 I HN 0.238 nan 8.210 nan 0.000 0.476 732 D N 5.692 126.083 120.400 -0.014 0.000 2.371 732 D HA 0.014 4.654 4.640 -0.000 0.000 0.256 732 D C 1.065 177.344 176.300 -0.035 0.000 1.193 732 D CA 0.145 54.137 54.000 -0.013 0.000 0.881 732 D CB 1.092 41.902 40.800 0.016 0.000 1.143 732 D HN 0.376 nan 8.370 nan 0.000 0.473 733 Q N 2.876 122.648 119.800 -0.046 0.000 2.123 733 Q HA -0.127 4.213 4.340 -0.000 0.000 0.199 733 Q C 1.470 177.449 176.000 -0.035 0.000 0.966 733 Q CA 1.070 56.837 55.803 -0.060 0.000 0.845 733 Q CB 0.052 28.758 28.738 -0.054 0.000 0.907 733 Q HN 0.728 nan 8.270 nan 0.000 0.439 734 E N 0.771 120.961 120.200 -0.016 0.000 2.106 734 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 734 E C 1.872 178.480 176.600 0.013 0.000 0.984 734 E CA 0.665 57.063 56.400 -0.003 0.000 0.806 734 E CB -0.146 29.554 29.700 0.000 0.000 0.750 734 E HN 0.158 nan 8.360 nan 0.000 0.458 735 K N 0.772 121.189 120.400 0.028 0.000 2.147 735 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 735 K C 2.261 178.917 176.600 0.093 0.000 1.049 735 K CA 1.040 57.365 56.287 0.063 0.000 0.936 735 K CB -0.132 32.422 32.500 0.091 0.000 0.722 735 K HN 0.151 nan 8.250 nan 0.000 0.446 736 A N 1.861 124.714 122.820 0.055 0.000 1.841 736 A HA -0.187 4.133 4.320 -0.000 0.000 0.214 736 A C 2.106 179.702 177.584 0.019 0.000 1.195 736 A CA 1.156 53.207 52.037 0.023 0.000 0.611 736 A CB -0.456 18.439 19.000 -0.174 0.000 0.835 736 A HN 0.299 nan 8.150 nan 0.000 0.443 737 Q N -0.280 119.516 119.800 -0.007 0.000 2.170 737 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 737 Q C 2.365 178.374 176.000 0.015 0.000 0.976 737 Q CA 1.174 56.975 55.803 -0.003 0.000 0.858 737 Q CB -0.498 28.233 28.738 -0.012 0.000 0.907 737 Q HN 0.645 nan 8.270 nan 0.000 0.433 738 A N 2.116 124.950 122.820 0.023 0.000 1.869 738 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 738 A C 2.170 179.775 177.584 0.034 0.000 1.203 738 A CA 1.715 53.768 52.037 0.026 0.000 0.638 738 A CB -0.897 18.120 19.000 0.029 0.000 0.831 738 A HN 0.360 nan 8.150 nan 0.000 0.450 739 L N -2.071 119.183 121.223 0.051 0.000 2.313 739 L HA 0.268 4.607 4.340 -0.000 0.000 0.214 739 L C 1.401 178.304 176.870 0.055 0.000 1.119 739 L CA 0.475 55.349 54.840 0.057 0.000 0.809 739 L CB -0.895 41.211 42.059 0.078 0.000 0.933 739 L HN 0.660 nan 8.230 nan 0.000 0.449 740 G N 1.366 110.196 108.800 0.050 0.000 2.526 740 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.225 740 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.225 740 G C -0.268 174.658 174.900 0.044 0.000 1.120 740 G CA -0.180 44.943 45.100 0.038 0.000 0.904 740 G HN 0.189 nan 8.290 nan 0.000 0.498 741 V N -2.118 117.819 119.914 0.038 0.000 2.555 741 V HA 0.890 5.010 4.120 -0.000 0.000 0.302 741 V C 0.713 176.788 176.094 -0.032 0.000 1.038 741 V CA -0.602 61.713 62.300 0.024 0.000 0.887 741 V CB 1.755 33.613 31.823 0.058 0.000 0.991 741 V HN 0.707 nan 8.190 nan 0.000 0.434 742 S N 1.919 117.604 115.700 -0.025 0.000 2.548 742 S HA 0.451 4.921 4.470 -0.000 0.000 0.277 742 S C 0.998 175.546 174.600 -0.087 0.000 1.315 742 S CA -0.432 57.744 58.200 -0.041 0.000 1.050 742 S CB 0.455 63.646 63.200 -0.014 0.000 0.918 742 S HN 0.641 nan 8.310 nan 0.000 0.497 743 I N 4.332 124.842 120.570 -0.099 0.000 2.676 743 I HA -0.101 4.069 4.170 -0.000 0.000 0.259 743 I C 1.965 178.029 176.117 -0.088 0.000 1.194 743 I CA 0.582 61.802 61.300 -0.133 0.000 1.473 743 I CB -0.276 37.654 38.000 -0.116 0.000 1.096 743 I HN 0.534 nan 8.210 nan 0.000 0.443 744 N N 0.903 119.575 118.700 -0.047 0.000 2.058 744 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 744 N C 1.522 177.030 175.510 -0.004 0.000 1.037 744 N CA 1.485 54.525 53.050 -0.018 0.000 0.848 744 N CB -0.511 37.973 38.487 -0.005 0.000 1.021 744 N HN 0.343 nan 8.380 nan 0.000 0.422 745 D N 0.869 121.270 120.400 0.000 0.000 2.158 745 D HA -0.111 4.528 4.640 -0.000 0.000 0.197 745 D C 2.044 178.372 176.300 0.046 0.000 0.995 745 D CA 0.705 54.724 54.000 0.032 0.000 0.846 745 D CB -0.083 40.742 40.800 0.043 0.000 0.941 745 D HN 0.300 nan 8.370 nan 0.000 0.456 746 I N 1.253 121.809 120.570 -0.023 0.000 2.252 746 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 746 I C 2.050 178.206 176.117 0.066 0.000 1.102 746 I CA 0.704 61.978 61.300 -0.044 0.000 1.385 746 I CB -0.156 37.626 38.000 -0.363 0.000 1.064 746 I HN -0.066 nan 8.210 nan 0.000 0.414 747 N N -0.148 118.560 118.700 0.013 0.000 2.270 747 N HA -0.144 4.596 4.740 -0.000 0.000 0.181 747 N C 1.867 177.411 175.510 0.057 0.000 1.016 747 N CA 1.640 54.710 53.050 0.034 0.000 0.870 747 N CB -0.357 38.133 38.487 0.005 0.000 0.979 747 N HN 0.266 nan 8.380 nan 0.000 0.431 748 T N -0.545 114.044 114.554 0.058 0.000 3.129 748 T HA 0.081 4.431 4.350 -0.000 0.000 0.251 748 T C 1.337 176.070 174.700 0.055 0.000 1.117 748 T CA 0.629 62.763 62.100 0.057 0.000 1.034 748 T CB -0.062 68.839 68.868 0.055 0.000 0.968 748 T HN 0.095 nan 8.240 nan 0.000 0.526 749 T N 1.499 116.105 114.554 0.087 0.000 2.937 749 T HA 0.144 4.494 4.350 -0.000 0.000 0.260 749 T C 1.600 176.258 174.700 -0.069 0.000 1.051 749 T CA 0.585 62.721 62.100 0.061 0.000 1.141 749 T CB -0.177 68.840 68.868 0.247 0.000 0.879 749 T HN 0.230 nan 8.240 nan 0.000 0.459 750 L N 1.147 122.402 121.223 0.052 0.000 2.240 750 L HA 0.317 4.656 4.340 -0.000 0.000 0.211 750 L C 2.263 179.157 176.870 0.041 0.000 1.106 750 L CA 1.244 56.087 54.840 0.004 0.000 0.793 750 L CB -0.639 41.451 42.059 0.052 0.000 0.927 750 L HN 0.286 nan 8.230 nan 0.000 0.446 751 G N -1.549 107.270 108.800 0.031 0.000 2.490 751 G HA2 0.014 3.974 3.960 -0.000 0.000 0.211 751 G HA3 0.014 3.974 3.960 -0.000 0.000 0.211 751 G C 1.324 176.255 174.900 0.051 0.000 1.159 751 G CA 0.395 45.521 45.100 0.043 0.000 0.819 751 G HN 0.444 nan 8.290 nan 0.000 0.539 752 A N 0.140 122.973 122.820 0.023 0.000 2.278 752 A HA 0.721 5.040 4.320 -0.000 0.000 0.212 752 A C 2.022 179.579 177.584 -0.045 0.000 1.213 752 A CA 1.300 53.350 52.037 0.021 0.000 0.840 752 A CB -0.135 18.883 19.000 0.030 0.000 0.866 752 A HN 0.532 nan 8.150 nan 0.000 0.489 753 A N -1.370 121.358 122.820 -0.154 0.000 1.993 753 A HA 0.281 4.601 4.320 -0.000 0.000 0.202 753 A C 1.642 179.067 177.584 -0.266 0.000 1.461 753 A CA 0.455 52.268 52.037 -0.373 0.000 0.824 753 A CB -0.559 17.746 19.000 -1.158 0.000 1.024 753 A HN 0.561 nan 8.150 nan 0.000 0.507 754 W N -0.048 121.123 121.300 -0.215 0.000 2.494 754 W HA 0.247 4.907 4.660 -0.000 0.000 0.286 754 W C 2.155 178.650 176.519 -0.041 0.000 1.218 754 W CA 1.251 58.528 57.345 -0.114 0.000 1.313 754 W CB 0.009 29.373 29.460 -0.160 0.000 1.105 754 W HN 0.392 nan 8.180 nan 0.000 0.561 755 G N -1.216 107.689 108.800 0.174 0.000 3.079 755 G HA2 0.459 4.419 3.960 -0.000 0.000 0.233 755 G HA3 0.459 4.419 3.960 -0.000 0.000 0.233 755 G C 0.494 175.462 174.900 0.113 0.000 1.062 755 G CA 0.221 45.393 45.100 0.120 0.000 0.809 755 G HN 0.408 nan 8.290 nan 0.000 0.535 756 G N -0.898 107.974 108.800 0.120 0.000 2.730 756 G HA2 0.292 4.252 3.960 -0.000 0.000 0.686 756 G HA3 0.292 4.252 3.960 -0.000 0.000 0.686 756 G C -0.532 174.496 174.900 0.214 0.000 1.343 756 G CA 0.024 45.224 45.100 0.167 0.000 0.826 756 G HN 1.206 nan 8.290 nan 0.000 0.582 757 S N -0.798 115.063 115.700 0.268 0.000 2.603 757 S HA 0.542 5.011 4.470 -0.000 0.000 0.274 757 S C -0.792 173.869 174.600 0.102 0.000 1.168 757 S CA -0.424 57.899 58.200 0.205 0.000 0.963 757 S CB 1.119 64.387 63.200 0.114 0.000 1.078 757 S HN 1.473 nan 8.310 nan 0.000 0.477 758 Y N 5.768 126.028 120.300 -0.067 0.000 2.674 758 Y HA 0.251 4.801 4.550 -0.000 0.000 0.354 758 Y C 0.991 176.771 175.900 -0.199 0.000 1.089 758 Y CA 0.446 58.344 58.100 -0.336 0.000 1.444 758 Y CB 0.214 38.553 38.460 -0.202 0.000 1.187 758 Y HN 0.533 nan 8.280 nan 0.000 0.523 759 V N 4.534 124.278 119.914 -0.284 0.000 2.326 759 V HA 0.014 4.134 4.120 -0.000 0.000 0.238 759 V C 0.320 176.369 176.094 -0.077 0.000 1.038 759 V CA 0.942 63.170 62.300 -0.119 0.000 1.032 759 V CB -0.375 31.365 31.823 -0.137 0.000 0.675 759 V HN 0.736 nan 8.190 nan 0.000 0.467 760 N N -1.708 116.860 118.700 -0.220 0.000 3.020 760 N HA 0.307 5.047 4.740 -0.000 0.000 0.248 760 N C -2.238 173.198 175.510 -0.123 0.000 1.480 760 N CA -0.588 52.417 53.050 -0.075 0.000 0.874 760 N CB 1.920 40.415 38.487 0.013 0.000 1.433 760 N HN 0.068 nan 8.380 nan 0.000 0.530 761 D N 0.608 121.030 120.400 0.038 0.000 2.192 761 D HA 0.414 5.053 4.640 -0.000 0.000 0.246 761 D C -0.786 175.648 176.300 0.223 0.000 1.042 761 D CA -0.044 54.014 54.000 0.098 0.000 0.847 761 D CB 1.070 41.927 40.800 0.094 0.000 1.186 761 D HN 0.421 nan 8.370 nan 0.000 0.461 762 F N -0.292 119.672 119.950 0.023 0.000 2.746 762 F HA 0.759 5.286 4.527 -0.000 0.000 0.378 762 F C -1.200 174.638 175.800 0.063 0.000 1.165 762 F CA -1.141 56.917 58.000 0.096 0.000 1.089 762 F CB 0.954 40.091 39.000 0.228 0.000 1.439 762 F HN 0.055 nan 8.300 nan 0.000 0.516 763 I N 1.490 121.797 120.570 -0.438 0.000 2.439 763 I HA 0.231 4.401 4.170 -0.000 0.000 0.283 763 I C -1.570 174.234 176.117 -0.521 0.000 1.023 763 I CA -0.113 60.891 61.300 -0.494 0.000 1.100 763 I CB 1.470 39.380 38.000 -0.150 0.000 1.238 763 I HN 0.580 nan 8.210 nan 0.000 0.445 764 D N 6.177 126.179 120.400 -0.662 0.000 2.392 764 D HA 0.412 5.051 4.640 -0.000 0.000 0.228 764 D C 0.467 176.717 176.300 -0.083 0.000 1.074 764 D CA -0.327 53.542 54.000 -0.220 0.000 0.838 764 D CB 0.621 41.360 40.800 -0.101 0.000 1.067 764 D HN 0.422 nan 8.370 nan 0.000 0.511 765 R N 3.262 123.755 120.500 -0.012 0.000 3.423 765 R HA -0.211 4.129 4.340 -0.000 0.000 0.271 765 R C 0.982 177.281 176.300 -0.001 0.000 1.093 765 R CA 0.915 57.025 56.100 0.016 0.000 0.730 765 R CB -1.524 28.807 30.300 0.051 0.000 1.190 765 R HN 0.975 nan 8.270 nan 0.000 0.437 766 G N -0.728 108.057 108.800 -0.026 0.000 2.420 766 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.221 766 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.221 766 G C 0.225 175.094 174.900 -0.051 0.000 1.117 766 G CA 0.310 45.394 45.100 -0.027 0.000 0.657 766 G HN 0.434 nan 8.290 nan 0.000 0.512 767 R N 0.374 120.836 120.500 -0.063 0.000 2.500 767 R HA 0.580 4.919 4.340 -0.000 0.000 0.275 767 R C -0.005 176.205 176.300 -0.151 0.000 1.051 767 R CA 0.069 56.124 56.100 -0.076 0.000 1.088 767 R CB 1.590 31.863 30.300 -0.045 0.000 1.063 767 R HN 0.458 nan 8.270 nan 0.000 0.511 768 V N 4.240 124.078 119.914 -0.126 0.000 2.383 768 V HA 0.348 4.468 4.120 -0.000 0.000 0.275 768 V C -0.717 175.296 176.094 -0.135 0.000 1.036 768 V CA -0.001 62.200 62.300 -0.166 0.000 0.889 768 V CB 0.856 32.631 31.823 -0.080 0.000 0.985 768 V HN 0.765 nan 8.190 nan 0.000 0.459 769 K N 4.725 124.993 120.400 -0.220 0.000 2.158 769 K HA 0.650 4.970 4.320 -0.000 0.000 0.243 769 K C -1.052 175.598 176.600 0.083 0.000 1.079 769 K CA -1.175 55.088 56.287 -0.040 0.000 0.920 769 K CB 1.626 34.131 32.500 0.009 0.000 1.400 769 K HN 0.525 nan 8.250 nan 0.000 0.561 770 K N 0.518 121.014 120.400 0.160 0.000 2.211 770 K HA 0.534 4.854 4.320 -0.000 0.000 0.237 770 K C -1.069 175.507 176.600 -0.040 0.000 1.002 770 K CA -0.845 55.428 56.287 -0.024 0.000 0.885 770 K CB 1.840 34.259 32.500 -0.136 0.000 1.136 770 K HN 0.136 nan 8.250 nan 0.000 0.448 771 V N 2.084 121.766 119.914 -0.386 0.000 2.483 771 V HA 0.350 4.470 4.120 -0.000 0.000 0.297 771 V C -1.420 174.341 176.094 -0.556 0.000 1.027 771 V CA -0.873 61.156 62.300 -0.451 0.000 0.855 771 V CB 0.631 32.201 31.823 -0.421 0.000 0.995 771 V HN 0.586 nan 8.190 nan 0.000 0.424 772 Y N 2.671 122.765 120.300 -0.344 0.000 2.468 772 Y HA 0.758 5.308 4.550 -0.000 0.000 0.342 772 Y C -0.081 175.646 175.900 -0.287 0.000 1.021 772 Y CA -0.800 57.144 58.100 -0.261 0.000 1.079 772 Y CB 2.399 40.745 38.460 -0.190 0.000 1.226 772 Y HN 0.381 nan 8.280 nan 0.000 0.460 773 V N 4.579 124.489 119.914 -0.008 0.000 2.638 773 V HA 0.406 4.526 4.120 -0.000 0.000 0.306 773 V C -0.348 175.754 176.094 0.012 0.000 1.052 773 V CA -0.282 61.981 62.300 -0.062 0.000 0.885 773 V CB 1.797 33.590 31.823 -0.049 0.000 0.999 773 V HN 0.996 nan 8.190 nan 0.000 0.424 774 M N 2.338 121.943 119.600 0.010 0.000 2.053 774 M HA 0.401 4.880 4.480 -0.000 0.000 0.171 774 M C -0.834 175.566 176.300 0.167 0.000 2.019 774 M CA 0.465 55.821 55.300 0.094 0.000 0.997 774 M CB 1.759 34.462 32.600 0.172 0.000 1.529 774 M HN 0.782 nan 8.290 nan 0.000 0.630 775 S N 0.222 116.118 115.700 0.326 0.000 2.769 775 S HA 0.171 4.641 4.470 -0.000 0.000 0.283 775 S C -1.439 173.406 174.600 0.408 0.000 0.936 775 S CA -0.986 57.434 58.200 0.366 0.000 0.893 775 S CB 0.610 64.022 63.200 0.353 0.000 1.125 775 S HN 0.423 nan 8.310 nan 0.000 0.464 776 E N 0.662 121.064 120.200 0.335 0.000 2.437 776 E HA 0.294 4.644 4.350 -0.000 0.000 0.263 776 E C 1.592 178.176 176.600 -0.027 0.000 1.030 776 E CA 0.340 56.805 56.400 0.108 0.000 0.934 776 E CB 0.567 30.377 29.700 0.182 0.000 0.943 776 E HN 0.794 nan 8.360 nan 0.000 0.444 777 A N 4.003 126.675 122.820 -0.246 0.000 1.978 777 A HA -0.244 4.075 4.320 -0.000 0.000 0.220 777 A C 1.902 179.347 177.584 -0.232 0.000 1.170 777 A CA 1.989 53.880 52.037 -0.243 0.000 0.636 777 A CB -0.413 18.401 19.000 -0.310 0.000 0.810 777 A HN 0.690 nan 8.150 nan 0.000 0.448 778 K N -1.521 118.681 120.400 -0.330 0.000 2.504 778 K HA -0.073 4.246 4.320 -0.000 0.000 0.195 778 K C 0.101 176.350 176.600 -0.585 0.000 1.036 778 K CA 1.059 57.065 56.287 -0.469 0.000 0.984 778 K CB -0.348 31.808 32.500 -0.574 0.000 0.788 778 K HN 0.554 nan 8.250 nan 0.000 0.488 779 Y N 1.438 121.637 120.300 -0.168 0.000 2.720 779 Y HA 0.286 4.836 4.550 -0.000 0.000 0.277 779 Y C -0.340 175.397 175.900 -0.272 0.000 1.144 779 Y CA -0.922 57.059 58.100 -0.199 0.000 1.221 779 Y CB 0.593 38.888 38.460 -0.275 0.000 1.163 779 Y HN 0.134 nan 8.280 nan 0.000 0.537 780 R N -1.682 118.674 120.500 -0.240 0.000 2.488 780 R HA 0.260 4.600 4.340 -0.000 0.000 0.215 780 R C -0.557 175.691 176.300 -0.086 0.000 1.293 780 R CA -0.035 55.710 56.100 -0.591 0.000 1.343 780 R CB -0.748 28.936 30.300 -1.026 0.000 1.425 780 R HN 0.086 nan 8.270 nan 0.000 0.788 781 M N 0.291 119.901 119.600 0.018 0.000 2.338 781 M HA 0.380 4.860 4.480 -0.000 0.000 0.276 781 M C -0.127 176.217 176.300 0.073 0.000 1.057 781 M CA 0.362 55.687 55.300 0.042 0.000 1.079 781 M CB 0.271 32.848 32.600 -0.038 0.000 1.547 781 M HN 0.280 nan 8.290 nan 0.000 0.549 782 L N -0.924 120.357 121.223 0.095 0.000 2.303 782 L HA 0.402 4.742 4.340 -0.000 0.000 0.256 782 L C -1.704 175.135 176.870 -0.051 0.000 1.034 782 L CA -1.746 53.106 54.840 0.020 0.000 0.832 782 L CB 1.385 43.453 42.059 0.014 0.000 1.403 782 L HN -0.230 nan 8.230 nan 0.000 0.419 783 P HA -0.051 nan 4.420 nan 0.000 0.221 783 P C 0.234 177.466 177.300 -0.114 0.000 1.150 783 P CA 0.958 63.743 63.100 -0.524 0.000 0.800 783 P CB 0.194 31.489 31.700 -0.676 0.000 0.787 784 D N -0.920 119.477 120.400 -0.005 0.000 2.312 784 D HA -0.096 4.544 4.640 -0.000 0.000 0.211 784 D C 1.065 177.422 176.300 0.096 0.000 0.964 784 D CA 0.714 54.747 54.000 0.055 0.000 0.877 784 D CB -0.362 40.465 40.800 0.046 0.000 0.924 784 D HN 0.160 nan 8.370 nan 0.000 0.515 785 D N 0.071 120.563 120.400 0.153 0.000 2.349 785 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 785 D C 1.895 178.432 176.300 0.396 0.000 1.029 785 D CA 0.158 54.289 54.000 0.218 0.000 0.879 785 D CB 0.256 41.178 40.800 0.203 0.000 0.906 785 D HN 0.348 nan 8.370 nan 0.000 0.528 786 I N 0.608 121.410 120.570 0.386 0.000 2.353 786 I HA -0.102 4.068 4.170 -0.000 0.000 0.248 786 I C 2.319 178.583 176.117 0.245 0.000 1.119 786 I CA 1.016 62.540 61.300 0.373 0.000 1.417 786 I CB -0.460 37.596 38.000 0.094 0.000 1.078 786 I HN -0.010 nan 8.210 nan 0.000 0.421 787 G N 0.417 109.308 108.800 0.152 0.000 2.776 787 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.209 787 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.209 787 G C 0.915 175.720 174.900 -0.157 0.000 1.145 787 G CA 0.223 45.351 45.100 0.046 0.000 0.791 787 G HN 0.318 nan 8.290 nan 0.000 0.530 788 D N -0.435 119.884 120.400 -0.135 0.000 2.347 788 D HA 0.012 4.651 4.640 -0.000 0.000 0.213 788 D C 0.116 176.066 176.300 -0.584 0.000 0.985 788 D CA -0.059 53.733 54.000 -0.347 0.000 0.879 788 D CB 0.059 40.723 40.800 -0.226 0.000 0.919 788 D HN 0.416 nan 8.370 nan 0.000 0.526 789 W N 1.017 122.136 121.300 -0.301 0.000 2.387 789 W HA 0.259 4.918 4.660 -0.000 0.000 0.310 789 W C -0.428 176.033 176.519 -0.097 0.000 1.181 789 W CA -0.682 56.581 57.345 -0.137 0.000 1.333 789 W CB 0.090 29.504 29.460 -0.077 0.000 1.286 789 W HN -0.156 nan 8.180 nan 0.000 0.455 790 Y N 3.201 123.701 120.300 0.333 0.000 2.504 790 Y HA 0.369 4.919 4.550 -0.000 0.000 0.339 790 Y C 0.531 176.608 175.900 0.294 0.000 0.974 790 Y CA -1.048 57.209 58.100 0.261 0.000 1.232 790 Y CB 0.237 38.770 38.460 0.122 0.000 1.108 790 Y HN 0.007 nan 8.280 nan 0.000 0.509 791 V N 4.292 124.477 119.914 0.452 0.000 2.924 791 V HA 0.143 4.263 4.120 -0.000 0.000 0.305 791 V C 0.348 176.602 176.094 0.267 0.000 1.073 791 V CA -0.559 61.958 62.300 0.361 0.000 1.098 791 V CB 1.021 33.063 31.823 0.366 0.000 1.000 791 V HN 0.755 nan 8.190 nan 0.000 0.484 792 R N 3.343 123.964 120.500 0.203 0.000 2.368 792 R HA 0.701 5.041 4.340 -0.000 0.000 0.302 792 R C -0.289 176.084 176.300 0.122 0.000 1.002 792 R CA -0.096 56.092 56.100 0.147 0.000 0.929 792 R CB 1.209 31.580 30.300 0.119 0.000 1.073 792 R HN 0.803 nan 8.270 nan 0.000 0.464 793 A N 2.770 125.651 122.820 0.102 0.000 2.256 793 A HA 0.591 4.911 4.320 -0.000 0.000 0.318 793 A C 0.982 178.601 177.584 0.059 0.000 1.103 793 A CA -0.260 51.826 52.037 0.081 0.000 0.860 793 A CB 0.944 19.991 19.000 0.079 0.000 1.182 793 A HN 1.017 nan 8.150 nan 0.000 0.501 794 A N 0.164 123.012 122.820 0.046 0.000 2.024 794 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 794 A C 0.990 178.593 177.584 0.031 0.000 1.164 794 A CA 1.987 54.045 52.037 0.035 0.000 0.643 794 A CB -0.737 18.279 19.000 0.027 0.000 0.806 794 A HN 0.862 nan 8.150 nan 0.000 0.451 795 D N -1.568 118.851 120.400 0.032 0.000 2.538 795 D HA 0.346 4.986 4.640 -0.000 0.000 0.234 795 D C 0.969 177.286 176.300 0.027 0.000 1.191 795 D CA 0.249 54.265 54.000 0.027 0.000 0.828 795 D CB -1.084 39.730 40.800 0.024 0.000 0.981 795 D HN 0.503 nan 8.370 nan 0.000 0.490 796 G N 0.837 109.656 108.800 0.032 0.000 2.321 796 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.287 796 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.287 796 G C -0.072 174.844 174.900 0.027 0.000 1.018 796 G CA 0.863 45.981 45.100 0.031 0.000 0.855 796 G HN 0.764 nan 8.290 nan 0.000 0.507 797 Q N -1.901 117.919 119.800 0.033 0.000 2.372 797 Q HA 0.814 5.153 4.340 -0.000 0.000 0.273 797 Q C -0.140 175.887 176.000 0.044 0.000 1.078 797 Q CA -1.316 54.502 55.803 0.025 0.000 0.806 797 Q CB 1.329 30.077 28.738 0.016 0.000 1.332 797 Q HN 0.115 nan 8.270 nan 0.000 0.435 798 M N 1.811 121.429 119.600 0.030 0.000 2.243 798 M HA 0.419 4.899 4.480 -0.000 0.000 0.341 798 M C -1.221 175.144 176.300 0.109 0.000 1.130 798 M CA 0.054 55.397 55.300 0.071 0.000 1.162 798 M CB 1.415 34.008 32.600 -0.011 0.000 1.497 798 M HN 0.617 nan 8.290 nan 0.000 0.456 799 V N 4.988 125.015 119.914 0.188 0.000 2.569 799 V HA 0.525 4.645 4.120 -0.000 0.000 0.301 799 V C -2.349 173.848 176.094 0.171 0.000 1.044 799 V CA -1.452 60.932 62.300 0.141 0.000 0.874 799 V CB 1.615 33.490 31.823 0.085 0.000 1.002 799 V HN 0.737 nan 8.190 nan 0.000 0.424 800 P HA 0.315 nan 4.420 nan 0.000 0.277 800 P C 0.612 177.747 177.300 -0.275 0.000 1.271 800 P CA -0.261 62.815 63.100 -0.040 0.000 0.795 800 P CB 1.279 32.953 31.700 -0.043 0.000 1.101 801 F N 0.182 119.960 119.950 -0.286 0.000 2.206 801 F HA -0.174 4.352 4.527 -0.000 0.000 0.298 801 F C 2.588 178.185 175.800 -0.339 0.000 1.090 801 F CA 1.687 59.520 58.000 -0.279 0.000 1.323 801 F CB -0.476 38.571 39.000 0.078 0.000 1.028 801 F HN 0.220 nan 8.300 nan 0.000 0.492 802 S N 0.446 116.123 115.700 -0.038 0.000 2.423 802 S HA -0.319 4.151 4.470 -0.000 0.000 0.238 802 S C 2.207 176.726 174.600 -0.134 0.000 1.028 802 S CA 0.914 59.089 58.200 -0.042 0.000 1.000 802 S CB -0.932 62.262 63.200 -0.010 0.000 0.797 802 S HN 0.429 nan 8.310 nan 0.000 0.487 803 A N 2.326 124.963 122.820 -0.305 0.000 1.841 803 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 803 A C 1.987 179.445 177.584 -0.210 0.000 1.199 803 A CA 1.694 53.554 52.037 -0.295 0.000 0.621 803 A CB -0.969 17.791 19.000 -0.401 0.000 0.835 803 A HN 0.720 nan 8.150 nan 0.000 0.445 804 F N -0.055 119.855 119.950 -0.066 0.000 2.749 804 F HA 0.310 4.837 4.527 -0.000 0.000 0.300 804 F C 1.178 176.928 175.800 -0.083 0.000 1.103 804 F CA 0.004 57.950 58.000 -0.090 0.000 1.342 804 F CB -0.409 38.507 39.000 -0.140 0.000 1.098 804 F HN 0.185 nan 8.300 nan 0.000 0.586 805 S N 0.598 116.421 115.700 0.205 0.000 2.681 805 S HA 0.552 5.022 4.470 -0.000 0.000 0.270 805 S C -0.029 174.619 174.600 0.080 0.000 1.209 805 S CA -0.176 58.140 58.200 0.194 0.000 0.988 805 S CB 1.616 64.989 63.200 0.288 0.000 1.006 805 S HN 0.251 nan 8.310 nan 0.000 0.558 806 S N 0.999 116.716 115.700 0.029 0.000 2.680 806 S HA 0.441 4.910 4.470 -0.000 0.000 0.262 806 S C -0.720 173.807 174.600 -0.122 0.000 1.138 806 S CA -0.590 57.592 58.200 -0.030 0.000 1.072 806 S CB 0.239 63.415 63.200 -0.040 0.000 1.097 806 S HN 1.238 nan 8.310 nan 0.000 0.468 807 S N 4.937 120.579 115.700 -0.097 0.000 2.499 807 S HA 0.768 5.238 4.470 -0.000 0.000 0.275 807 S C -0.166 174.268 174.600 -0.277 0.000 1.257 807 S CA -0.769 57.301 58.200 -0.216 0.000 1.050 807 S CB 0.184 63.446 63.200 0.103 0.000 0.937 807 S HN 0.989 nan 8.310 nan 0.000 0.490 808 R N 1.500 121.638 120.500 -0.604 0.000 2.633 808 R HA 0.349 4.689 4.340 -0.000 0.000 0.255 808 R C -1.861 174.146 176.300 -0.488 0.000 1.106 808 R CA -0.940 54.952 56.100 -0.346 0.000 0.959 808 R CB 0.120 30.313 30.300 -0.178 0.000 1.259 808 R HN 0.585 nan 8.270 nan 0.000 0.453 809 W N 1.501 122.699 121.300 -0.171 0.000 2.086 809 W HA 0.490 5.150 4.660 -0.000 0.000 0.355 809 W C 0.431 176.853 176.519 -0.162 0.000 1.313 809 W CA 0.391 57.657 57.345 -0.133 0.000 1.358 809 W CB 0.781 30.201 29.460 -0.066 0.000 1.166 809 W HN 0.665 nan 8.180 nan 0.000 0.630 810 E N 0.113 120.374 120.200 0.102 0.000 2.388 810 E HA 0.165 4.515 4.350 -0.000 0.000 0.282 810 E C -2.115 174.475 176.600 -0.016 0.000 1.026 810 E CA -0.834 55.573 56.400 0.011 0.000 0.820 810 E CB 1.062 30.749 29.700 -0.022 0.000 1.226 810 E HN 0.320 nan 8.360 nan 0.000 0.432 811 Y N 1.160 121.487 120.300 0.045 0.000 2.367 811 Y HA 0.609 5.159 4.550 -0.000 0.000 0.342 811 Y C 0.640 176.522 175.900 -0.030 0.000 0.979 811 Y CA 0.480 58.590 58.100 0.017 0.000 1.161 811 Y CB 1.766 40.222 38.460 -0.007 0.000 1.155 811 Y HN 0.606 nan 8.280 nan 0.000 0.503 812 G N 0.781 109.688 108.800 0.180 0.000 3.135 812 G HA2 0.507 4.467 3.960 -0.000 0.000 0.278 812 G HA3 0.507 4.467 3.960 -0.000 0.000 0.278 812 G C -1.342 173.602 174.900 0.073 0.000 1.302 812 G CA -0.894 44.241 45.100 0.058 0.000 0.880 812 G HN 0.453 nan 8.290 nan 0.000 0.574 813 S N -0.237 115.518 115.700 0.091 0.000 2.500 813 S HA 0.659 5.129 4.470 -0.000 0.000 0.301 813 S C -2.031 172.655 174.600 0.144 0.000 1.092 813 S CA -1.437 56.865 58.200 0.170 0.000 1.030 813 S CB 2.472 65.913 63.200 0.401 0.000 1.031 813 S HN 0.305 nan 8.310 nan 0.000 0.483 814 P HA 0.213 nan 4.420 nan 0.000 0.255 814 P C -0.108 177.248 177.300 0.094 0.000 1.248 814 P CA 0.137 63.298 63.100 0.101 0.000 0.807 814 P CB -0.038 31.718 31.700 0.094 0.000 1.150 815 R N 0.752 121.313 120.500 0.102 0.000 2.797 815 R HA 0.351 4.691 4.340 -0.000 0.000 0.274 815 R C -1.141 175.199 176.300 0.067 0.000 1.652 815 R CA -0.348 55.801 56.100 0.081 0.000 1.175 815 R CB -0.251 30.095 30.300 0.075 0.000 1.283 815 R HN -0.108 nan 8.270 nan 0.000 0.513 816 L N 3.969 125.227 121.223 0.059 0.000 2.342 816 L HA 0.332 4.672 4.340 -0.000 0.000 0.285 816 L C 0.087 176.960 176.870 0.006 0.000 1.095 816 L CA -0.113 54.736 54.840 0.014 0.000 0.843 816 L CB 0.964 43.044 42.059 0.036 0.000 1.201 816 L HN 0.533 nan 8.230 nan 0.000 0.445 817 E N 4.371 124.561 120.200 -0.017 0.000 2.283 817 E HA 0.548 4.898 4.350 -0.000 0.000 0.271 817 E C -0.687 175.913 176.600 -0.001 0.000 1.031 817 E CA -0.763 55.639 56.400 0.004 0.000 0.868 817 E CB 1.268 30.971 29.700 0.005 0.000 1.094 817 E HN 0.440 nan 8.360 nan 0.000 0.401 818 R N 2.023 122.541 120.500 0.030 0.000 2.604 818 R HA 0.312 4.652 4.340 -0.000 0.000 0.281 818 R C -1.509 174.844 176.300 0.089 0.000 1.020 818 R CA -0.920 55.203 56.100 0.039 0.000 0.899 818 R CB 1.400 31.710 30.300 0.016 0.000 1.205 818 R HN 0.561 nan 8.270 nan 0.000 0.450 819 Y N 3.122 123.395 120.300 -0.045 0.000 2.345 819 Y HA 0.203 4.753 4.550 -0.000 0.000 0.331 819 Y C -0.021 175.859 175.900 -0.033 0.000 0.959 819 Y CA -0.532 57.541 58.100 -0.044 0.000 1.204 819 Y CB 0.881 39.291 38.460 -0.083 0.000 1.135 819 Y HN 0.735 nan 8.280 nan 0.000 0.477 820 N N 4.684 123.154 118.700 -0.383 0.000 2.746 820 N HA -0.190 4.550 4.740 -0.000 0.000 0.250 820 N C 0.762 176.201 175.510 -0.118 0.000 1.055 820 N CA 1.340 54.208 53.050 -0.303 0.000 0.699 820 N CB -1.058 37.211 38.487 -0.363 0.000 0.919 820 N HN 1.313 nan 8.380 nan 0.000 0.548 821 G N -1.385 107.365 108.800 -0.083 0.000 2.179 821 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 821 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 821 G C -0.008 174.881 174.900 -0.020 0.000 0.977 821 G CA 0.811 45.885 45.100 -0.044 0.000 0.641 821 G HN 0.501 nan 8.290 nan 0.000 0.533 822 L N -0.558 120.661 121.223 -0.007 0.000 2.371 822 L HA 0.676 5.016 4.340 -0.000 0.000 0.262 822 L C -2.351 174.528 176.870 0.016 0.000 1.006 822 L CA -2.895 51.949 54.840 0.007 0.000 0.818 822 L CB 2.022 44.088 42.059 0.012 0.000 1.354 822 L HN -0.192 nan 8.230 nan 0.000 0.415 823 P HA 0.127 nan 4.420 nan 0.000 0.268 823 P C -0.586 176.703 177.300 -0.018 0.000 1.208 823 P CA 0.073 63.164 63.100 -0.014 0.000 0.777 823 P CB 1.427 33.108 31.700 -0.031 0.000 0.875 824 S N 0.689 116.366 115.700 -0.038 0.000 2.611 824 S HA 0.716 5.186 4.470 -0.000 0.000 0.268 824 S C -1.538 173.014 174.600 -0.080 0.000 1.156 824 S CA -0.676 57.493 58.200 -0.053 0.000 0.817 824 S CB 0.715 63.907 63.200 -0.013 0.000 1.122 824 S HN 0.336 nan 8.310 nan 0.000 0.466 825 M N 2.086 121.631 119.600 -0.092 0.000 2.386 825 M HA 0.419 4.898 4.480 -0.000 0.000 0.293 825 M C -0.847 175.402 176.300 -0.085 0.000 1.120 825 M CA -0.527 54.727 55.300 -0.077 0.000 0.909 825 M CB 2.189 34.752 32.600 -0.062 0.000 1.661 825 M HN 0.704 nan 8.290 nan 0.000 0.452 826 E N 2.838 123.001 120.200 -0.062 0.000 2.343 826 E HA 0.382 4.732 4.350 -0.000 0.000 0.269 826 E C -1.183 175.396 176.600 -0.034 0.000 1.047 826 E CA -0.370 55.988 56.400 -0.069 0.000 0.874 826 E CB 0.927 30.599 29.700 -0.047 0.000 1.033 826 E HN 0.494 nan 8.360 nan 0.000 0.409 827 I N 6.222 126.781 120.570 -0.018 0.000 2.595 827 I HA 0.143 4.313 4.170 -0.000 0.000 0.275 827 I C -0.598 175.520 176.117 0.001 0.000 1.092 827 I CA -0.381 60.945 61.300 0.042 0.000 1.145 827 I CB 0.581 38.691 38.000 0.184 0.000 1.276 827 I HN 0.582 nan 8.210 nan 0.000 0.497 828 L N 4.992 126.165 121.223 -0.083 0.000 2.401 828 L HA 0.337 4.677 4.340 -0.000 0.000 0.283 828 L C 0.968 177.640 176.870 -0.329 0.000 1.151 828 L CA 0.048 54.769 54.840 -0.199 0.000 0.942 828 L CB 0.435 42.403 42.059 -0.152 0.000 1.283 828 L HN 0.560 nan 8.230 nan 0.000 0.442 829 G N 2.912 111.284 108.800 -0.713 0.000 2.552 829 G HA2 0.609 4.569 3.960 -0.000 0.000 0.318 829 G HA3 0.609 4.569 3.960 -0.000 0.000 0.318 829 G C -0.969 173.263 174.900 -1.113 0.000 1.240 829 G CA -0.347 44.232 45.100 -0.868 0.000 1.002 829 G HN 0.517 nan 8.290 nan 0.000 0.493 830 Q N -0.826 118.671 119.800 -0.504 0.000 2.305 830 Q HA 0.552 4.891 4.340 -0.000 0.000 0.271 830 Q C -0.180 175.873 176.000 0.088 0.000 1.046 830 Q CA -0.798 54.876 55.803 -0.215 0.000 0.798 830 Q CB 2.517 31.168 28.738 -0.145 0.000 1.286 830 Q HN 0.842 nan 8.270 nan 0.000 0.435 831 A N 1.541 124.472 122.820 0.184 0.000 2.507 831 A HA 0.504 4.824 4.320 -0.000 0.000 0.235 831 A C 0.221 177.852 177.584 0.078 0.000 1.070 831 A CA 0.383 52.526 52.037 0.177 0.000 0.768 831 A CB 0.079 19.155 19.000 0.128 0.000 1.011 831 A HN 0.796 nan 8.150 nan 0.000 0.502 832 A N 2.494 125.347 122.820 0.055 0.000 2.429 832 A HA 0.468 4.787 4.320 -0.000 0.000 0.242 832 A C -0.889 176.702 177.584 0.012 0.000 1.088 832 A CA -0.390 51.660 52.037 0.023 0.000 0.784 832 A CB -0.338 18.667 19.000 0.009 0.000 1.038 832 A HN 0.684 nan 8.150 nan 0.000 0.501 833 P HA -0.008 nan 4.420 nan 0.000 0.229 833 P C 1.224 178.521 177.300 -0.005 0.000 1.160 833 P CA 1.594 64.692 63.100 -0.003 0.000 0.777 833 P CB 0.124 31.820 31.700 -0.006 0.000 0.814 834 G N 0.122 108.920 108.800 -0.003 0.000 2.615 834 G HA2 0.019 3.978 3.960 -0.000 0.000 0.213 834 G HA3 0.019 3.978 3.960 -0.000 0.000 0.213 834 G C 0.837 175.734 174.900 -0.004 0.000 1.215 834 G CA 0.049 45.147 45.100 -0.004 0.000 0.843 834 G HN 0.138 nan 8.290 nan 0.000 0.571 835 K N 0.224 120.622 120.400 -0.002 0.000 2.143 835 K HA 0.373 4.693 4.320 -0.000 0.000 0.239 835 K C -0.319 176.281 176.600 0.000 0.000 1.048 835 K CA 0.587 56.872 56.287 -0.004 0.000 0.867 835 K CB 0.744 33.239 32.500 -0.008 0.000 1.088 835 K HN 0.338 nan 8.250 nan 0.000 0.510 836 S N -0.123 115.575 115.700 -0.003 0.000 2.446 836 S HA 0.196 4.665 4.470 -0.000 0.000 0.230 836 S C 0.025 174.621 174.600 -0.008 0.000 1.051 836 S CA -0.018 58.185 58.200 0.004 0.000 1.113 836 S CB 0.706 63.908 63.200 0.003 0.000 1.184 836 S HN 0.777 nan 8.310 nan 0.000 0.435 837 T N 3.761 118.312 114.554 -0.004 0.000 13.579 837 T HA -0.301 4.049 4.350 -0.000 0.000 0.419 837 T C 1.747 176.371 174.700 -0.127 0.000 1.441 837 T CA 2.324 64.398 62.100 -0.044 0.000 2.351 837 T CB -1.892 66.960 68.868 -0.027 0.000 2.790 837 T HN 1.551 nan 8.240 nan 0.000 0.520 838 G N 1.370 110.109 108.800 -0.103 0.000 2.507 838 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.221 838 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.221 838 G C 1.234 176.071 174.900 -0.105 0.000 1.119 838 G CA 1.787 46.819 45.100 -0.112 0.000 0.751 838 G HN 0.794 nan 8.290 nan 0.000 0.574 839 E N 0.311 120.465 120.200 -0.077 0.000 2.051 839 E HA 0.096 4.446 4.350 -0.000 0.000 0.189 839 E C 2.991 179.534 176.600 -0.094 0.000 0.979 839 E CA 0.581 56.941 56.400 -0.066 0.000 0.803 839 E CB -0.148 29.529 29.700 -0.038 0.000 0.761 839 E HN 0.397 nan 8.360 nan 0.000 0.451 840 A N 1.393 124.149 122.820 -0.107 0.000 1.898 840 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 840 A C 2.198 179.614 177.584 -0.280 0.000 1.181 840 A CA 1.312 53.260 52.037 -0.149 0.000 0.620 840 A CB -0.476 18.479 19.000 -0.076 0.000 0.819 840 A HN 0.111 nan 8.150 nan 0.000 0.442 841 M N -0.404 119.001 119.600 -0.325 0.000 2.159 841 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 841 M C 2.023 178.231 176.300 -0.154 0.000 1.063 841 M CA 1.963 57.060 55.300 -0.337 0.000 1.110 841 M CB -0.401 31.799 32.600 -0.665 0.000 1.374 841 M HN 0.708 nan 8.290 nan 0.000 0.411 842 E N 0.581 120.689 120.200 -0.153 0.000 2.358 842 E HA -0.080 4.269 4.350 -0.000 0.000 0.195 842 E C 1.155 177.708 176.600 -0.079 0.000 1.010 842 E CA 0.917 57.269 56.400 -0.080 0.000 0.856 842 E CB -0.264 29.395 29.700 -0.068 0.000 0.795 842 E HN 0.447 nan 8.360 nan 0.000 0.504 843 L N 0.271 121.428 121.223 -0.110 0.000 2.791 843 L HA 0.320 4.660 4.340 -0.000 0.000 0.239 843 L C 1.370 178.135 176.870 -0.174 0.000 1.203 843 L CA 0.051 54.832 54.840 -0.099 0.000 1.002 843 L CB 0.184 42.206 42.059 -0.062 0.000 1.295 843 L HN 0.253 nan 8.230 nan 0.000 0.504 844 M N -1.976 117.472 119.600 -0.253 0.000 2.393 844 M HA 0.109 4.589 4.480 -0.000 0.000 0.270 844 M C 1.469 177.461 176.300 -0.513 0.000 1.127 844 M CA 0.511 55.544 55.300 -0.446 0.000 1.104 844 M CB 0.557 32.760 32.600 -0.661 0.000 1.523 844 M HN 0.221 nan 8.290 nan 0.000 0.546 845 E N 1.008 121.028 120.200 -0.300 0.000 2.152 845 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 845 E C 1.632 178.077 176.600 -0.259 0.000 0.983 845 E CA 1.143 57.338 56.400 -0.341 0.000 0.818 845 E CB 0.075 29.760 29.700 -0.026 0.000 0.758 845 E HN 0.512 nan 8.360 nan 0.000 0.467 846 Q N 0.341 120.052 119.800 -0.148 0.000 2.435 846 Q HA -0.009 4.331 4.340 -0.000 0.000 0.207 846 Q C 1.665 177.608 176.000 -0.095 0.000 0.956 846 Q CA 0.809 56.561 55.803 -0.085 0.000 0.917 846 Q CB -0.303 28.409 28.738 -0.043 0.000 0.997 846 Q HN 0.257 nan 8.270 nan 0.000 0.497 847 L N -0.483 120.646 121.223 -0.157 0.000 2.375 847 L HA 0.261 4.600 4.340 -0.000 0.000 0.215 847 L C 1.934 178.710 176.870 -0.157 0.000 1.108 847 L CA 0.708 55.466 54.840 -0.136 0.000 0.830 847 L CB -0.112 41.844 42.059 -0.172 0.000 0.959 847 L HN 0.380 nan 8.230 nan 0.000 0.457 848 A N -0.749 121.930 122.820 -0.234 0.000 2.095 848 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 848 A C 2.325 179.882 177.584 -0.046 0.000 1.162 848 A CA 0.929 52.869 52.037 -0.161 0.000 0.753 848 A CB -0.161 18.684 19.000 -0.258 0.000 0.840 848 A HN 0.398 nan 8.150 nan 0.000 0.468 849 S N -0.268 115.404 115.700 -0.048 0.000 2.496 849 S HA 0.034 4.504 4.470 -0.000 0.000 0.224 849 S C 1.501 176.113 174.600 0.021 0.000 0.996 849 S CA 0.881 59.106 58.200 0.042 0.000 0.927 849 S CB -0.195 63.044 63.200 0.065 0.000 0.774 849 S HN 0.499 nan 8.310 nan 0.000 0.524 850 K N 0.455 120.850 120.400 -0.008 0.000 2.459 850 K HA 0.293 4.613 4.320 -0.000 0.000 0.193 850 K C 0.259 176.859 176.600 0.000 0.000 1.030 850 K CA -0.047 56.237 56.287 -0.006 0.000 1.026 850 K CB -0.156 32.334 32.500 -0.017 0.000 0.809 850 K HN 0.418 nan 8.250 nan 0.000 0.504 851 L N 1.292 122.518 121.223 0.005 0.000 2.475 851 L HA 0.154 4.493 4.340 -0.000 0.000 0.253 851 L C -1.796 175.086 176.870 0.021 0.000 1.198 851 L CA -1.988 52.859 54.840 0.012 0.000 0.814 851 L CB -0.109 41.961 42.059 0.019 0.000 1.134 851 L HN -0.054 nan 8.230 nan 0.000 0.478 852 P HA 0.118 nan 4.420 nan 0.000 0.282 852 P C -0.741 176.574 177.300 0.025 0.000 1.286 852 P CA -0.478 62.634 63.100 0.020 0.000 0.777 852 P CB 0.199 31.909 31.700 0.016 0.000 1.184 853 T N -0.440 114.127 114.554 0.022 0.000 2.918 853 T HA 0.404 4.754 4.350 -0.000 0.000 0.302 853 T C 1.035 175.749 174.700 0.023 0.000 1.045 853 T CA 0.880 62.993 62.100 0.023 0.000 1.114 853 T CB -0.124 68.755 68.868 0.018 0.000 0.965 853 T HN 0.832 nan 8.240 nan 0.000 0.540 854 G N 0.976 109.790 108.800 0.023 0.000 2.176 854 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.252 854 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.252 854 G C -0.019 174.894 174.900 0.022 0.000 1.024 854 G CA -0.055 45.056 45.100 0.020 0.000 0.755 854 G HN 0.816 nan 8.290 nan 0.000 0.507 855 V N 0.335 120.269 119.914 0.032 0.000 2.443 855 V HA 0.688 4.808 4.120 -0.000 0.000 0.272 855 V C 0.997 177.132 176.094 0.068 0.000 1.002 855 V CA -0.187 62.136 62.300 0.039 0.000 0.840 855 V CB 0.846 32.692 31.823 0.039 0.000 1.042 855 V HN 0.718 nan 8.190 nan 0.000 0.446 856 G N 2.818 111.648 108.800 0.050 0.000 2.509 856 G HA2 0.705 4.665 3.960 -0.000 0.000 0.269 856 G HA3 0.705 4.665 3.960 -0.000 0.000 0.269 856 G C -0.854 174.117 174.900 0.118 0.000 1.416 856 G CA -0.305 44.837 45.100 0.070 0.000 1.052 856 G HN 0.866 nan 8.290 nan 0.000 0.542 857 Y N -2.927 117.296 120.300 -0.129 0.000 2.656 857 Y HA 0.724 5.274 4.550 -0.000 0.000 0.334 857 Y C -1.570 174.114 175.900 -0.360 0.000 1.179 857 Y CA -1.359 56.541 58.100 -0.333 0.000 1.050 857 Y CB 1.838 40.125 38.460 -0.289 0.000 1.308 857 Y HN 0.606 nan 8.280 nan 0.000 0.456 858 D N 0.597 120.663 120.400 -0.556 0.000 2.706 858 D HA 0.146 4.785 4.640 -0.000 0.000 0.227 858 D C -2.351 173.571 176.300 -0.631 0.000 1.233 858 D CA -0.331 53.397 54.000 -0.454 0.000 0.768 858 D CB 1.507 42.128 40.800 -0.299 0.000 1.490 858 D HN 0.681 nan 8.370 nan 0.000 0.458 859 W N 2.375 123.515 121.300 -0.266 0.000 2.311 859 W HA 0.337 4.996 4.660 -0.000 0.000 0.317 859 W C 0.351 176.701 176.519 -0.281 0.000 1.065 859 W CA -0.271 56.937 57.345 -0.229 0.000 1.364 859 W CB 1.278 30.694 29.460 -0.073 0.000 1.233 859 W HN -0.008 nan 8.180 nan 0.000 0.409 860 T N 2.141 116.548 114.554 -0.245 0.000 2.928 860 T HA 0.866 5.216 4.350 -0.000 0.000 0.284 860 T C 0.366 175.018 174.700 -0.081 0.000 1.008 860 T CA -0.482 61.442 62.100 -0.294 0.000 1.057 860 T CB 1.754 70.395 68.868 -0.378 0.000 1.018 860 T HN 0.602 nan 8.240 nan 0.000 0.493 864 Y N -0.695 119.620 120.300 0.025 0.000 1.958 864 Y HA 0.640 5.190 4.550 -0.000 0.000 0.065 864 Y C -0.568 175.348 175.900 0.026 0.000 1.360 864 Y CA -0.963 57.143 58.100 0.010 0.000 1.660 864 Y CB 0.113 38.547 38.460 -0.044 0.000 1.362 864 Y HN 0.356 nan 8.280 nan 0.000 0.182 865 Q N 1.572 121.295 119.800 -0.129 0.000 2.169 865 Q HA 0.168 4.508 4.340 -0.000 0.000 0.217 865 Q C -1.762 173.879 176.000 -0.597 0.000 0.712 865 Q CA 0.562 56.218 55.803 -0.246 0.000 1.001 865 Q CB 0.541 29.261 28.738 -0.030 0.000 1.361 865 Q HN 0.603 nan 8.270 nan 0.000 0.358 866 E N -0.537 118.808 120.200 -1.426 0.000 7.514 866 E HA -0.118 4.232 4.350 -0.000 0.000 0.281 866 E C -1.183 175.093 176.600 -0.540 0.000 0.789 866 E CA 0.018 55.855 56.400 -0.939 0.000 1.498 866 E CB -0.299 29.150 29.700 -0.419 0.000 0.911 866 E HN 0.216 nan 8.360 nan 0.000 0.262 867 R N 2.326 122.595 120.500 -0.385 0.000 1.177 867 R HA 0.542 4.882 4.340 -0.000 0.000 0.084 867 R C 1.606 177.851 176.300 -0.092 0.000 1.117 867 R CA 0.790 56.760 56.100 -0.216 0.000 2.033 867 R CB -0.228 30.019 30.300 -0.089 0.000 0.945 867 R HN 0.627 nan 8.270 nan 0.000 0.717 868 L N -3.021 118.202 121.223 -0.001 0.000 2.511 868 L HA 0.305 4.645 4.340 -0.000 0.000 0.173 868 L C 1.849 178.865 176.870 0.243 0.000 1.160 868 L CA -0.084 54.859 54.840 0.172 0.000 0.964 868 L CB -0.464 41.639 42.059 0.073 0.000 1.892 868 L HN 0.242 nan 8.230 nan 0.000 0.497 869 S N 0.433 116.249 115.700 0.193 0.000 2.528 869 S HA 0.251 4.721 4.470 -0.000 0.000 0.219 869 S C 1.255 175.927 174.600 0.120 0.000 0.985 869 S CA 0.479 58.783 58.200 0.173 0.000 0.914 869 S CB -0.394 62.899 63.200 0.154 0.000 0.776 869 S HN 0.441 nan 8.310 nan 0.000 0.526 870 G N 1.819 110.671 108.800 0.086 0.000 2.421 870 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.238 870 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.238 870 G C 0.545 175.480 174.900 0.059 0.000 1.544 870 G CA 0.251 45.391 45.100 0.065 0.000 1.044 870 G HN 0.602 nan 8.290 nan 0.000 0.537 871 N N -0.312 118.404 118.700 0.026 0.000 2.520 871 N HA -0.038 4.702 4.740 -0.000 0.000 0.185 871 N C 1.903 177.422 175.510 0.016 0.000 1.068 871 N CA 0.886 53.947 53.050 0.019 0.000 0.911 871 N CB 0.077 38.561 38.487 -0.005 0.000 0.961 871 N HN 0.625 nan 8.380 nan 0.000 0.446 872 Q N 1.282 121.091 119.800 0.015 0.000 2.008 872 Q HA -0.027 4.313 4.340 -0.000 0.000 0.196 872 Q C 2.176 178.190 176.000 0.022 0.000 0.973 872 Q CA 1.292 57.105 55.803 0.017 0.000 0.826 872 Q CB -0.199 28.561 28.738 0.037 0.000 0.894 872 Q HN 0.313 nan 8.270 nan 0.000 0.439 873 A N 1.479 124.327 122.820 0.047 0.000 1.894 873 A HA -0.230 4.089 4.320 -0.000 0.000 0.220 873 A C -0.554 177.112 177.584 0.137 0.000 1.237 873 A CA 1.959 54.019 52.037 0.037 0.000 0.660 873 A CB -2.079 17.034 19.000 0.189 0.000 0.835 873 A HN 0.455 nan 8.150 nan 0.000 0.461 874 P HA -0.240 nan 4.420 nan 0.000 0.211 874 P C 1.720 179.084 177.300 0.108 0.000 0.906 874 P CA 2.095 65.293 63.100 0.164 0.000 1.017 874 P CB -0.527 31.233 31.700 0.099 0.000 0.717 875 S N -1.114 114.618 115.700 0.054 0.000 2.465 875 S HA -0.263 4.206 4.470 -0.000 0.000 0.263 875 S C 1.796 176.409 174.600 0.020 0.000 1.135 875 S CA 1.681 59.899 58.200 0.031 0.000 1.118 875 S CB -1.346 61.863 63.200 0.014 0.000 0.994 875 S HN 0.078 nan 8.310 nan 0.000 0.455 876 L N -0.997 120.206 121.223 -0.032 0.000 1.948 876 L HA -0.141 4.198 4.340 -0.000 0.000 0.212 876 L C 2.215 179.018 176.870 -0.111 0.000 1.074 876 L CA 1.907 56.672 54.840 -0.125 0.000 0.753 876 L CB -1.006 40.864 42.059 -0.315 0.000 0.888 876 L HN 0.338 nan 8.230 nan 0.000 0.432 877 Y N 0.291 120.572 120.300 -0.032 0.000 2.081 877 Y HA -0.356 4.194 4.550 -0.000 0.000 0.280 877 Y C 2.763 178.654 175.900 -0.015 0.000 1.163 877 Y CA 1.210 59.294 58.100 -0.027 0.000 1.135 877 Y CB -0.756 37.685 38.460 -0.031 0.000 0.970 877 Y HN 0.229 nan 8.280 nan 0.000 0.498 878 A N 0.464 123.377 122.820 0.156 0.000 1.882 878 A HA -0.317 4.003 4.320 -0.000 0.000 0.220 878 A C 2.087 179.705 177.584 0.057 0.000 1.253 878 A CA 2.727 54.811 52.037 0.078 0.000 0.664 878 A CB -1.196 17.837 19.000 0.054 0.000 0.838 878 A HN 0.425 nan 8.150 nan 0.000 0.460 879 I N -0.578 120.024 120.570 0.053 0.000 2.252 879 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 879 I C 2.676 178.824 176.117 0.051 0.000 1.102 879 I CA 1.671 63.002 61.300 0.052 0.000 1.385 879 I CB -0.601 37.441 38.000 0.070 0.000 1.064 879 I HN 0.256 nan 8.210 nan 0.000 0.414 880 S N 0.118 115.845 115.700 0.046 0.000 2.413 880 S HA -0.192 4.278 4.470 -0.000 0.000 0.237 880 S C 1.969 176.608 174.600 0.065 0.000 1.044 880 S CA 1.292 59.521 58.200 0.048 0.000 1.024 880 S CB -0.315 62.919 63.200 0.055 0.000 0.829 880 S HN 0.329 nan 8.310 nan 0.000 0.475 881 L N 0.693 121.958 121.223 0.071 0.000 2.022 881 L HA -0.018 4.322 4.340 -0.000 0.000 0.204 881 L C 2.098 179.010 176.870 0.071 0.000 1.076 881 L CA 1.229 56.108 54.840 0.065 0.000 0.749 881 L CB -0.768 41.316 42.059 0.042 0.000 0.903 881 L HN 0.338 nan 8.230 nan 0.000 0.439 882 I N -0.743 119.854 120.570 0.043 0.000 2.502 882 I HA -0.249 3.921 4.170 -0.000 0.000 0.258 882 I C 2.214 178.386 176.117 0.091 0.000 1.172 882 I CA 0.832 62.158 61.300 0.042 0.000 1.430 882 I CB -0.673 37.335 38.000 0.014 0.000 1.086 882 I HN 0.075 nan 8.210 nan 0.000 0.440 883 V N -0.153 119.809 119.914 0.081 0.000 2.436 883 V HA -0.089 4.031 4.120 -0.000 0.000 0.240 883 V C 2.405 178.543 176.094 0.073 0.000 1.040 883 V CA 0.889 63.234 62.300 0.075 0.000 1.052 883 V CB -0.048 31.807 31.823 0.054 0.000 0.707 883 V HN 0.204 nan 8.190 nan 0.000 0.469 884 V N 0.115 120.067 119.914 0.064 0.000 2.278 884 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 884 V C 2.240 178.359 176.094 0.041 0.000 1.062 884 V CA 3.013 65.336 62.300 0.039 0.000 1.038 884 V CB -0.535 31.308 31.823 0.034 0.000 0.646 884 V HN 0.643 nan 8.190 nan 0.000 0.447 885 F N -0.754 119.158 119.950 -0.063 0.000 2.146 885 F HA -0.153 4.373 4.527 -0.000 0.000 0.298 885 F C 2.091 177.839 175.800 -0.087 0.000 1.096 885 F CA 1.593 59.529 58.000 -0.107 0.000 1.275 885 F CB -0.159 38.770 39.000 -0.118 0.000 1.008 885 F HN 0.010 nan 8.300 nan 0.000 0.480 886 L N 0.198 121.490 121.223 0.114 0.000 1.943 886 L HA -0.313 4.027 4.340 -0.000 0.000 0.215 886 L C 2.703 179.547 176.870 -0.043 0.000 1.074 886 L CA 2.212 57.075 54.840 0.038 0.000 0.759 886 L CB -1.672 40.452 42.059 0.107 0.000 0.888 886 L HN 0.317 nan 8.230 nan 0.000 0.433 887 C N -0.037 119.261 119.300 -0.002 0.000 2.398 887 C HA -0.183 4.277 4.460 -0.000 0.000 0.282 887 C C 1.930 176.933 174.990 0.022 0.000 1.275 887 C CA 0.127 59.151 59.018 0.011 0.000 1.797 887 C CB -1.241 26.509 27.740 0.016 0.000 1.991 887 C HN 0.298 nan 8.230 nan 0.000 0.505 888 L N 0.682 121.853 121.223 -0.087 0.000 2.480 888 L HA 0.374 4.714 4.340 -0.000 0.000 0.243 888 L C 0.925 177.674 176.870 -0.202 0.000 1.315 888 L CA 0.508 55.245 54.840 -0.171 0.000 1.231 888 L CB -0.465 41.345 42.059 -0.416 0.000 1.444 888 L HN 0.394 nan 8.230 nan 0.000 0.409 889 A N 0.597 123.453 122.820 0.059 0.000 2.510 889 A HA 0.095 4.415 4.320 -0.000 0.000 0.189 889 A C 1.616 179.237 177.584 0.062 0.000 2.148 889 A CA 0.459 52.523 52.037 0.045 0.000 1.512 889 A CB -0.722 18.280 19.000 0.004 0.000 1.217 889 A HN 0.389 nan 8.150 nan 0.000 0.371 890 A N -0.554 122.296 122.820 0.050 0.000 2.172 890 A HA 0.384 4.704 4.320 -0.000 0.000 0.216 890 A C 1.200 178.769 177.584 -0.025 0.000 1.154 890 A CA 1.719 53.768 52.037 0.020 0.000 0.701 890 A CB -0.248 18.765 19.000 0.022 0.000 0.789 890 A HN 0.653 nan 8.150 nan 0.000 0.465 891 L N -2.992 118.212 121.223 -0.033 0.000 3.298 891 L HA 0.325 4.665 4.340 -0.000 0.000 0.296 891 L C 0.378 176.884 176.870 -0.605 0.000 1.237 891 L CA 0.593 55.251 54.840 -0.304 0.000 1.038 891 L CB -1.037 40.776 42.059 -0.410 0.000 1.423 891 L HN 0.502 nan 8.230 nan 0.000 0.605 892 Y N 0.220 120.458 120.300 -0.104 0.000 3.147 892 Y HA 0.193 4.743 4.550 -0.000 0.000 0.219 892 Y C 0.135 175.953 175.900 -0.137 0.000 1.021 892 Y CA -0.753 57.275 58.100 -0.120 0.000 1.440 892 Y CB 0.475 38.852 38.460 -0.137 0.000 1.472 892 Y HN 0.063 nan 8.280 nan 0.000 0.408 893 E N 0.918 121.125 120.200 0.011 0.000 7.586 893 E HA -0.102 4.248 4.350 -0.000 0.000 0.459 893 E C -0.519 175.965 176.600 -0.194 0.000 0.356 893 E CA 0.637 56.948 56.400 -0.148 0.000 0.644 893 E CB -1.052 28.546 29.700 -0.169 0.000 0.967 893 E HN 0.447 nan 8.360 nan 0.000 0.271 894 S N 0.765 116.238 115.700 -0.379 0.000 4.390 894 S HA 0.426 4.896 4.470 -0.000 0.000 0.188 894 S C -1.024 173.242 174.600 -0.557 0.000 1.268 894 S CA -0.830 57.188 58.200 -0.303 0.000 1.105 894 S CB 0.289 63.436 63.200 -0.088 0.000 2.050 894 S HN 0.518 nan 8.310 nan 0.000 0.689 895 W N 2.251 123.562 121.300 0.017 0.000 2.469 895 W HA 0.691 5.351 4.660 -0.000 0.000 0.320 895 W C 0.928 177.485 176.519 0.063 0.000 1.086 895 W CA 0.264 57.612 57.345 0.004 0.000 1.211 895 W CB 1.598 31.160 29.460 0.170 0.000 1.298 895 W HN 0.981 nan 8.180 nan 0.000 0.525 896 S N -0.382 115.425 115.700 0.178 0.000 2.455 896 S HA -0.157 4.313 4.470 -0.000 0.000 0.110 896 S C 0.934 175.551 174.600 0.028 0.000 0.603 896 S CA -0.083 58.238 58.200 0.201 0.000 1.510 896 S CB -0.630 62.637 63.200 0.112 0.000 0.940 896 S HN 0.434 nan 8.310 nan 0.000 0.267 897 I N 3.406 123.925 120.570 -0.085 0.000 2.151 897 I HA -0.068 4.102 4.170 -0.000 0.000 0.243 897 I C -0.920 175.036 176.117 -0.269 0.000 1.080 897 I CA 1.922 63.123 61.300 -0.166 0.000 1.339 897 I CB -1.128 36.761 38.000 -0.186 0.000 1.039 897 I HN 0.340 nan 8.210 nan 0.000 0.409 898 P HA -0.139 nan 4.420 nan 0.000 0.215 898 P C 1.657 178.870 177.300 -0.146 0.000 1.157 898 P CA 1.542 64.403 63.100 -0.399 0.000 0.859 898 P CB -0.177 31.114 31.700 -0.682 0.000 0.786 899 F N 0.401 120.405 119.950 0.090 0.000 2.373 899 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 899 F C 2.377 178.189 175.800 0.020 0.000 1.080 899 F CA 0.956 59.003 58.000 0.078 0.000 1.417 899 F CB -0.923 38.132 39.000 0.092 0.000 1.070 899 F HN 0.025 nan 8.300 nan 0.000 0.546 900 S N -0.164 115.611 115.700 0.125 0.000 2.335 900 S HA -0.131 4.339 4.470 -0.000 0.000 0.217 900 S C 1.936 176.546 174.600 0.017 0.000 1.032 900 S CA 1.048 59.281 58.200 0.053 0.000 0.985 900 S CB -1.080 62.127 63.200 0.012 0.000 0.896 900 S HN 0.152 nan 8.310 nan 0.000 0.445 901 V N 1.657 121.547 119.914 -0.040 0.000 2.594 901 V HA 0.003 4.122 4.120 -0.000 0.000 0.253 901 V C 2.355 178.454 176.094 0.008 0.000 1.069 901 V CA 1.617 63.886 62.300 -0.052 0.000 1.082 901 V CB -0.656 31.087 31.823 -0.134 0.000 0.680 901 V HN 0.525 nan 8.190 nan 0.000 0.469 902 M N 0.037 119.679 119.600 0.069 0.000 2.563 902 M HA 0.157 4.637 4.480 -0.000 0.000 0.231 902 M C 0.572 176.949 176.300 0.128 0.000 1.136 902 M CA 0.919 56.292 55.300 0.122 0.000 1.026 902 M CB -0.016 32.725 32.600 0.236 0.000 1.597 902 M HN 0.440 nan 8.290 nan 0.000 0.495 903 L N -3.355 117.939 121.223 0.117 0.000 3.431 903 L HA 0.287 4.627 4.340 -0.000 0.000 0.316 903 L C 0.756 177.723 176.870 0.162 0.000 1.305 903 L CA -0.399 54.537 54.840 0.161 0.000 0.995 903 L CB -0.619 41.564 42.059 0.207 0.000 1.411 903 L HN -0.230 nan 8.230 nan 0.000 0.610 904 V N -1.978 117.987 119.914 0.085 0.000 3.052 904 V HA -0.059 4.061 4.120 -0.000 0.000 0.254 904 V C 2.462 178.581 176.094 0.041 0.000 1.100 904 V CA 1.020 63.357 62.300 0.062 0.000 1.112 904 V CB -0.157 31.673 31.823 0.012 0.000 0.738 904 V HN 0.405 nan 8.190 nan 0.000 0.469 905 V N 0.324 120.257 119.914 0.031 0.000 2.233 905 V HA -0.270 3.849 4.120 -0.000 0.000 0.256 905 V C 0.269 176.355 176.094 -0.013 0.000 1.069 905 V CA 2.740 65.041 62.300 0.001 0.000 1.054 905 V CB -2.722 29.095 31.823 -0.009 0.000 0.664 905 V HN 0.524 nan 8.190 nan 0.000 0.453 906 P HA 0.035 nan 4.420 nan 0.000 0.229 906 P C 1.695 178.979 177.300 -0.026 0.000 1.160 906 P CA 0.634 63.705 63.100 -0.048 0.000 0.777 906 P CB -0.078 31.561 31.700 -0.103 0.000 0.814 907 L N -0.042 121.191 121.223 0.017 0.000 1.961 907 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 907 L C 2.650 179.525 176.870 0.009 0.000 1.072 907 L CA 2.522 57.378 54.840 0.027 0.000 0.749 907 L CB -2.014 40.081 42.059 0.060 0.000 0.889 907 L HN 0.014 nan 8.230 nan 0.000 0.432 908 G N -1.710 107.091 108.800 0.002 0.000 2.509 908 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.218 908 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.218 908 G C 1.512 176.415 174.900 0.005 0.000 1.124 908 G CA 0.824 45.920 45.100 -0.006 0.000 0.776 908 G HN 0.249 nan 8.290 nan 0.000 0.547 909 V N 0.600 120.515 119.914 0.001 0.000 2.379 909 V HA -0.022 4.098 4.120 -0.000 0.000 0.243 909 V C 2.476 178.604 176.094 0.058 0.000 1.035 909 V CA 1.059 63.369 62.300 0.017 0.000 1.035 909 V CB -0.185 31.625 31.823 -0.022 0.000 0.673 909 V HN 0.352 nan 8.190 nan 0.000 0.457 910 I N 1.482 122.069 120.570 0.028 0.000 2.335 910 I HA -0.164 4.006 4.170 -0.000 0.000 0.251 910 I C 2.149 178.298 176.117 0.054 0.000 1.129 910 I CA 1.849 63.172 61.300 0.038 0.000 1.402 910 I CB -0.724 37.273 38.000 -0.004 0.000 1.069 910 I HN 0.230 nan 8.210 nan 0.000 0.424 911 G N -0.375 108.452 108.800 0.044 0.000 2.394 911 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 911 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 911 G C 1.766 176.728 174.900 0.104 0.000 1.176 911 G CA 0.620 45.749 45.100 0.048 0.000 0.786 911 G HN 0.572 nan 8.290 nan 0.000 0.533 912 A N 0.798 123.703 122.820 0.141 0.000 1.892 912 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 912 A C 2.447 180.284 177.584 0.423 0.000 1.188 912 A CA 1.602 53.795 52.037 0.260 0.000 0.631 912 A CB -0.531 18.575 19.000 0.177 0.000 0.822 912 A HN 0.348 nan 8.150 nan 0.000 0.447 913 L N -1.248 120.200 121.223 0.375 0.000 2.046 913 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 913 L C 2.544 179.503 176.870 0.149 0.000 1.077 913 L CA 1.101 56.132 54.840 0.320 0.000 0.747 913 L CB -0.566 41.660 42.059 0.278 0.000 0.896 913 L HN 0.362 nan 8.230 nan 0.000 0.432 914 L N -0.264 121.034 121.223 0.125 0.000 2.013 914 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 914 L C 2.703 179.632 176.870 0.099 0.000 1.073 914 L CA 1.908 56.797 54.840 0.081 0.000 0.753 914 L CB -0.482 41.590 42.059 0.021 0.000 0.890 914 L HN 0.264 nan 8.230 nan 0.000 0.432 915 A N -1.247 121.632 122.820 0.097 0.000 1.930 915 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 915 A C 2.371 180.015 177.584 0.100 0.000 1.175 915 A CA 1.497 53.604 52.037 0.116 0.000 0.627 915 A CB -0.795 18.268 19.000 0.105 0.000 0.815 915 A HN 0.482 nan 8.150 nan 0.000 0.443 916 A N -0.682 122.139 122.820 0.000 0.000 1.854 916 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 916 A C 2.271 179.774 177.584 -0.134 0.000 1.192 916 A CA 2.143 54.062 52.037 -0.198 0.000 0.611 916 A CB -1.369 17.192 19.000 -0.732 0.000 0.832 916 A HN 0.409 nan 8.150 nan 0.000 0.442 917 T N -0.705 113.798 114.554 -0.084 0.000 2.849 917 T HA -0.141 4.208 4.350 -0.000 0.000 0.270 917 T C 1.535 176.263 174.700 0.047 0.000 1.066 917 T CA 1.621 63.703 62.100 -0.030 0.000 1.130 917 T CB -0.344 68.529 68.868 0.009 0.000 0.864 917 T HN 0.436 nan 8.240 nan 0.000 0.481 918 F N 1.551 121.473 119.950 -0.048 0.000 2.104 918 F HA 0.254 4.781 4.527 -0.000 0.000 0.288 918 F C 1.488 177.269 175.800 -0.031 0.000 1.107 918 F CA 0.455 58.438 58.000 -0.027 0.000 1.208 918 F CB -0.097 38.895 39.000 -0.013 0.000 1.033 918 F HN -0.152 nan 8.300 nan 0.000 0.478 919 R N 0.055 120.573 120.500 0.030 0.000 2.840 919 R HA 0.106 4.446 4.340 -0.000 0.000 0.282 919 R C 0.969 177.208 176.300 -0.102 0.000 1.133 919 R CA 0.546 56.602 56.100 -0.074 0.000 1.208 919 R CB -0.240 30.079 30.300 0.031 0.000 1.160 919 R HN 0.384 nan 8.270 nan 0.000 0.576 920 G N 1.322 110.069 108.800 -0.088 0.000 3.279 920 G HA2 0.140 4.100 3.960 -0.000 0.000 0.230 920 G HA3 0.140 4.100 3.960 -0.000 0.000 0.230 920 G C 0.592 175.455 174.900 -0.063 0.000 1.230 920 G CA -0.137 44.916 45.100 -0.079 0.000 0.891 920 G HN 0.200 nan 8.290 nan 0.000 0.518 921 L N -0.853 120.328 121.223 -0.070 0.000 2.569 921 L HA 0.734 5.074 4.340 -0.000 0.000 0.247 921 L C 0.504 177.296 176.870 -0.130 0.000 1.135 921 L CA -0.559 54.235 54.840 -0.077 0.000 0.812 921 L CB 1.530 43.544 42.059 -0.075 0.000 1.431 921 L HN 0.074 nan 8.230 nan 0.000 0.499 922 T N -1.553 112.914 114.554 -0.146 0.000 2.792 922 T HA 0.141 4.491 4.350 -0.000 0.000 0.303 922 T C -0.878 173.716 174.700 -0.176 0.000 1.310 922 T CA -0.710 61.290 62.100 -0.165 0.000 1.007 922 T CB 1.461 70.288 68.868 -0.068 0.000 1.335 922 T HN 0.670 nan 8.240 nan 0.000 0.504 923 N N 2.062 120.690 118.700 -0.121 0.000 2.498 923 N HA 0.183 4.922 4.740 -0.000 0.000 0.277 923 N C -0.165 175.464 175.510 0.198 0.000 1.208 923 N CA -0.281 52.848 53.050 0.131 0.000 1.029 923 N CB 0.067 38.623 38.487 0.115 0.000 1.403 923 N HN 0.588 nan 8.380 nan 0.000 0.500 924 D N 0.368 120.919 120.400 0.252 0.000 2.494 924 D HA 0.086 4.726 4.640 -0.000 0.000 0.256 924 D C 1.117 177.572 176.300 0.259 0.000 1.197 924 D CA -0.649 53.480 54.000 0.216 0.000 1.096 924 D CB 0.137 41.025 40.800 0.146 0.000 1.191 924 D HN -0.006 nan 8.370 nan 0.000 0.608 925 V N -1.341 118.624 119.914 0.085 0.000 2.346 925 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 925 V C 2.072 178.227 176.094 0.102 0.000 1.037 925 V CA 1.247 63.566 62.300 0.032 0.000 1.029 925 V CB -0.892 30.712 31.823 -0.364 0.000 0.663 925 V HN 0.471 nan 8.190 nan 0.000 0.454 926 Y N -1.191 119.235 120.300 0.209 0.000 2.256 926 Y HA -0.289 4.261 4.550 -0.000 0.000 0.288 926 Y C 2.256 178.314 175.900 0.263 0.000 1.155 926 Y CA 2.148 60.384 58.100 0.227 0.000 1.203 926 Y CB -0.426 38.172 38.460 0.230 0.000 0.980 926 Y HN 0.316 nan 8.280 nan 0.000 0.530 927 F N 0.926 121.042 119.950 0.277 0.000 2.187 927 F HA -0.136 4.391 4.527 -0.000 0.000 0.295 927 F C 2.388 178.314 175.800 0.210 0.000 1.091 927 F CA 1.355 59.481 58.000 0.212 0.000 1.308 927 F CB -0.557 38.543 39.000 0.167 0.000 1.030 927 F HN -0.044 nan 8.300 nan 0.000 0.487 928 Q N 0.024 119.922 119.800 0.163 0.000 2.181 928 Q HA -0.133 4.207 4.340 -0.000 0.000 0.205 928 Q C 1.766 177.777 176.000 0.019 0.000 0.980 928 Q CA 2.182 58.031 55.803 0.077 0.000 0.862 928 Q CB -0.162 28.718 28.738 0.237 0.000 0.905 928 Q HN 0.365 nan 8.270 nan 0.000 0.429 929 V N -1.118 118.849 119.914 0.088 0.000 3.354 929 V HA 0.111 4.231 4.120 -0.000 0.000 0.258 929 V C 1.971 178.123 176.094 0.096 0.000 1.159 929 V CA 1.026 63.371 62.300 0.074 0.000 1.125 929 V CB -0.219 31.656 31.823 0.088 0.000 0.774 929 V HN 0.457 nan 8.190 nan 0.000 0.464 930 G N 0.529 109.370 108.800 0.068 0.000 2.448 930 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.219 930 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.219 930 G C 1.458 176.346 174.900 -0.020 0.000 1.127 930 G CA 0.674 45.808 45.100 0.056 0.000 0.766 930 G HN 0.439 nan 8.290 nan 0.000 0.552 931 L N -0.416 120.736 121.223 -0.119 0.000 2.023 931 L HA 0.061 4.401 4.340 -0.000 0.000 0.205 931 L C 2.869 179.770 176.870 0.052 0.000 1.073 931 L CA 0.697 55.488 54.840 -0.081 0.000 0.745 931 L CB -0.678 41.322 42.059 -0.099 0.000 0.900 931 L HN 0.181 nan 8.230 nan 0.000 0.435 932 L N -0.493 120.805 121.223 0.125 0.000 2.083 932 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 932 L C 2.606 179.615 176.870 0.232 0.000 1.083 932 L CA 1.237 56.200 54.840 0.205 0.000 0.752 932 L CB -0.991 41.209 42.059 0.235 0.000 0.899 932 L HN 0.221 nan 8.230 nan 0.000 0.433 933 T N -1.636 113.090 114.554 0.286 0.000 2.737 933 T HA -0.253 4.097 4.350 -0.000 0.000 0.269 933 T C 1.935 176.643 174.700 0.014 0.000 1.040 933 T CA 2.141 64.367 62.100 0.210 0.000 1.142 933 T CB -0.220 68.793 68.868 0.241 0.000 0.861 933 T HN 0.317 nan 8.240 nan 0.000 0.456 934 T N 0.348 114.902 114.554 0.001 0.000 3.051 934 T HA 0.178 4.528 4.350 -0.000 0.000 0.255 934 T C 1.750 176.408 174.700 -0.070 0.000 1.085 934 T CA 0.041 62.101 62.100 -0.067 0.000 1.109 934 T CB -0.156 68.683 68.868 -0.048 0.000 0.921 934 T HN 0.200 nan 8.240 nan 0.000 0.488 935 I N 1.123 121.670 120.570 -0.039 0.000 2.493 935 I HA 0.052 4.222 4.170 -0.000 0.000 0.254 935 I C 2.535 178.599 176.117 -0.089 0.000 1.160 935 I CA 0.987 62.262 61.300 -0.043 0.000 1.445 935 I CB -0.358 37.642 38.000 0.001 0.000 1.086 935 I HN 0.265 nan 8.210 nan 0.000 0.433 936 G N 0.117 108.835 108.800 -0.137 0.000 2.430 936 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.216 936 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.216 936 G C 1.610 176.409 174.900 -0.169 0.000 1.146 936 G CA 0.253 45.231 45.100 -0.203 0.000 0.793 936 G HN 0.319 nan 8.290 nan 0.000 0.537 937 L N 0.681 121.804 121.223 -0.166 0.000 2.418 937 L HA 0.116 4.456 4.340 -0.000 0.000 0.218 937 L C 2.768 179.549 176.870 -0.149 0.000 1.125 937 L CA 0.296 55.023 54.840 -0.188 0.000 0.835 937 L CB 0.202 42.080 42.059 -0.302 0.000 0.953 937 L HN 0.139 nan 8.230 nan 0.000 0.454 938 S N -0.064 115.565 115.700 -0.117 0.000 2.404 938 S HA 0.044 4.514 4.470 -0.000 0.000 0.223 938 S C 2.250 176.801 174.600 -0.081 0.000 1.040 938 S CA 0.761 58.910 58.200 -0.086 0.000 0.957 938 S CB 0.008 63.172 63.200 -0.060 0.000 0.826 938 S HN 0.417 nan 8.310 nan 0.000 0.491 939 A N 2.685 125.453 122.820 -0.087 0.000 1.873 939 A HA -0.238 4.081 4.320 -0.000 0.000 0.218 939 A C 1.946 179.476 177.584 -0.091 0.000 1.193 939 A CA 2.326 54.308 52.037 -0.092 0.000 0.629 939 A CB -0.761 18.180 19.000 -0.097 0.000 0.826 939 A HN 0.385 nan 8.150 nan 0.000 0.447 940 K N 0.440 120.784 120.400 -0.094 0.000 1.990 940 K HA -0.243 4.077 4.320 -0.000 0.000 0.225 940 K C 1.643 178.203 176.600 -0.066 0.000 1.053 940 K CA 2.482 58.721 56.287 -0.081 0.000 0.982 940 K CB -0.808 31.638 32.500 -0.090 0.000 0.734 940 K HN 0.440 nan 8.250 nan 0.000 0.448 941 N N 0.357 119.016 118.700 -0.067 0.000 2.037 941 N HA -0.205 4.534 4.740 -0.000 0.000 0.196 941 N C 1.694 177.172 175.510 -0.052 0.000 1.034 941 N CA 2.080 55.101 53.050 -0.048 0.000 0.861 941 N CB -0.988 37.466 38.487 -0.055 0.000 1.039 941 N HN 0.449 nan 8.380 nan 0.000 0.427 942 A N 1.229 124.005 122.820 -0.074 0.000 1.851 942 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 942 A C 2.363 179.896 177.584 -0.085 0.000 1.195 942 A CA 1.402 53.384 52.037 -0.092 0.000 0.622 942 A CB -1.036 17.911 19.000 -0.089 0.000 0.831 942 A HN 0.271 nan 8.150 nan 0.000 0.444 943 I N 0.172 120.687 120.570 -0.091 0.000 2.285 943 I HA -0.365 3.805 4.170 -0.000 0.000 0.253 943 I C 2.294 178.367 176.117 -0.073 0.000 1.104 943 I CA 1.519 62.770 61.300 -0.082 0.000 1.372 943 I CB -0.371 37.593 38.000 -0.060 0.000 1.057 943 I HN 0.382 nan 8.210 nan 0.000 0.431 944 L N -0.227 120.953 121.223 -0.071 0.000 2.027 944 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 944 L C 2.499 179.412 176.870 0.072 0.000 1.074 944 L CA 1.085 55.884 54.840 -0.068 0.000 0.745 944 L CB -0.764 41.348 42.059 0.088 0.000 0.898 944 L HN 0.189 nan 8.230 nan 0.000 0.433 945 I N -0.215 120.385 120.570 0.051 0.000 2.315 945 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 945 I C 2.429 178.585 176.117 0.065 0.000 1.125 945 I CA 1.470 62.795 61.300 0.041 0.000 1.392 945 I CB -0.501 37.397 38.000 -0.171 0.000 1.065 945 I HN 0.142 nan 8.210 nan 0.000 0.424 946 V N 0.198 120.124 119.914 0.019 0.000 2.992 946 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 946 V C 2.355 178.491 176.094 0.070 0.000 1.090 946 V CA 1.145 63.466 62.300 0.035 0.000 1.101 946 V CB 0.273 32.076 31.823 -0.035 0.000 0.743 946 V HN 0.300 nan 8.190 nan 0.000 0.468 947 E N 0.360 120.568 120.200 0.013 0.000 2.033 947 E HA -0.101 4.249 4.350 -0.000 0.000 0.189 947 E C 1.908 178.478 176.600 -0.050 0.000 0.979 947 E CA 1.626 57.992 56.400 -0.057 0.000 0.802 947 E CB -0.465 29.087 29.700 -0.246 0.000 0.763 947 E HN 0.550 nan 8.360 nan 0.000 0.449 948 F N 0.357 120.343 119.950 0.061 0.000 2.216 948 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 948 F C 2.253 178.093 175.800 0.066 0.000 1.085 948 F CA 0.718 58.751 58.000 0.056 0.000 1.326 948 F CB -0.120 38.916 39.000 0.060 0.000 1.027 948 F HN 0.173 nan 8.300 nan 0.000 0.497 949 A N -0.898 122.076 122.820 0.255 0.000 2.067 949 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 949 A C 1.866 179.541 177.584 0.152 0.000 1.156 949 A CA 1.033 53.189 52.037 0.198 0.000 0.683 949 A CB -0.185 18.937 19.000 0.204 0.000 0.808 949 A HN 0.067 nan 8.150 nan 0.000 0.455 950 K N 0.017 120.489 120.400 0.120 0.000 2.352 950 K HA 0.104 4.424 4.320 -0.000 0.000 0.194 950 K C 0.969 177.604 176.600 0.057 0.000 1.038 950 K CA 0.478 56.812 56.287 0.077 0.000 1.023 950 K CB -0.035 32.500 32.500 0.058 0.000 0.840 950 K HN 0.320 nan 8.250 nan 0.000 0.519 951 D N 0.423 120.868 120.400 0.074 0.000 2.144 951 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 951 D C 1.640 177.989 176.300 0.080 0.000 0.978 951 D CA 0.902 54.944 54.000 0.071 0.000 0.833 951 D CB 0.206 41.074 40.800 0.113 0.000 0.961 951 D HN 0.125 nan 8.370 nan 0.000 0.470 952 L N 0.003 121.289 121.223 0.104 0.000 2.179 952 L HA -0.007 4.332 4.340 -0.000 0.000 0.208 952 L C 2.476 179.392 176.870 0.077 0.000 1.096 952 L CA 0.410 55.304 54.840 0.089 0.000 0.779 952 L CB -0.155 41.965 42.059 0.103 0.000 0.922 952 L HN 0.001 nan 8.230 nan 0.000 0.443 953 M N -0.753 118.898 119.600 0.086 0.000 2.175 953 M HA -0.175 4.305 4.480 -0.000 0.000 0.264 953 M C 1.402 177.732 176.300 0.050 0.000 1.063 953 M CA 1.738 57.090 55.300 0.085 0.000 1.119 953 M CB 0.096 32.751 32.600 0.092 0.000 1.377 953 M HN 0.198 nan 8.290 nan 0.000 0.415 954 D N -0.317 120.102 120.400 0.032 0.000 2.844 954 D HA -0.028 4.612 4.640 -0.000 0.000 0.271 954 D C 1.741 178.050 176.300 0.015 0.000 1.386 954 D CA 0.697 54.705 54.000 0.013 0.000 1.053 954 D CB -0.275 40.522 40.800 -0.005 0.000 1.107 954 D HN 0.242 nan 8.370 nan 0.000 0.395 955 K N 1.088 121.497 120.400 0.015 0.000 2.097 955 K HA -0.193 4.127 4.320 -0.000 0.000 0.214 955 K C 1.738 178.349 176.600 0.020 0.000 1.052 955 K CA 1.348 57.644 56.287 0.015 0.000 0.932 955 K CB -0.107 32.405 32.500 0.019 0.000 0.716 955 K HN 0.335 nan 8.250 nan 0.000 0.455 956 E N -0.071 120.146 120.200 0.029 0.000 3.277 956 E HA 0.165 4.515 4.350 -0.000 0.000 0.426 956 E C 0.921 177.537 176.600 0.026 0.000 0.326 956 E CA -0.007 56.409 56.400 0.028 0.000 2.454 956 E CB -0.019 29.702 29.700 0.034 0.000 2.219 956 E HN 0.249 nan 8.360 nan 0.000 0.459 957 G N 0.002 108.821 108.800 0.032 0.000 2.644 957 G HA2 0.271 4.231 3.960 -0.000 0.000 0.307 957 G HA3 0.271 4.231 3.960 -0.000 0.000 0.307 957 G C 0.234 175.162 174.900 0.047 0.000 1.250 957 G CA -0.211 44.908 45.100 0.032 0.000 0.996 957 G HN 0.182 nan 8.290 nan 0.000 0.489 958 K N -0.036 120.394 120.400 0.050 0.000 1.965 958 K HA 0.115 4.435 4.320 -0.000 0.000 0.218 958 K C 1.551 178.211 176.600 0.100 0.000 1.048 958 K CA 1.849 58.185 56.287 0.082 0.000 0.960 958 K CB -0.780 31.766 32.500 0.077 0.000 0.732 958 K HN 1.555 nan 8.250 nan 0.000 0.444 959 G N 1.165 109.999 108.800 0.056 0.000 2.333 959 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.296 959 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.296 959 G C 0.453 175.351 174.900 -0.003 0.000 1.059 959 G CA 0.507 45.620 45.100 0.023 0.000 1.050 959 G HN 0.397 nan 8.290 nan 0.000 0.508 960 L N -0.676 120.532 121.223 -0.026 0.000 2.077 960 L HA -0.264 4.076 4.340 -0.000 0.000 0.231 960 L C 2.630 179.140 176.870 -0.601 0.000 1.100 960 L CA 3.150 57.860 54.840 -0.216 0.000 0.819 960 L CB -0.021 41.946 42.059 -0.153 0.000 0.913 960 L HN 0.906 nan 8.230 nan 0.000 0.446 961 I N -5.632 114.727 120.570 -0.352 0.000 4.338 961 I HA 0.157 4.327 4.170 -0.000 0.000 0.329 961 I C 0.751 176.753 176.117 -0.192 0.000 1.378 961 I CA -0.134 60.970 61.300 -0.328 0.000 1.170 961 I CB 0.363 38.173 38.000 -0.316 0.000 1.206 961 I HN -0.019 nan 8.210 nan 0.000 0.432 962 E N 1.630 121.753 120.200 -0.129 0.000 2.394 962 E HA 0.392 4.742 4.350 -0.000 0.000 0.191 962 E C 1.347 177.926 176.600 -0.034 0.000 1.044 962 E CA 0.534 56.883 56.400 -0.085 0.000 0.939 962 E CB 0.945 30.604 29.700 -0.069 0.000 1.089 962 E HN 0.629 nan 8.360 nan 0.000 0.456 963 A N -0.196 122.621 122.820 -0.005 0.000 1.988 963 A HA -0.014 4.306 4.320 -0.000 0.000 0.198 963 A C 2.184 179.821 177.584 0.088 0.000 1.507 963 A CA 0.758 52.829 52.037 0.056 0.000 0.901 963 A CB -0.564 18.498 19.000 0.104 0.000 1.007 963 A HN 0.313 nan 8.150 nan 0.000 0.502 964 T N -0.783 113.830 114.554 0.098 0.000 2.759 964 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 964 T C 1.841 176.606 174.700 0.107 0.000 1.042 964 T CA 1.627 63.823 62.100 0.160 0.000 1.140 964 T CB -0.483 68.487 68.868 0.169 0.000 0.864 964 T HN 0.205 nan 8.240 nan 0.000 0.455 965 L N 0.890 122.086 121.223 -0.045 0.000 2.072 965 L HA 0.027 4.367 4.340 -0.000 0.000 0.205 965 L C 2.468 179.302 176.870 -0.060 0.000 1.079 965 L CA 1.713 56.464 54.840 -0.149 0.000 0.752 965 L CB -0.353 41.581 42.059 -0.208 0.000 0.906 965 L HN 0.203 nan 8.230 nan 0.000 0.436 966 D N -0.564 119.827 120.400 -0.016 0.000 2.350 966 D HA -0.127 4.513 4.640 -0.000 0.000 0.216 966 D C 1.897 178.223 176.300 0.044 0.000 0.968 966 D CA 1.018 55.023 54.000 0.008 0.000 0.894 966 D CB 0.345 41.152 40.800 0.011 0.000 0.909 966 D HN 0.409 nan 8.370 nan 0.000 0.520 967 A N -0.463 122.415 122.820 0.096 0.000 1.878 967 A HA 0.004 4.324 4.320 -0.000 0.000 0.213 967 A C 2.255 179.929 177.584 0.151 0.000 1.192 967 A CA 0.979 53.100 52.037 0.141 0.000 0.619 967 A CB -0.687 18.450 19.000 0.228 0.000 0.837 967 A HN 0.195 nan 8.150 nan 0.000 0.446 968 V N 0.278 120.333 119.914 0.234 0.000 2.871 968 V HA -0.092 4.028 4.120 -0.000 0.000 0.256 968 V C 2.392 178.596 176.094 0.183 0.000 1.082 968 V CA 1.649 64.117 62.300 0.280 0.000 1.105 968 V CB -0.767 31.381 31.823 0.542 0.000 0.713 968 V HN 0.579 nan 8.190 nan 0.000 0.473 969 R N 1.256 121.817 120.500 0.102 0.000 2.170 969 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 969 R C 1.262 177.592 176.300 0.050 0.000 1.145 969 R CA 1.949 58.089 56.100 0.066 0.000 0.984 969 R CB -0.254 30.058 30.300 0.020 0.000 0.869 969 R HN 0.710 nan 8.270 nan 0.000 0.455 970 M N -0.647 118.966 119.600 0.021 0.000 2.944 970 M HA 0.369 4.849 4.480 -0.000 0.000 0.235 970 M C -0.708 175.534 176.300 -0.096 0.000 1.188 970 M CA -0.532 54.746 55.300 -0.038 0.000 0.688 970 M CB 1.033 33.588 32.600 -0.075 0.000 1.406 970 M HN -0.035 nan 8.290 nan 0.000 0.479 971 R N -0.608 119.883 120.500 -0.015 0.000 2.558 971 R HA 0.054 4.393 4.340 -0.000 0.000 0.069 971 R C 0.134 176.472 176.300 0.062 0.000 0.505 971 R CA -0.286 55.811 56.100 -0.005 0.000 0.737 971 R CB -1.886 28.387 30.300 -0.046 0.000 0.912 971 R HN 0.505 nan 8.270 nan 0.000 0.583 972 L N 0.612 121.869 121.223 0.057 0.000 2.191 972 L HA 0.129 4.469 4.340 -0.000 0.000 0.212 972 L C 1.828 178.711 176.870 0.021 0.000 1.103 972 L CA 1.961 56.809 54.840 0.014 0.000 0.769 972 L CB -0.487 41.514 42.059 -0.096 0.000 0.908 972 L HN 0.579 nan 8.230 nan 0.000 0.438 973 R N 0.862 121.382 120.500 0.033 0.000 2.088 973 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 973 R C -0.357 176.022 176.300 0.133 0.000 1.136 973 R CA 2.224 58.389 56.100 0.110 0.000 0.926 973 R CB -1.293 29.044 30.300 0.062 0.000 0.837 973 R HN 0.342 nan 8.270 nan 0.000 0.429 974 P HA -0.137 nan 4.420 nan 0.000 0.220 974 P C 1.472 178.789 177.300 0.029 0.000 1.148 974 P CA 1.350 64.481 63.100 0.052 0.000 0.803 974 P CB -0.156 31.589 31.700 0.075 0.000 0.782 975 I N -0.877 119.719 120.570 0.043 0.000 2.252 975 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 975 I C 2.344 178.459 176.117 -0.004 0.000 1.102 975 I CA 1.223 62.536 61.300 0.021 0.000 1.385 975 I CB -0.342 37.680 38.000 0.037 0.000 1.064 975 I HN -0.092 nan 8.210 nan 0.000 0.414 976 L N -0.508 120.722 121.223 0.012 0.000 2.592 976 L HA 0.041 4.381 4.340 -0.000 0.000 0.227 976 L C 2.051 178.845 176.870 -0.127 0.000 1.127 976 L CA 0.209 55.050 54.840 0.000 0.000 0.884 976 L CB 0.188 42.294 42.059 0.078 0.000 1.065 976 L HN 0.222 nan 8.230 nan 0.000 0.457 977 M N -1.768 117.719 119.600 -0.188 0.000 2.257 977 M HA -0.105 4.375 4.480 -0.000 0.000 0.260 977 M C 2.103 178.262 176.300 -0.235 0.000 1.102 977 M CA 1.459 56.508 55.300 -0.420 0.000 1.169 977 M CB 0.073 32.490 32.600 -0.304 0.000 1.323 977 M HN 0.068 nan 8.290 nan 0.000 0.447 978 T N -0.156 114.331 114.554 -0.111 0.000 2.555 978 T HA -0.218 4.132 4.350 -0.000 0.000 0.264 978 T C 1.826 176.521 174.700 -0.009 0.000 1.083 978 T CA 2.185 64.260 62.100 -0.043 0.000 1.179 978 T CB -0.561 68.291 68.868 -0.026 0.000 0.863 978 T HN 0.464 nan 8.240 nan 0.000 0.412 979 S N 0.661 116.341 115.700 -0.033 0.000 2.359 979 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 979 S C 2.108 176.728 174.600 0.034 0.000 1.039 979 S CA 1.759 59.949 58.200 -0.017 0.000 1.042 979 S CB -0.646 62.528 63.200 -0.044 0.000 0.915 979 S HN 0.410 nan 8.310 nan 0.000 0.439 980 L N 1.161 122.367 121.223 -0.027 0.000 2.083 980 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 980 L C 2.529 179.384 176.870 -0.025 0.000 1.083 980 L CA 1.829 56.649 54.840 -0.034 0.000 0.752 980 L CB -0.724 41.282 42.059 -0.089 0.000 0.899 980 L HN 0.400 nan 8.230 nan 0.000 0.433 981 A N -0.827 121.963 122.820 -0.050 0.000 1.930 981 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 981 A C 2.189 179.786 177.584 0.022 0.000 1.175 981 A CA 1.627 53.642 52.037 -0.037 0.000 0.627 981 A CB -1.049 17.911 19.000 -0.068 0.000 0.815 981 A HN 0.578 nan 8.150 nan 0.000 0.443 982 F N 0.854 120.762 119.950 -0.070 0.000 2.075 982 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 982 F C 2.054 177.827 175.800 -0.046 0.000 1.113 982 F CA 1.844 59.813 58.000 -0.052 0.000 1.218 982 F CB -0.140 38.833 39.000 -0.045 0.000 0.984 982 F HN 0.154 nan 8.300 nan 0.000 0.472 983 I N 0.255 120.993 120.570 0.281 0.000 2.248 983 I HA -0.343 3.827 4.170 -0.000 0.000 0.248 983 I C 2.322 178.437 176.117 -0.003 0.000 1.107 983 I CA 1.597 62.987 61.300 0.149 0.000 1.373 983 I CB -0.716 37.350 38.000 0.110 0.000 1.055 983 I HN 0.289 nan 8.210 nan 0.000 0.418 984 L N 0.067 121.273 121.223 -0.027 0.000 2.240 984 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 984 L C 2.532 179.345 176.870 -0.096 0.000 1.106 984 L CA 1.028 55.836 54.840 -0.053 0.000 0.793 984 L CB -0.540 41.495 42.059 -0.039 0.000 0.927 984 L HN 0.226 nan 8.230 nan 0.000 0.446 985 G N -1.138 107.573 108.800 -0.148 0.000 2.464 985 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 985 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 985 G C 1.452 176.204 174.900 -0.246 0.000 1.138 985 G CA 0.440 45.424 45.100 -0.193 0.000 0.793 985 G HN 0.185 nan 8.290 nan 0.000 0.539 986 V N 0.649 120.386 119.914 -0.294 0.000 3.041 986 V HA -0.065 4.055 4.120 -0.000 0.000 0.260 986 V C 2.574 178.575 176.094 -0.155 0.000 1.105 986 V CA 1.518 63.662 62.300 -0.260 0.000 1.125 986 V CB -0.147 31.526 31.823 -0.249 0.000 0.730 986 V HN 0.393 nan 8.190 nan 0.000 0.479 987 M N 1.267 120.797 119.600 -0.117 0.000 2.082 987 M HA -0.127 4.353 4.480 -0.000 0.000 0.258 987 M C -0.299 175.949 176.300 -0.087 0.000 1.069 987 M CA 2.462 57.714 55.300 -0.081 0.000 1.102 987 M CB -1.006 31.556 32.600 -0.063 0.000 1.336 987 M HN 0.230 nan 8.290 nan 0.000 0.404 988 P HA -0.101 nan 4.420 nan 0.000 0.230 988 P C 1.035 178.261 177.300 -0.122 0.000 1.158 988 P CA 1.267 64.304 63.100 -0.105 0.000 0.769 988 P CB -0.280 31.352 31.700 -0.113 0.000 0.807 989 L N -1.657 119.480 121.223 -0.145 0.000 2.298 989 L HA 0.022 4.362 4.340 -0.000 0.000 0.209 989 L C 2.479 179.280 176.870 -0.116 0.000 1.084 989 L CA 0.616 55.355 54.840 -0.169 0.000 0.816 989 L CB -1.065 40.843 42.059 -0.251 0.000 0.967 989 L HN -0.217 nan 8.230 nan 0.000 0.460 990 V N 0.933 120.796 119.914 -0.084 0.000 2.453 990 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 990 V C 1.621 177.696 176.094 -0.030 0.000 1.048 990 V CA 1.386 63.660 62.300 -0.044 0.000 1.049 990 V CB -0.388 31.423 31.823 -0.021 0.000 0.672 990 V HN 0.397 nan 8.190 nan 0.000 0.457 991 I N -4.017 116.531 120.570 -0.037 0.000 4.192 991 I HA 0.506 4.676 4.170 -0.000 0.000 0.170 991 I C 1.344 177.434 176.117 -0.044 0.000 0.593 991 I CA 0.323 61.605 61.300 -0.030 0.000 2.365 991 I CB 0.543 38.534 38.000 -0.015 0.000 1.194 991 I HN 0.188 nan 8.210 nan 0.000 0.418 992 S N 0.400 116.077 115.700 -0.038 0.000 3.953 992 S HA -0.229 4.241 4.470 -0.000 0.000 0.305 992 S C 0.843 175.413 174.600 -0.051 0.000 1.776 992 S CA 1.967 60.140 58.200 -0.045 0.000 4.019 992 S CB -2.746 60.419 63.200 -0.058 0.000 0.665 992 S HN 1.080 nan 8.310 nan 0.000 0.461 993 T N 0.959 115.472 114.554 -0.068 0.000 2.860 993 T HA 0.546 4.896 4.350 -0.000 0.000 0.299 993 T C 0.691 175.361 174.700 -0.051 0.000 1.045 993 T CA 0.110 62.165 62.100 -0.074 0.000 1.071 993 T CB 1.495 70.299 68.868 -0.106 0.000 0.985 993 T HN 1.577 nan 8.240 nan 0.000 0.537 994 G N -1.412 107.364 108.800 -0.040 0.000 5.312 994 G HA2 0.564 4.524 3.960 -0.000 0.000 0.204 994 G HA3 0.564 4.524 3.960 -0.000 0.000 0.204 994 G C 0.080 174.992 174.900 0.020 0.000 1.097 994 G CA 0.058 45.152 45.100 -0.010 0.000 0.621 994 G HN 1.124 nan 8.290 nan 0.000 0.290 995 A N -1.323 121.498 122.820 0.000 0.000 1.790 995 A HA 0.467 4.787 4.320 -0.000 0.000 0.174 995 A C 1.978 179.495 177.584 -0.113 0.000 2.050 995 A CA 1.271 53.351 52.037 0.072 0.000 1.622 995 A CB -0.875 18.236 19.000 0.185 0.000 1.619 995 A HN 1.322 nan 8.150 nan 0.000 0.280 996 G N 1.151 109.753 108.800 -0.330 0.000 2.552 996 G HA2 0.156 4.116 3.960 -0.000 0.000 0.216 996 G HA3 0.156 4.116 3.960 -0.000 0.000 0.216 996 G C 0.841 175.466 174.900 -0.459 0.000 1.240 996 G CA 1.885 46.597 45.100 -0.647 0.000 0.796 996 G HN 1.655 nan 8.290 nan 0.000 0.568 997 S N -0.779 114.771 115.700 -0.249 0.000 2.774 997 S HA 0.555 5.025 4.470 -0.000 0.000 0.297 997 S C 0.786 175.376 174.600 -0.017 0.000 1.143 997 S CA 0.142 58.272 58.200 -0.116 0.000 1.090 997 S CB 1.598 64.725 63.200 -0.122 0.000 1.019 997 S HN 0.495 nan 8.310 nan 0.000 0.482 998 G N 1.860 110.678 108.800 0.030 0.000 2.598 998 G HA2 0.188 4.147 3.960 -0.000 0.000 0.215 998 G HA3 0.188 4.147 3.960 -0.000 0.000 0.215 998 G C 1.214 176.122 174.900 0.014 0.000 1.131 998 G CA 0.369 45.487 45.100 0.030 0.000 0.785 998 G HN 1.008 nan 8.290 nan 0.000 0.539 999 A N 0.292 123.113 122.820 0.002 0.000 2.067 999 A HA -0.006 4.313 4.320 -0.000 0.000 0.219 999 A C 2.194 179.751 177.584 -0.046 0.000 1.158 999 A CA 1.490 53.445 52.037 -0.137 0.000 0.661 999 A CB -0.269 18.465 19.000 -0.443 0.000 0.801 999 A HN 0.426 nan 8.150 nan 0.000 0.452 1000 Q N -0.155 119.671 119.800 0.044 0.000 2.152 1000 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 1000 Q C 1.767 177.657 176.000 -0.183 0.000 0.985 1000 Q CA 2.004 57.663 55.803 -0.239 0.000 0.863 1000 Q CB -0.279 28.354 28.738 -0.175 0.000 0.904 1000 Q HN 0.859 nan 8.270 nan 0.000 0.422 1001 N N 0.064 118.714 118.700 -0.084 0.000 2.188 1001 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 1001 N C 1.651 177.157 175.510 -0.005 0.000 1.018 1001 N CA 0.958 53.983 53.050 -0.041 0.000 0.858 1001 N CB -0.130 38.348 38.487 -0.015 0.000 0.989 1001 N HN 0.201 nan 8.380 nan 0.000 0.426 1002 A N 0.520 123.343 122.820 0.005 0.000 1.972 1002 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 1002 A C 2.253 179.936 177.584 0.166 0.000 1.169 1002 A CA 1.188 53.286 52.037 0.101 0.000 0.635 1002 A CB -0.537 18.560 19.000 0.162 0.000 0.810 1002 A HN 0.111 nan 8.150 nan 0.000 0.446 1003 V N -0.639 119.303 119.914 0.047 0.000 2.300 1003 V HA -0.029 4.091 4.120 -0.000 0.000 0.241 1003 V C 2.826 178.957 176.094 0.062 0.000 1.034 1003 V CA 1.691 64.035 62.300 0.074 0.000 1.021 1003 V CB -1.486 30.264 31.823 -0.123 0.000 0.662 1003 V HN 0.535 nan 8.190 nan 0.000 0.458 1004 G N -0.398 108.382 108.800 -0.035 0.000 2.448 1004 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 1004 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 1004 G C 1.634 176.571 174.900 0.061 0.000 1.127 1004 G CA 1.542 46.633 45.100 -0.015 0.000 0.766 1004 G HN 0.464 nan 8.290 nan 0.000 0.552 1005 T N 0.621 115.225 114.554 0.084 0.000 2.867 1005 T HA 0.025 4.375 4.350 -0.000 0.000 0.268 1005 T C 2.114 176.931 174.700 0.195 0.000 1.057 1005 T CA 1.144 63.312 62.100 0.113 0.000 1.136 1005 T CB -0.113 68.809 68.868 0.090 0.000 0.874 1005 T HN 0.319 nan 8.240 nan 0.000 0.466 1006 G N 0.484 109.463 108.800 0.298 0.000 3.440 1006 G HA2 0.341 4.301 3.960 -0.000 0.000 0.263 1006 G HA3 0.341 4.301 3.960 -0.000 0.000 0.263 1006 G C 0.924 175.964 174.900 0.234 0.000 1.236 1006 G CA 0.136 45.494 45.100 0.431 0.000 0.927 1006 G HN 0.482 nan 8.290 nan 0.000 0.530 1007 V N -3.090 116.940 119.914 0.194 0.000 3.155 1007 V HA 0.239 4.359 4.120 -0.000 0.000 0.225 1007 V C 2.291 178.498 176.094 0.188 0.000 1.462 1007 V CA 0.277 62.691 62.300 0.191 0.000 1.270 1007 V CB -0.624 31.369 31.823 0.284 0.000 1.112 1007 V HN 0.206 nan 8.190 nan 0.000 0.479 1008 M N 1.755 121.455 119.600 0.167 0.000 2.089 1008 M HA -0.150 4.329 4.480 -0.000 0.000 0.257 1008 M C 2.070 178.423 176.300 0.088 0.000 1.071 1008 M CA 2.708 58.079 55.300 0.119 0.000 1.096 1008 M CB -0.507 32.138 32.600 0.075 0.000 1.330 1008 M HN 0.598 nan 8.290 nan 0.000 0.403 1009 G N -1.372 107.486 108.800 0.097 0.000 2.418 1009 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 1009 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 1009 G C 1.192 176.134 174.900 0.070 0.000 1.158 1009 G CA 0.856 46.004 45.100 0.080 0.000 0.771 1009 G HN 0.603 nan 8.290 nan 0.000 0.545 1010 G N -0.728 108.124 108.800 0.086 0.000 3.448 1010 G HA2 0.346 4.306 3.960 -0.000 0.000 0.261 1010 G HA3 0.346 4.306 3.960 -0.000 0.000 0.261 1010 G C 1.155 176.059 174.900 0.006 0.000 1.173 1010 G CA -0.108 45.022 45.100 0.050 0.000 0.835 1010 G HN 0.230 nan 8.290 nan 0.000 0.534 1011 M N -0.606 119.001 119.600 0.011 0.000 2.564 1011 M HA 0.170 4.650 4.480 -0.000 0.000 0.254 1011 M C 2.423 178.716 176.300 -0.012 0.000 1.299 1011 M CA 0.414 55.694 55.300 -0.034 0.000 1.143 1011 M CB 0.107 32.694 32.600 -0.021 0.000 1.427 1011 M HN 0.058 nan 8.290 nan 0.000 0.538 1012 V N 1.080 120.999 119.914 0.009 0.000 2.278 1012 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 1012 V C 1.784 177.874 176.094 -0.006 0.000 1.062 1012 V CA 2.354 64.653 62.300 -0.001 0.000 1.038 1012 V CB -0.977 30.842 31.823 -0.007 0.000 0.646 1012 V HN 0.447 nan 8.190 nan 0.000 0.447 1013 T N -0.955 113.597 114.554 -0.003 0.000 3.163 1013 T HA 0.399 4.748 4.350 -0.000 0.000 0.252 1013 T C 1.119 175.823 174.700 0.007 0.000 1.056 1013 T CA 0.661 62.760 62.100 -0.001 0.000 0.947 1013 T CB 0.343 69.209 68.868 -0.004 0.000 1.016 1013 T HN 0.481 nan 8.240 nan 0.000 0.554 1014 A N 1.043 123.860 122.820 -0.006 0.000 2.470 1014 A HA 0.397 4.717 4.320 -0.000 0.000 0.251 1014 A C 1.872 179.453 177.584 -0.005 0.000 1.245 1014 A CA 0.460 52.487 52.037 -0.016 0.000 0.932 1014 A CB -0.077 18.887 19.000 -0.059 0.000 1.037 1014 A HN 0.490 nan 8.150 nan 0.000 0.522 1015 T N -4.886 109.679 114.554 0.018 0.000 3.507 1015 T HA 0.095 4.445 4.350 -0.000 0.000 0.280 1015 T C 0.297 175.049 174.700 0.086 0.000 0.976 1015 T CA 0.555 62.678 62.100 0.038 0.000 1.096 1015 T CB -0.458 68.413 68.868 0.005 0.000 1.168 1015 T HN 0.003 nan 8.240 nan 0.000 0.463 1016 V N 3.013 122.958 119.914 0.052 0.000 1.959 1016 V HA 0.482 4.602 4.120 -0.000 0.000 0.242 1016 V C 0.600 176.755 176.094 0.101 0.000 1.613 1016 V CA 0.620 62.947 62.300 0.044 0.000 1.566 1016 V CB -0.792 31.019 31.823 -0.020 0.000 1.547 1016 V HN 0.540 nan 8.190 nan 0.000 0.503 1017 L N 1.949 123.312 121.223 0.232 0.000 1.227 1017 L HA 0.051 4.391 4.340 -0.000 0.000 0.059 1017 L C 1.851 178.905 176.870 0.305 0.000 1.492 1017 L CA 1.499 56.505 54.840 0.278 0.000 1.140 1017 L CB -0.968 41.166 42.059 0.125 0.000 2.319 1017 L HN 0.252 nan 8.230 nan 0.000 0.445 1018 A N -0.257 122.680 122.820 0.196 0.000 1.897 1018 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 1018 A C 1.659 179.336 177.584 0.155 0.000 1.181 1018 A CA 1.845 53.961 52.037 0.132 0.000 0.620 1018 A CB -0.483 18.545 19.000 0.047 0.000 0.821 1018 A HN 0.326 nan 8.150 nan 0.000 0.443 1019 I N -1.468 119.252 120.570 0.250 0.000 3.620 1019 I HA 0.302 4.472 4.170 -0.000 0.000 0.305 1019 I C -0.215 176.342 176.117 0.733 0.000 1.243 1019 I CA -0.009 61.527 61.300 0.394 0.000 1.196 1019 I CB -0.989 37.175 38.000 0.274 0.000 1.004 1019 I HN 0.228 nan 8.210 nan 0.000 0.487 1020 F N -2.604 117.619 119.950 0.455 0.000 3.169 1020 F HA 0.231 4.758 4.527 -0.000 0.000 0.325 1020 F C 0.871 176.865 175.800 0.322 0.000 1.175 1020 F CA -0.786 57.432 58.000 0.363 0.000 0.887 1020 F CB 0.220 39.391 39.000 0.286 0.000 1.457 1020 F HN -0.101 nan 8.300 nan 0.000 0.496 1021 F N -0.121 120.086 119.950 0.428 0.000 2.168 1021 F HA -0.386 4.141 4.527 -0.000 0.000 0.206 1021 F C 0.499 176.197 175.800 -0.168 0.000 1.313 1021 F CA 1.941 60.014 58.000 0.121 0.000 1.985 1021 F CB -1.521 37.634 39.000 0.258 0.000 0.510 1021 F HN 0.158 nan 8.300 nan 0.000 0.289 1022 V N 1.102 121.174 119.914 0.262 0.000 2.630 1022 V HA 0.305 4.425 4.120 -0.000 0.000 0.305 1022 V C -1.548 174.639 176.094 0.155 0.000 1.046 1022 V CA -1.989 60.367 62.300 0.093 0.000 0.934 1022 V CB 1.646 33.576 31.823 0.179 0.000 1.003 1022 V HN 0.010 nan 8.190 nan 0.000 0.451 1023 P HA -0.232 nan 4.420 nan 0.000 0.288 1023 P C 0.363 177.773 177.300 0.183 0.000 1.836 1023 P CA 1.879 65.086 63.100 0.178 0.000 1.644 1023 P CB -0.064 31.668 31.700 0.054 0.000 0.363 1024 V N -4.272 115.667 119.914 0.043 0.000 5.767 1024 V HA -0.256 3.864 4.120 -0.000 0.000 0.311 1024 V C 0.717 176.514 176.094 -0.495 0.000 0.532 1024 V CA 1.785 63.970 62.300 -0.192 0.000 0.659 1024 V CB -3.128 28.542 31.823 -0.254 0.000 0.353 1024 V HN 0.621 nan 8.190 nan 0.000 1.082 1025 F N -4.238 115.793 119.950 0.135 0.000 1.687 1025 F HA -0.051 4.476 4.527 -0.000 0.000 0.286 1025 F C 1.371 177.173 175.800 0.003 0.000 1.237 1025 F CA 0.255 58.282 58.000 0.045 0.000 1.263 1025 F CB -0.866 38.127 39.000 -0.012 0.000 1.996 1025 F HN 0.122 nan 8.300 nan 0.000 0.126 1026 F N 2.080 122.148 119.950 0.197 0.000 2.171 1026 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 1026 F C 2.341 178.184 175.800 0.073 0.000 1.090 1026 F CA 1.860 59.920 58.000 0.100 0.000 1.293 1026 F CB -0.713 38.333 39.000 0.077 0.000 1.013 1026 F HN -0.051 nan 8.300 nan 0.000 0.486 1027 V N -1.462 118.595 119.914 0.238 0.000 2.231 1027 V HA -0.303 3.817 4.120 -0.000 0.000 0.239 1027 V C 2.212 178.406 176.094 0.166 0.000 1.035 1027 V CA 1.862 64.244 62.300 0.138 0.000 0.989 1027 V CB -1.712 30.159 31.823 0.080 0.000 0.636 1027 V HN 0.154 nan 8.190 nan 0.000 0.457 1028 V N 0.488 120.504 119.914 0.170 0.000 2.285 1028 V HA -0.344 3.776 4.120 -0.000 0.000 0.260 1028 V C 2.539 178.864 176.094 0.385 0.000 1.089 1028 V CA 2.479 64.916 62.300 0.228 0.000 1.082 1028 V CB -1.463 30.519 31.823 0.265 0.000 0.681 1028 V HN 0.462 nan 8.190 nan 0.000 0.452 1029 V N 1.497 121.605 119.914 0.323 0.000 2.217 1029 V HA -0.349 3.770 4.120 -0.000 0.000 0.248 1029 V C 2.611 178.885 176.094 0.300 0.000 1.050 1029 V CA 3.030 65.488 62.300 0.263 0.000 1.007 1029 V CB -0.884 30.946 31.823 0.012 0.000 0.639 1029 V HN 0.750 nan 8.190 nan 0.000 0.452 1030 R N 0.279 120.894 120.500 0.191 0.000 2.307 1030 R HA 0.022 4.362 4.340 -0.000 0.000 0.199 1030 R C 1.986 178.375 176.300 0.148 0.000 1.000 1030 R CA 0.776 56.968 56.100 0.154 0.000 1.023 1030 R CB -0.291 30.079 30.300 0.116 0.000 0.908 1030 R HN 0.505 nan 8.270 nan 0.000 0.473 1031 R N -0.134 120.468 120.500 0.169 0.000 2.084 1031 R HA 0.210 4.550 4.340 -0.000 0.000 0.209 1031 R C 1.985 178.359 176.300 0.124 0.000 1.173 1031 R CA -0.347 55.848 56.100 0.159 0.000 1.053 1031 R CB -0.419 29.996 30.300 0.192 0.000 0.948 1031 R HN -0.010 nan 8.270 nan 0.000 0.460 1032 R N 1.361 121.896 120.500 0.058 0.000 2.061 1032 R HA 0.031 4.370 4.340 -0.000 0.000 0.230 1032 R C 1.136 177.305 176.300 -0.218 0.000 1.140 1032 R CA 1.497 57.499 56.100 -0.164 0.000 0.940 1032 R CB -0.620 29.430 30.300 -0.416 0.000 0.839 1032 R HN -0.011 nan 8.270 nan 0.000 0.429 1033 F N 0.223 120.200 119.950 0.046 0.000 2.173 1033 F HA 0.042 4.568 4.527 -0.000 0.000 0.219 1033 F C 2.198 178.020 175.800 0.037 0.000 0.794 1033 F CA 0.758 58.777 58.000 0.033 0.000 1.131 1033 F CB -0.495 38.517 39.000 0.021 0.000 2.087 1033 F HN 0.272 nan 8.300 nan 0.000 0.628 1034 S N -1.057 114.800 115.700 0.260 0.000 2.242 1034 S HA -0.361 4.109 4.470 -0.000 0.000 0.233 1034 S C 0.671 175.331 174.600 0.101 0.000 1.183 1034 S CA 1.740 60.026 58.200 0.143 0.000 1.639 1034 S CB -1.386 61.888 63.200 0.124 0.000 2.135 1034 S HN 0.881 nan 8.310 nan 0.000 0.602 1035 R N 1.629 122.185 120.500 0.094 0.000 4.004 1035 R HA 0.575 4.915 4.340 -0.000 0.000 0.094 1035 R C -0.029 176.300 176.300 0.049 0.000 0.751 1035 R CA 0.158 56.297 56.100 0.065 0.000 0.578 1035 R CB -0.331 30.004 30.300 0.060 0.000 0.697 1035 R HN 0.691 nan 8.270 nan 0.000 0.350 1036 K N 0.000 120.423 120.400 0.039 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.295 56.287 0.013 0.000 0.838 1036 K CB 0.000 32.510 32.500 0.016 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543