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 2hqc_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQNKLQLAMP LLPQEVQQQG VSVEKSSSSF LMVVGVINTD GTMTQEDISD DATA SEQUENCE YVAANMKDAI SRTSGVGDVQ LFGSQYAMRI WMNPNELNKF QLTPVDVITA DATA SEQUENCE IKAQNAQVAA GQLGGTPPVK GQQLNASIIA QTRLTSTEEF GKILLKVNQD DATA SEQUENCE GSRVLLRDVA KIELGGENYD IIAEFNGQPA SGLGIKLATG ANALDTAAAI DATA SEQUENCE RAELAKMEPF FPSGLKIVYP YDTTPFVKIS IHEVVKTLVE AIILVFLVMY DATA SEQUENCE LFLQNFRATL IPTIAVPVVL LGTFAVLAAF GFSINTLTMF GMVLAIGLLV DATA SEQUENCE ADAIVVVENV ERVMAEEGLP PKEATRKSMG QIQGALVGIA MVLSAVFVPM DATA SEQUENCE AFFGGSTGAI YRQFSITIVS AMALSVLVAL ILTPALCATM LKXXXXXXXX DATA SEQUENCE XXXXXXFGWF NRMFEKSTHH YTDSVGGILR STGRYLVLYL IIVVGMAYLF DATA SEQUENCE VRLPSSFLPD EDQGVFMTMV QLPAGATQER TQKVLNEVTH YYLTKEKNNV DATA SEQUENCE ESVFAVNGFG FAGRGQNTGI AFVSLKDWAD RPGEENKVEA ITMRATRAFS DATA SEQUENCE QIKDAMVFAF NLPAIVELGT ATGFDFELID QAGLGHEKLT QARNQLLAEA DATA SEQUENCE AKHPDMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWTGMSYQE RLSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG 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 0.000 176.277 176.300 -0.038 0.000 2.045 7 D CA 0.000 53.974 54.000 -0.044 0.000 0.868 7 D CB 0.000 40.781 40.800 -0.032 0.000 0.688 8 R N 0.680 121.158 120.500 -0.038 0.000 3.212 8 R HA 0.767 5.106 4.340 -0.001 0.000 0.240 8 R C -1.921 174.376 176.300 -0.005 0.000 1.470 8 R CA -0.793 55.291 56.100 -0.026 0.000 1.041 8 R CB -1.091 29.193 30.300 -0.026 0.000 1.494 8 R HN 0.132 nan 8.270 nan 0.000 0.502 9 P HA 0.203 nan 4.420 nan 0.000 0.209 9 P C 1.098 178.436 177.300 0.063 0.000 1.158 9 P CA 0.290 63.378 63.100 -0.019 0.000 0.899 9 P CB 0.260 31.924 31.700 -0.060 0.000 0.756 10 I N -1.322 119.321 120.570 0.120 0.000 2.657 10 I HA -0.149 4.020 4.170 -0.001 0.000 0.261 10 I C 1.642 177.913 176.117 0.256 0.000 1.212 10 I CA 0.899 62.312 61.300 0.189 0.000 1.453 10 I CB -0.626 37.473 38.000 0.166 0.000 1.092 10 I HN -0.150 nan 8.210 nan 0.000 0.452 11 F N 0.749 120.741 119.950 0.070 0.000 2.069 11 F HA -0.009 4.517 4.527 -0.002 0.000 0.287 11 F C 2.457 178.323 175.800 0.110 0.000 1.369 11 F CA 1.583 59.627 58.000 0.074 0.000 1.125 11 F CB -0.693 38.333 39.000 0.042 0.000 0.947 11 F HN 0.122 nan 8.300 nan 0.000 0.508 12 A N 0.106 123.123 122.820 0.329 0.000 1.556 12 A HA -0.390 3.929 4.320 -0.001 0.000 0.339 12 A C 1.807 179.531 177.584 0.234 0.000 4.142 12 A CA 2.663 54.827 52.037 0.213 0.000 0.907 12 A CB -2.261 16.827 19.000 0.147 0.000 0.732 12 A HN 0.779 nan 8.150 nan 0.000 0.579 13 W N -0.138 121.178 121.300 0.026 0.000 2.374 13 W HA -0.041 4.618 4.660 -0.002 0.000 0.288 13 W C 2.461 178.959 176.519 -0.035 0.000 1.218 13 W CA 1.524 58.867 57.345 -0.003 0.000 1.245 13 W CB -0.860 28.602 29.460 0.002 0.000 1.126 13 W HN 0.243 nan 8.180 nan 0.000 0.545 14 V N -0.034 119.953 119.914 0.121 0.000 2.453 14 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 14 V C 2.042 178.101 176.094 -0.058 0.000 1.048 14 V CA 1.359 63.629 62.300 -0.050 0.000 1.049 14 V CB -0.715 30.996 31.823 -0.188 0.000 0.672 14 V HN -0.074 nan 8.190 nan 0.000 0.457 15 I N 0.934 121.499 120.570 -0.009 0.000 2.361 15 I HA -0.164 4.005 4.170 -0.001 0.000 0.251 15 I C 2.418 178.546 176.117 0.017 0.000 1.133 15 I CA 1.635 62.942 61.300 0.012 0.000 1.413 15 I CB -0.558 37.482 38.000 0.066 0.000 1.073 15 I HN 0.218 nan 8.210 nan 0.000 0.424 16 A N -0.119 122.729 122.820 0.046 0.000 2.119 16 A HA -0.001 4.318 4.320 -0.001 0.000 0.216 16 A C 2.177 179.733 177.584 -0.047 0.000 1.152 16 A CA 0.752 52.805 52.037 0.026 0.000 0.708 16 A CB -0.433 18.632 19.000 0.108 0.000 0.805 16 A HN 0.253 nan 8.150 nan 0.000 0.460 17 I N 0.417 120.943 120.570 -0.072 0.000 2.333 17 I HA -0.039 4.130 4.170 -0.001 0.000 0.246 17 I C 1.332 177.406 176.117 -0.072 0.000 1.106 17 I CA 0.724 61.961 61.300 -0.105 0.000 1.411 17 I CB -0.907 37.018 38.000 -0.126 0.000 1.082 17 I HN 0.237 nan 8.210 nan 0.000 0.420 18 I N 0.158 120.693 120.570 -0.057 0.000 3.378 18 I HA -0.021 4.148 4.170 -0.001 0.000 0.284 18 I C 1.564 177.659 176.117 -0.036 0.000 1.157 18 I CA -0.252 61.023 61.300 -0.041 0.000 1.193 18 I CB 0.208 38.187 38.000 -0.036 0.000 1.461 18 I HN 0.007 nan 8.210 nan 0.000 0.674 19 I N -0.953 119.598 120.570 -0.032 0.000 3.697 19 I HA -0.368 3.801 4.170 -0.001 0.000 0.183 19 I C 1.232 177.307 176.117 -0.070 0.000 0.635 19 I CA 1.665 62.937 61.300 -0.047 0.000 1.269 19 I CB -1.051 36.925 38.000 -0.040 0.000 1.207 19 I HN 0.638 nan 8.210 nan 0.000 0.264 20 M N -2.520 117.050 119.600 -0.050 0.000 2.627 20 M HA 0.157 4.637 4.480 -0.001 0.000 0.236 20 M C 1.684 177.981 176.300 -0.006 0.000 1.483 20 M CA 0.206 55.481 55.300 -0.041 0.000 1.139 20 M CB 0.267 32.837 32.600 -0.049 0.000 1.399 20 M HN 0.126 nan 8.290 nan 0.000 0.549 21 L N 0.167 121.380 121.223 -0.017 0.000 2.068 21 L HA 0.067 4.406 4.340 -0.001 0.000 0.204 21 L C 2.601 179.478 176.870 0.011 0.000 1.076 21 L CA 1.798 56.634 54.840 -0.006 0.000 0.753 21 L CB -1.208 40.836 42.059 -0.025 0.000 0.910 21 L HN 0.247 nan 8.230 nan 0.000 0.439 22 A N -0.271 122.550 122.820 0.002 0.000 2.015 22 A HA -0.035 4.284 4.320 -0.001 0.000 0.219 22 A C 2.309 179.913 177.584 0.033 0.000 1.163 22 A CA 1.407 53.451 52.037 0.012 0.000 0.646 22 A CB -0.837 18.163 19.000 0.000 0.000 0.806 22 A HN 0.443 nan 8.150 nan 0.000 0.448 23 G N -0.543 108.269 108.800 0.019 0.000 2.394 23 G HA2 0.104 4.063 3.960 -0.001 0.000 0.215 23 G HA3 0.104 4.063 3.960 -0.001 0.000 0.215 23 G C 1.408 176.431 174.900 0.205 0.000 1.165 23 G CA 1.031 46.146 45.100 0.025 0.000 0.784 23 G HN 0.660 nan 8.290 nan 0.000 0.535 24 G N 0.124 109.029 108.800 0.175 0.000 2.650 24 G HA2 0.026 3.985 3.960 -0.001 0.000 0.214 24 G HA3 0.026 3.985 3.960 -0.001 0.000 0.214 24 G C 1.478 176.450 174.900 0.119 0.000 1.136 24 G CA -0.046 45.179 45.100 0.209 0.000 0.789 24 G HN 0.299 nan 8.290 nan 0.000 0.536 25 L N 0.624 121.901 121.223 0.089 0.000 2.291 25 L HA 0.149 4.488 4.340 -0.001 0.000 0.214 25 L C 2.754 179.662 176.870 0.064 0.000 1.120 25 L CA 1.452 56.325 54.840 0.055 0.000 0.799 25 L CB -0.503 41.577 42.059 0.035 0.000 0.925 25 L HN 0.331 nan 8.230 nan 0.000 0.446 26 A N -1.361 121.527 122.820 0.113 0.000 2.238 26 A HA 0.007 4.326 4.320 -0.001 0.000 0.210 26 A C 1.935 179.575 177.584 0.093 0.000 1.179 26 A CA 0.147 52.255 52.037 0.119 0.000 0.827 26 A CB -0.084 19.015 19.000 0.165 0.000 0.856 26 A HN 0.258 nan 8.150 nan 0.000 0.488 27 I N -0.594 120.009 120.570 0.055 0.000 3.419 27 I HA 0.090 4.259 4.170 -0.001 0.000 0.286 27 I C 1.260 177.322 176.117 -0.091 0.000 1.268 27 I CA 0.388 61.596 61.300 -0.152 0.000 1.414 27 I CB 0.133 37.903 38.000 -0.385 0.000 1.074 27 I HN 0.145 nan 8.210 nan 0.000 0.457 28 L N 0.736 121.943 121.223 -0.027 0.000 2.700 28 L HA -0.083 4.256 4.340 -0.001 0.000 0.240 28 L C 1.672 178.527 176.870 -0.025 0.000 1.162 28 L CA 1.023 55.849 54.840 -0.024 0.000 0.874 28 L CB -1.071 40.984 42.059 -0.006 0.000 1.001 28 L HN 0.238 nan 8.230 nan 0.000 0.447 29 K N 0.778 121.160 120.400 -0.029 0.000 2.525 29 K HA 0.033 4.352 4.320 -0.001 0.000 0.192 29 K C 0.831 177.408 176.600 -0.039 0.000 1.029 29 K CA -0.114 56.159 56.287 -0.024 0.000 1.029 29 K CB -0.405 32.090 32.500 -0.008 0.000 0.814 29 K HN 0.414 nan 8.250 nan 0.000 0.503 30 L N -0.273 120.917 121.223 -0.055 0.000 2.578 30 L HA 0.059 4.398 4.340 -0.001 0.000 0.279 30 L C -1.525 175.318 176.870 -0.044 0.000 1.227 30 L CA -0.960 53.845 54.840 -0.058 0.000 0.900 30 L CB -0.038 41.983 42.059 -0.063 0.000 1.144 30 L HN -0.181 nan 8.230 nan 0.000 0.496 31 P HA 0.044 nan 4.420 nan 0.000 0.214 31 P C 0.068 177.334 177.300 -0.056 0.000 1.162 31 P CA 0.206 63.273 63.100 -0.055 0.000 0.874 31 P CB 0.098 31.764 31.700 -0.056 0.000 0.784 32 V N -1.805 118.082 119.914 -0.044 0.000 3.524 32 V HA -0.111 4.008 4.120 -0.001 0.000 0.504 32 V C 0.457 176.523 176.094 -0.047 0.000 0.682 32 V CA -0.395 61.884 62.300 -0.034 0.000 2.055 32 V CB -1.209 30.597 31.823 -0.028 0.000 2.484 32 V HN 0.520 nan 8.190 nan 0.000 0.508 33 A N 4.739 127.538 122.820 -0.035 0.000 2.366 33 A HA 0.515 4.834 4.320 -0.001 0.000 0.250 33 A C 1.003 178.535 177.584 -0.087 0.000 1.099 33 A CA 0.777 52.778 52.037 -0.061 0.000 0.794 33 A CB 0.388 19.376 19.000 -0.021 0.000 1.056 33 A HN 1.203 nan 8.150 nan 0.000 0.499 34 Q N -0.113 119.572 119.800 -0.191 0.000 1.961 34 Q HA -0.009 4.330 4.340 -0.001 0.000 0.197 34 Q C 0.127 176.034 176.000 -0.155 0.000 0.977 34 Q CA 0.828 56.463 55.803 -0.280 0.000 0.830 34 Q CB -0.451 27.890 28.738 -0.661 0.000 0.896 34 Q HN 0.740 nan 8.270 nan 0.000 0.437 35 Y N 1.757 122.090 120.300 0.054 0.000 2.230 35 Y HA 0.178 4.727 4.550 -0.001 0.000 0.354 35 Y C -1.694 174.229 175.900 0.039 0.000 1.343 35 Y CA -2.104 56.030 58.100 0.057 0.000 1.693 35 Y CB -0.409 38.082 38.460 0.051 0.000 1.553 35 Y HN 0.123 nan 8.280 nan 0.000 0.599 36 P HA -0.241 nan 4.420 nan 0.000 0.075 36 P C -0.554 176.801 177.300 0.092 0.000 0.861 36 P CA 0.645 63.817 63.100 0.119 0.000 1.017 36 P CB -0.538 31.213 31.700 0.086 0.000 1.762 37 T N 2.710 117.305 114.554 0.069 0.000 2.769 37 T HA 0.329 4.678 4.350 -0.001 0.000 0.293 37 T C 1.019 175.715 174.700 -0.007 0.000 0.931 37 T CA -0.338 61.786 62.100 0.040 0.000 1.139 37 T CB -0.382 68.514 68.868 0.048 0.000 0.881 37 T HN 0.203 nan 8.240 nan 0.000 0.532 38 I N 3.533 124.084 120.570 -0.033 0.000 3.531 38 I HA 0.590 4.759 4.170 -0.001 0.000 0.341 38 I C 0.480 176.592 176.117 -0.008 0.000 1.550 38 I CA -0.888 60.388 61.300 -0.041 0.000 1.087 38 I CB 0.158 38.113 38.000 -0.075 0.000 1.408 38 I HN 0.526 nan 8.210 nan 0.000 0.484 39 A N 1.851 124.677 122.820 0.011 0.000 2.249 39 A HA 0.809 5.129 4.320 -0.001 0.000 0.314 39 A C -2.571 175.044 177.584 0.051 0.000 1.290 39 A CA -1.480 50.575 52.037 0.030 0.000 0.893 39 A CB 0.055 19.074 19.000 0.031 0.000 1.165 39 A HN 0.168 nan 8.150 nan 0.000 0.530 40 P HA 0.155 nan 4.420 nan 0.000 0.263 40 P C -2.392 174.953 177.300 0.076 0.000 1.247 40 P CA -0.641 62.504 63.100 0.074 0.000 0.876 40 P CB -0.058 31.684 31.700 0.071 0.000 0.928 41 P HA 0.042 nan 4.420 nan 0.000 0.266 41 P C -0.664 176.738 177.300 0.171 0.000 1.195 41 P CA 0.266 63.436 63.100 0.117 0.000 0.768 41 P CB 0.697 32.453 31.700 0.094 0.000 0.838 42 A N 3.468 126.362 122.820 0.123 0.000 2.287 42 A HA 0.529 4.848 4.320 -0.001 0.000 0.317 42 A C -0.578 177.085 177.584 0.132 0.000 1.220 42 A CA -0.625 51.483 52.037 0.118 0.000 0.835 42 A CB 0.814 19.859 19.000 0.075 0.000 1.180 42 A HN 0.331 nan 8.150 nan 0.000 0.500 43 V N 3.042 123.066 119.914 0.185 0.000 2.378 43 V HA 0.498 4.617 4.120 -0.001 0.000 0.288 43 V C -0.006 176.153 176.094 0.108 0.000 1.016 43 V CA -0.247 62.150 62.300 0.162 0.000 0.840 43 V CB 1.616 33.598 31.823 0.265 0.000 0.994 43 V HN 0.928 nan 8.190 nan 0.000 0.431 44 T N 6.371 120.967 114.554 0.071 0.000 2.823 44 T HA 0.710 5.059 4.350 -0.001 0.000 0.279 44 T C -0.313 174.410 174.700 0.038 0.000 0.998 44 T CA -0.223 61.907 62.100 0.050 0.000 0.994 44 T CB 1.312 70.207 68.868 0.045 0.000 0.960 44 T HN 0.411 nan 8.240 nan 0.000 0.448 45 I N 2.672 123.260 120.570 0.030 0.000 2.378 45 I HA 0.482 4.651 4.170 -0.001 0.000 0.291 45 I C 0.207 176.333 176.117 0.015 0.000 0.992 45 I CA -0.748 60.564 61.300 0.020 0.000 1.154 45 I CB 1.679 39.689 38.000 0.016 0.000 1.315 45 I HN 0.602 nan 8.210 nan 0.000 0.448 46 S N 4.480 120.185 115.700 0.009 0.000 2.596 46 S HA 0.883 5.352 4.470 -0.001 0.000 0.318 46 S C -0.535 174.065 174.600 0.000 0.000 1.097 46 S CA -0.684 57.520 58.200 0.006 0.000 1.080 46 S CB 1.674 64.877 63.200 0.004 0.000 0.991 46 S HN 0.784 nan 8.310 nan 0.000 0.471 47 A N 2.042 124.865 122.820 0.005 0.000 2.337 47 A HA 0.908 5.227 4.320 -0.001 0.000 0.331 47 A C -0.160 177.435 177.584 0.018 0.000 1.137 47 A CA -0.911 51.127 52.037 0.002 0.000 0.807 47 A CB 1.831 20.833 19.000 0.004 0.000 1.250 47 A HN 1.076 nan 8.150 nan 0.000 0.468 48 S N 0.460 116.171 115.700 0.018 0.000 2.775 48 S HA 0.414 4.883 4.470 -0.001 0.000 0.277 48 S C -1.633 173.021 174.600 0.089 0.000 1.156 48 S CA -0.277 57.954 58.200 0.052 0.000 1.081 48 S CB 0.238 63.458 63.200 0.033 0.000 1.054 48 S HN 0.614 nan 8.310 nan 0.000 0.482 49 Y N 7.105 127.408 120.300 0.005 0.000 2.477 49 Y HA 0.387 4.936 4.550 -0.001 0.000 0.349 49 Y C -2.096 173.823 175.900 0.031 0.000 0.977 49 Y CA -2.504 55.605 58.100 0.015 0.000 1.214 49 Y CB 0.965 39.432 38.460 0.011 0.000 1.124 49 Y HN 0.451 nan 8.280 nan 0.000 0.521 50 P HA 0.128 nan 4.420 nan 0.000 0.276 50 P C 0.603 178.040 177.300 0.228 0.000 1.253 50 P CA 1.060 64.309 63.100 0.248 0.000 0.766 50 P CB 1.271 33.117 31.700 0.243 0.000 0.845 51 G N 2.628 111.501 108.800 0.122 0.000 2.268 51 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.240 51 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.240 51 G C 0.404 175.292 174.900 -0.020 0.000 1.010 51 G CA 0.073 45.217 45.100 0.073 0.000 0.618 51 G HN 0.866 nan 8.290 nan 0.000 0.516 52 A N 0.943 123.688 122.820 -0.126 0.000 2.407 52 A HA 0.563 4.883 4.320 -0.001 0.000 0.248 52 A C 0.574 178.064 177.584 -0.158 0.000 1.082 52 A CA 0.729 52.581 52.037 -0.308 0.000 0.785 52 A CB 0.057 18.564 19.000 -0.821 0.000 1.020 52 A HN 1.057 nan 8.150 nan 0.000 0.489 53 D N 0.796 121.110 120.400 -0.143 0.000 2.384 53 D HA 0.423 5.062 4.640 -0.001 0.000 0.244 53 D C 1.061 177.324 176.300 -0.062 0.000 1.251 53 D CA 0.077 54.032 54.000 -0.074 0.000 0.961 53 D CB 0.691 41.455 40.800 -0.060 0.000 1.116 53 D HN 0.424 nan 8.370 nan 0.000 0.484 54 A N -0.183 122.619 122.820 -0.030 0.000 1.969 54 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 54 A C 2.017 179.579 177.584 -0.036 0.000 1.169 54 A CA 1.631 53.654 52.037 -0.025 0.000 0.635 54 A CB -0.810 18.183 19.000 -0.012 0.000 0.810 54 A HN 0.642 nan 8.150 nan 0.000 0.445 55 K N -0.338 120.041 120.400 -0.036 0.000 2.103 55 K HA -0.116 4.203 4.320 -0.001 0.000 0.204 55 K C 2.170 178.747 176.600 -0.040 0.000 1.052 55 K CA 1.788 58.054 56.287 -0.035 0.000 0.945 55 K CB -0.238 32.251 32.500 -0.019 0.000 0.722 55 K HN 0.640 nan 8.250 nan 0.000 0.443 56 T N -0.873 113.643 114.554 -0.063 0.000 2.701 56 T HA -0.127 4.222 4.350 -0.001 0.000 0.263 56 T C 1.967 176.640 174.700 -0.044 0.000 1.040 56 T CA 1.380 63.432 62.100 -0.080 0.000 1.147 56 T CB -0.979 67.785 68.868 -0.175 0.000 0.865 56 T HN 0.113 nan 8.240 nan 0.000 0.426 57 V N 0.279 120.166 119.914 -0.045 0.000 2.867 57 V HA -0.107 4.013 4.120 -0.001 0.000 0.260 57 V C 2.481 178.591 176.094 0.025 0.000 1.099 57 V CA 1.747 64.063 62.300 0.025 0.000 1.122 57 V CB -1.212 30.631 31.823 0.033 0.000 0.708 57 V HN 0.532 nan 8.190 nan 0.000 0.490 58 Q N 0.265 120.064 119.800 -0.001 0.000 2.062 58 Q HA -0.169 4.170 4.340 -0.001 0.000 0.196 58 Q C 1.883 177.885 176.000 0.003 0.000 0.967 58 Q CA 1.920 57.719 55.803 -0.006 0.000 0.832 58 Q CB 0.012 28.733 28.738 -0.028 0.000 0.899 58 Q HN 0.695 nan 8.270 nan 0.000 0.442 59 D N -0.748 119.654 120.400 0.003 0.000 2.194 59 D HA -0.074 4.565 4.640 -0.001 0.000 0.204 59 D C 1.517 177.834 176.300 0.027 0.000 0.964 59 D CA 1.144 55.149 54.000 0.009 0.000 0.846 59 D CB -0.075 40.727 40.800 0.004 0.000 0.962 59 D HN 0.158 nan 8.370 nan 0.000 0.490 60 T N -0.891 113.693 114.554 0.051 0.000 3.044 60 T HA 0.046 4.395 4.350 -0.001 0.000 0.255 60 T C 1.604 176.354 174.700 0.084 0.000 1.073 60 T CA 1.031 63.184 62.100 0.089 0.000 1.125 60 T CB 0.227 69.198 68.868 0.172 0.000 0.908 60 T HN 0.062 nan 8.240 nan 0.000 0.480 61 V N -2.640 117.320 119.914 0.076 0.000 3.102 61 V HA 0.248 4.367 4.120 -0.001 0.000 0.225 61 V C 2.407 178.518 176.094 0.028 0.000 1.301 61 V CA 0.690 63.021 62.300 0.052 0.000 1.308 61 V CB -0.706 31.157 31.823 0.067 0.000 1.129 61 V HN 0.153 nan 8.190 nan 0.000 0.502 62 T N 0.744 115.314 114.554 0.026 0.000 2.652 62 T HA -0.250 4.099 4.350 -0.001 0.000 0.267 62 T C 1.975 176.676 174.700 0.002 0.000 1.039 62 T CA 2.612 64.719 62.100 0.011 0.000 1.153 62 T CB -0.424 68.448 68.868 0.006 0.000 0.863 62 T HN 0.539 nan 8.240 nan 0.000 0.428 63 Q N 0.117 119.918 119.800 0.002 0.000 2.224 63 Q HA -0.038 4.301 4.340 -0.001 0.000 0.203 63 Q C 2.550 178.548 176.000 -0.003 0.000 0.970 63 Q CA 0.876 56.676 55.803 -0.004 0.000 0.865 63 Q CB -0.221 28.515 28.738 -0.003 0.000 0.922 63 Q HN 0.384 nan 8.270 nan 0.000 0.445 64 V N 0.762 120.677 119.914 0.003 0.000 2.453 64 V HA -0.217 3.902 4.120 -0.001 0.000 0.247 64 V C 2.085 178.177 176.094 -0.003 0.000 1.048 64 V CA 1.064 63.365 62.300 0.001 0.000 1.049 64 V CB -0.361 31.465 31.823 0.005 0.000 0.672 64 V HN 0.330 nan 8.190 nan 0.000 0.457 65 I N 0.340 120.908 120.570 -0.003 0.000 2.233 65 I HA -0.150 4.019 4.170 -0.001 0.000 0.243 65 I C 2.507 178.617 176.117 -0.011 0.000 1.093 65 I CA 1.416 62.712 61.300 -0.006 0.000 1.380 65 I CB -1.320 36.678 38.000 -0.003 0.000 1.067 65 I HN 0.409 nan 8.210 nan 0.000 0.413 66 E N 0.309 120.499 120.200 -0.016 0.000 2.160 66 E HA -0.282 4.067 4.350 -0.001 0.000 0.195 66 E C 2.105 178.689 176.600 -0.027 0.000 0.991 66 E CA 0.955 57.339 56.400 -0.027 0.000 0.810 66 E CB -0.102 29.578 29.700 -0.033 0.000 0.742 66 E HN 0.395 nan 8.360 nan 0.000 0.466 67 Q N 0.667 120.456 119.800 -0.019 0.000 2.224 67 Q HA -0.098 4.241 4.340 -0.001 0.000 0.203 67 Q C 0.938 176.929 176.000 -0.014 0.000 0.970 67 Q CA 1.202 56.996 55.803 -0.016 0.000 0.865 67 Q CB 0.114 28.845 28.738 -0.011 0.000 0.922 67 Q HN 0.134 nan 8.270 nan 0.000 0.445 68 N N -1.341 117.352 118.700 -0.012 0.000 2.322 68 N HA 0.074 4.813 4.740 -0.001 0.000 0.194 68 N C -0.654 174.851 175.510 -0.008 0.000 1.126 68 N CA -0.007 53.038 53.050 -0.008 0.000 0.845 68 N CB 0.409 38.893 38.487 -0.006 0.000 0.976 68 N HN 0.134 nan 8.380 nan 0.000 0.475 69 M N 1.327 120.918 119.600 -0.015 0.000 3.586 69 M HA 0.204 4.683 4.480 -0.001 0.000 0.225 69 M C -0.964 175.324 176.300 -0.020 0.000 1.428 69 M CA 0.128 55.418 55.300 -0.018 0.000 1.613 69 M CB -1.247 31.332 32.600 -0.035 0.000 1.063 69 M HN 0.011 nan 8.290 nan 0.000 0.593 70 N N 0.027 118.722 118.700 -0.008 0.000 2.346 70 N HA 0.637 5.376 4.740 -0.001 0.000 0.289 70 N C 0.626 176.139 175.510 0.006 0.000 1.027 70 N CA -0.121 52.925 53.050 -0.006 0.000 0.864 70 N CB 1.861 40.343 38.487 -0.007 0.000 1.370 70 N HN 0.594 nan 8.380 nan 0.000 0.481 71 G N 0.810 109.617 108.800 0.010 0.000 2.131 71 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.223 71 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.223 71 G C -0.387 174.536 174.900 0.038 0.000 0.990 71 G CA -0.437 44.675 45.100 0.020 0.000 0.671 71 G HN 0.474 nan 8.290 nan 0.000 0.521 72 I N 1.847 122.449 120.570 0.054 0.000 2.396 72 I HA 0.295 4.464 4.170 -0.001 0.000 0.289 72 I C 0.299 176.500 176.117 0.141 0.000 1.056 72 I CA -1.002 60.365 61.300 0.112 0.000 1.365 72 I CB 0.546 38.640 38.000 0.156 0.000 1.407 72 I HN -0.045 nan 8.210 nan 0.000 0.509 73 D N 7.203 127.685 120.400 0.136 0.000 2.488 73 D HA -0.000 4.639 4.640 -0.001 0.000 0.238 73 D C 0.832 177.261 176.300 0.216 0.000 1.138 73 D CA 0.592 54.665 54.000 0.121 0.000 0.873 73 D CB 0.379 41.216 40.800 0.061 0.000 1.183 73 D HN 0.722 nan 8.370 nan 0.000 0.458 74 N N 0.103 118.893 118.700 0.151 0.000 2.213 74 N HA -0.312 4.427 4.740 -0.001 0.000 0.179 74 N C 0.442 176.009 175.510 0.093 0.000 0.626 74 N CA 1.273 54.419 53.050 0.161 0.000 1.436 74 N CB -0.837 37.795 38.487 0.242 0.000 1.439 74 N HN 0.635 nan 8.380 nan 0.000 0.407 75 L N 0.227 121.482 121.223 0.054 0.000 0.626 75 L HA -0.235 4.104 4.340 -0.001 0.000 0.357 75 L C 0.605 177.323 176.870 -0.253 0.000 1.004 75 L CA 0.945 55.562 54.840 -0.371 0.000 1.223 75 L CB -0.055 41.810 42.059 -0.323 0.000 0.120 75 L HN 0.705 nan 8.230 nan 0.000 0.114 76 M N 3.064 122.423 119.600 -0.401 0.000 2.999 76 M HA 0.265 4.744 4.480 -0.001 0.000 0.246 76 M C -0.383 175.820 176.300 -0.162 0.000 1.478 76 M CA 0.894 56.028 55.300 -0.277 0.000 1.243 76 M CB 0.446 32.791 32.600 -0.425 0.000 1.213 76 M HN 0.714 nan 8.290 nan 0.000 0.564 77 Y N -2.228 117.977 120.300 -0.159 0.000 2.744 77 Y HA 0.659 5.208 4.550 -0.001 0.000 0.330 77 Y C -1.016 174.726 175.900 -0.263 0.000 1.263 77 Y CA -1.759 56.213 58.100 -0.213 0.000 1.065 77 Y CB 1.003 39.410 38.460 -0.087 0.000 1.306 77 Y HN 0.035 nan 8.280 nan 0.000 0.459 78 M N 2.870 122.404 119.600 -0.109 0.000 2.182 78 M HA 0.565 5.044 4.480 -0.001 0.000 0.266 78 M C -1.775 174.463 176.300 -0.104 0.000 0.989 78 M CA -0.331 54.896 55.300 -0.122 0.000 1.003 78 M CB 1.586 34.084 32.600 -0.169 0.000 1.812 78 M HN 0.913 nan 8.290 nan 0.000 0.472 79 S N 2.660 118.382 115.700 0.036 0.000 2.568 79 S HA 0.919 5.388 4.470 -0.001 0.000 0.302 79 S C -0.704 173.921 174.600 0.042 0.000 1.082 79 S CA -0.630 57.618 58.200 0.079 0.000 1.009 79 S CB 2.149 65.445 63.200 0.159 0.000 1.069 79 S HN 0.650 nan 8.310 nan 0.000 0.500 80 S N 1.076 116.798 115.700 0.037 0.000 2.595 80 S HA 0.619 5.088 4.470 -0.001 0.000 0.281 80 S C -1.184 173.427 174.600 0.020 0.000 1.117 80 S CA -0.948 57.264 58.200 0.020 0.000 0.873 80 S CB 1.300 64.503 63.200 0.004 0.000 1.108 80 S HN 0.746 nan 8.310 nan 0.000 0.477 81 N N 2.034 120.743 118.700 0.015 0.000 2.711 81 N HA 0.137 4.876 4.740 -0.001 0.000 0.263 81 N C -0.980 174.534 175.510 0.006 0.000 1.667 81 N CA -0.212 52.845 53.050 0.012 0.000 0.785 81 N CB 1.290 39.790 38.487 0.022 0.000 1.231 81 N HN 0.634 nan 8.380 nan 0.000 0.503 82 S N 0.038 115.736 115.700 -0.003 0.000 2.465 82 S HA 0.194 4.663 4.470 -0.001 0.000 0.307 82 S C 0.078 174.674 174.600 -0.006 0.000 1.187 82 S CA -0.407 57.790 58.200 -0.004 0.000 1.141 82 S CB 0.791 63.983 63.200 -0.013 0.000 1.108 82 S HN 0.129 nan 8.310 nan 0.000 0.525 83 D N 2.535 122.937 120.400 0.004 0.000 2.340 83 D HA 0.266 4.905 4.640 -0.001 0.000 0.251 83 D C 0.769 177.073 176.300 0.008 0.000 1.080 83 D CA -0.608 53.396 54.000 0.007 0.000 0.971 83 D CB 1.604 42.408 40.800 0.008 0.000 1.137 83 D HN 0.482 nan 8.370 nan 0.000 0.475 84 S N -0.547 115.162 115.700 0.015 0.000 2.453 84 S HA -0.104 4.365 4.470 -0.001 0.000 0.231 84 S C 1.841 176.453 174.600 0.020 0.000 1.005 84 S CA 1.012 59.223 58.200 0.017 0.000 0.949 84 S CB -0.051 63.169 63.200 0.034 0.000 0.774 84 S HN 0.622 nan 8.310 nan 0.000 0.510 85 T N -0.859 113.709 114.554 0.022 0.000 3.098 85 T HA 0.185 4.534 4.350 -0.001 0.000 0.266 85 T C 1.388 176.107 174.700 0.030 0.000 1.145 85 T CA 0.845 62.960 62.100 0.025 0.000 1.092 85 T CB -0.421 68.455 68.868 0.013 0.000 0.908 85 T HN 0.534 nan 8.240 nan 0.000 0.526 86 G N 1.377 110.193 108.800 0.027 0.000 2.203 86 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.231 86 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.231 86 G C 0.022 174.962 174.900 0.067 0.000 1.058 86 G CA 0.006 45.135 45.100 0.048 0.000 0.781 86 G HN 1.227 nan 8.290 nan 0.000 0.496 87 T N -3.391 111.187 114.554 0.040 0.000 2.903 87 T HA 0.815 5.165 4.350 -0.001 0.000 0.299 87 T C -0.747 173.967 174.700 0.023 0.000 1.093 87 T CA -0.449 61.670 62.100 0.031 0.000 1.002 87 T CB 3.103 71.977 68.868 0.009 0.000 1.127 87 T HN 1.605 nan 8.240 nan 0.000 0.488 88 V N 1.151 121.078 119.914 0.022 0.000 2.891 88 V HA 0.614 4.733 4.120 -0.001 0.000 0.304 88 V C -2.064 174.039 176.094 0.015 0.000 1.171 88 V CA -0.551 61.760 62.300 0.017 0.000 0.943 88 V CB 2.318 34.153 31.823 0.020 0.000 1.037 88 V HN 1.056 nan 8.190 nan 0.000 0.427 89 Q N 5.262 125.072 119.800 0.016 0.000 2.333 89 Q HA 0.716 5.055 4.340 -0.001 0.000 0.267 89 Q C -1.316 174.698 176.000 0.022 0.000 1.012 89 Q CA -0.246 55.568 55.803 0.020 0.000 0.824 89 Q CB 2.562 31.315 28.738 0.024 0.000 1.290 89 Q HN 0.715 nan 8.270 nan 0.000 0.449 90 I N 1.681 122.263 120.570 0.020 0.000 2.354 90 I HA 0.283 4.452 4.170 -0.001 0.000 0.286 90 I C -0.520 175.609 176.117 0.020 0.000 1.007 90 I CA -0.187 61.122 61.300 0.015 0.000 1.167 90 I CB 1.864 39.865 38.000 0.003 0.000 1.320 90 I HN 0.473 nan 8.210 nan 0.000 0.458 91 T N 7.284 121.855 114.554 0.028 0.000 2.781 91 T HA 0.473 4.822 4.350 -0.001 0.000 0.305 91 T C -0.103 174.587 174.700 -0.017 0.000 1.001 91 T CA -0.419 61.700 62.100 0.032 0.000 0.950 91 T CB 0.134 69.040 68.868 0.063 0.000 0.955 91 T HN 0.108 nan 8.240 nan 0.000 0.471 92 L N 4.139 125.329 121.223 -0.054 0.000 2.278 92 L HA 0.308 4.647 4.340 -0.001 0.000 0.287 92 L C 0.817 177.469 176.870 -0.363 0.000 1.072 92 L CA 0.149 54.841 54.840 -0.247 0.000 0.819 92 L CB 0.544 42.459 42.059 -0.241 0.000 1.176 92 L HN 0.567 nan 8.230 nan 0.000 0.435 93 T N 3.925 118.155 114.554 -0.539 0.000 2.799 93 T HA 0.581 4.930 4.350 -0.001 0.000 0.286 93 T C -0.191 174.111 174.700 -0.663 0.000 0.973 93 T CA -0.203 61.600 62.100 -0.494 0.000 1.035 93 T CB 0.480 68.952 68.868 -0.660 0.000 0.932 93 T HN 0.049 nan 8.240 nan 0.000 0.469 94 F N 0.683 120.533 119.950 -0.166 0.000 2.585 94 F HA 0.457 4.983 4.527 -0.001 0.000 0.350 94 F C 0.838 176.595 175.800 -0.073 0.000 1.074 94 F CA -1.399 56.537 58.000 -0.108 0.000 1.032 94 F CB 0.769 39.733 39.000 -0.059 0.000 1.330 94 F HN 0.311 nan 8.300 nan 0.000 0.495 95 E N 0.011 120.322 120.200 0.184 0.000 2.360 95 E HA 0.030 4.379 4.350 -0.001 0.000 0.269 95 E C -0.244 176.426 176.600 0.117 0.000 1.022 95 E CA -0.242 56.229 56.400 0.118 0.000 0.887 95 E CB 0.977 30.744 29.700 0.111 0.000 0.990 95 E HN 0.418 nan 8.360 nan 0.000 0.426 96 S N 1.955 117.719 115.700 0.107 0.000 2.887 96 S HA 0.178 4.647 4.470 -0.001 0.000 0.337 96 S C 0.866 175.523 174.600 0.096 0.000 1.209 96 S CA 0.900 59.159 58.200 0.098 0.000 1.186 96 S CB -0.898 62.364 63.200 0.103 0.000 0.925 96 S HN 0.748 nan 8.310 nan 0.000 0.522 97 G N 3.987 112.832 108.800 0.076 0.000 2.303 97 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.260 97 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.260 97 G C 0.290 175.223 174.900 0.055 0.000 1.106 97 G CA 0.133 45.272 45.100 0.065 0.000 0.900 97 G HN 0.774 nan 8.290 nan 0.000 0.495 98 T N -0.711 113.867 114.554 0.039 0.000 3.379 98 T HA 0.386 4.735 4.350 -0.001 0.000 0.194 98 T C 0.379 175.060 174.700 -0.031 0.000 0.806 98 T CA 1.311 63.416 62.100 0.008 0.000 2.531 98 T CB 0.221 69.082 68.868 -0.011 0.000 1.786 98 T HN 0.428 nan 8.240 nan 0.000 0.360 99 D N -0.449 119.891 120.400 -0.099 0.000 2.365 99 D HA 0.531 5.170 4.640 -0.001 0.000 0.235 99 D C 0.405 176.614 176.300 -0.150 0.000 1.368 99 D CA -0.183 53.760 54.000 -0.096 0.000 1.001 99 D CB 0.865 41.617 40.800 -0.080 0.000 1.364 99 D HN 0.359 nan 8.370 nan 0.000 0.577 100 A N 2.999 125.757 122.820 -0.102 0.000 2.139 100 A HA -0.162 4.157 4.320 -0.001 0.000 0.221 100 A C 1.476 178.998 177.584 -0.103 0.000 1.159 100 A CA 1.387 53.363 52.037 -0.101 0.000 0.662 100 A CB 0.011 18.985 19.000 -0.044 0.000 0.796 100 A HN 0.546 nan 8.150 nan 0.000 0.463 101 D N -1.530 118.816 120.400 -0.090 0.000 2.355 101 D HA 0.099 4.738 4.640 -0.001 0.000 0.206 101 D C 1.432 177.677 176.300 -0.092 0.000 1.010 101 D CA 0.418 54.373 54.000 -0.074 0.000 0.875 101 D CB 0.167 40.939 40.800 -0.047 0.000 0.966 101 D HN 0.429 nan 8.370 nan 0.000 0.512 102 I N 0.638 121.134 120.570 -0.123 0.000 3.265 102 I HA 0.079 4.248 4.170 -0.001 0.000 0.282 102 I C 1.950 177.945 176.117 -0.204 0.000 1.207 102 I CA 0.351 61.575 61.300 -0.127 0.000 1.449 102 I CB 0.220 38.162 38.000 -0.097 0.000 1.121 102 I HN -0.168 nan 8.210 nan 0.000 0.442 103 A N -0.430 122.173 122.820 -0.360 0.000 2.206 103 A HA -0.133 4.186 4.320 -0.001 0.000 0.211 103 A C 2.073 179.415 177.584 -0.403 0.000 1.158 103 A CA 1.238 52.862 52.037 -0.688 0.000 0.761 103 A CB -0.442 17.658 19.000 -1.500 0.000 0.801 103 A HN 0.516 nan 8.150 nan 0.000 0.473 104 Q N 0.242 119.913 119.800 -0.214 0.000 2.033 104 Q HA -0.090 4.249 4.340 -0.001 0.000 0.196 104 Q C 1.833 177.803 176.000 -0.049 0.000 0.970 104 Q CA 2.342 58.090 55.803 -0.092 0.000 0.828 104 Q CB -0.457 28.240 28.738 -0.069 0.000 0.895 104 Q HN 0.549 nan 8.270 nan 0.000 0.440 105 V N -1.153 118.727 119.914 -0.057 0.000 2.548 105 V HA -0.161 3.958 4.120 -0.001 0.000 0.249 105 V C 1.958 178.042 176.094 -0.017 0.000 1.055 105 V CA 1.705 63.986 62.300 -0.032 0.000 1.065 105 V CB -0.911 30.892 31.823 -0.033 0.000 0.681 105 V HN 0.341 nan 8.190 nan 0.000 0.462 106 Q N 0.597 120.385 119.800 -0.019 0.000 2.046 106 Q HA -0.075 4.264 4.340 -0.001 0.000 0.200 106 Q C 2.496 178.517 176.000 0.036 0.000 0.975 106 Q CA 1.913 57.722 55.803 0.010 0.000 0.836 106 Q CB -0.420 28.330 28.738 0.019 0.000 0.896 106 Q HN 0.604 nan 8.270 nan 0.000 0.428 107 V N 1.261 121.212 119.914 0.062 0.000 2.392 107 V HA -0.263 3.856 4.120 -0.001 0.000 0.249 107 V C 2.365 178.482 176.094 0.039 0.000 1.059 107 V CA 1.693 64.040 62.300 0.079 0.000 1.051 107 V CB -0.563 31.336 31.823 0.126 0.000 0.658 107 V HN 0.376 nan 8.190 nan 0.000 0.455 108 Q N 0.203 120.017 119.800 0.022 0.000 2.119 108 Q HA -0.126 4.213 4.340 -0.001 0.000 0.201 108 Q C 1.714 177.717 176.000 0.005 0.000 0.972 108 Q CA 1.228 57.037 55.803 0.009 0.000 0.847 108 Q CB -0.242 28.496 28.738 0.001 0.000 0.903 108 Q HN 0.621 nan 8.270 nan 0.000 0.433 109 N N 0.036 118.739 118.700 0.006 0.000 2.383 109 N HA -0.009 4.730 4.740 -0.001 0.000 0.192 109 N C 0.894 176.407 175.510 0.006 0.000 1.141 109 N CA 0.239 53.290 53.050 0.003 0.000 0.851 109 N CB 0.394 38.881 38.487 0.000 0.000 0.976 109 N HN 0.108 nan 8.380 nan 0.000 0.465 110 K N 0.075 120.481 120.400 0.011 0.000 2.276 110 K HA 0.142 4.461 4.320 -0.001 0.000 0.198 110 K C 1.659 178.261 176.600 0.004 0.000 1.052 110 K CA 0.047 56.340 56.287 0.010 0.000 0.984 110 K CB -0.133 32.377 32.500 0.017 0.000 0.836 110 K HN 0.095 nan 8.250 nan 0.000 0.490 111 L N 1.711 122.937 121.223 0.005 0.000 2.201 111 L HA -0.069 4.270 4.340 -0.001 0.000 0.212 111 L C 1.914 178.780 176.870 -0.006 0.000 1.105 111 L CA 1.682 56.521 54.840 -0.001 0.000 0.775 111 L CB -0.273 41.786 42.059 -0.000 0.000 0.913 111 L HN -0.013 nan 8.230 nan 0.000 0.440 112 Q N -0.456 119.341 119.800 -0.005 0.000 2.515 112 Q HA 0.044 4.383 4.340 -0.001 0.000 0.212 112 Q C 1.083 177.078 176.000 -0.008 0.000 0.970 112 Q CA 1.040 56.838 55.803 -0.008 0.000 0.941 112 Q CB -0.163 28.570 28.738 -0.007 0.000 0.998 112 Q HN 0.749 nan 8.270 nan 0.000 0.518 113 L N -4.660 116.559 121.223 -0.007 0.000 2.966 113 L HA 0.582 4.921 4.340 -0.001 0.000 0.262 113 L C 1.147 178.012 176.870 -0.008 0.000 1.165 113 L CA 0.273 55.108 54.840 -0.007 0.000 0.978 113 L CB 0.362 42.418 42.059 -0.005 0.000 1.337 113 L HN -0.030 nan 8.230 nan 0.000 0.563 114 A N -0.355 122.460 122.820 -0.009 0.000 2.431 114 A HA 0.260 4.579 4.320 -0.001 0.000 0.239 114 A C 1.903 179.479 177.584 -0.014 0.000 1.230 114 A CA 0.018 52.049 52.037 -0.010 0.000 0.928 114 A CB 0.164 19.160 19.000 -0.008 0.000 1.006 114 A HN 0.258 nan 8.150 nan 0.000 0.520 115 M N 1.443 121.033 119.600 -0.017 0.000 2.065 115 M HA -0.024 4.455 4.480 -0.001 0.000 0.259 115 M C -1.200 175.082 176.300 -0.030 0.000 1.069 115 M CA 2.278 57.563 55.300 -0.025 0.000 1.110 115 M CB -0.514 32.072 32.600 -0.024 0.000 1.328 115 M HN 0.208 nan 8.290 nan 0.000 0.405 116 P HA 0.089 nan 4.420 nan 0.000 0.255 116 P C 0.835 178.121 177.300 -0.023 0.000 1.248 116 P CA 0.731 63.816 63.100 -0.026 0.000 0.807 116 P CB -0.051 31.637 31.700 -0.021 0.000 1.150 117 L N -1.156 120.056 121.223 -0.019 0.000 2.558 117 L HA 0.115 4.455 4.340 -0.001 0.000 0.225 117 L C 1.138 178.000 176.870 -0.013 0.000 1.128 117 L CA 0.576 55.409 54.840 -0.012 0.000 0.868 117 L CB -0.549 41.506 42.059 -0.008 0.000 1.006 117 L HN -0.099 nan 8.230 nan 0.000 0.454 118 L N 0.041 121.248 121.223 -0.027 0.000 2.325 118 L HA 0.384 4.723 4.340 -0.001 0.000 0.279 118 L C -2.084 174.744 176.870 -0.071 0.000 1.054 118 L CA -2.190 52.626 54.840 -0.040 0.000 0.804 118 L CB 0.439 42.467 42.059 -0.052 0.000 1.200 118 L HN -0.215 nan 8.230 nan 0.000 0.436 119 P HA -0.025 nan 4.420 nan 0.000 0.266 119 P C -0.336 176.851 177.300 -0.188 0.000 1.195 119 P CA -0.207 62.812 63.100 -0.134 0.000 0.768 119 P CB 0.447 32.030 31.700 -0.194 0.000 0.838 120 Q N 0.930 120.654 119.800 -0.128 0.000 2.541 120 Q HA -0.141 4.198 4.340 -0.001 0.000 0.215 120 Q C 0.907 176.816 176.000 -0.152 0.000 0.977 120 Q CA 1.531 57.264 55.803 -0.118 0.000 0.934 120 Q CB -0.575 28.124 28.738 -0.066 0.000 0.988 120 Q HN 0.430 nan 8.270 nan 0.000 0.521 121 E N 0.146 120.203 120.200 -0.237 0.000 2.112 121 E HA -0.048 4.301 4.350 -0.001 0.000 0.190 121 E C 1.722 178.097 176.600 -0.376 0.000 0.979 121 E CA 0.842 57.074 56.400 -0.281 0.000 0.814 121 E CB -0.071 29.425 29.700 -0.341 0.000 0.762 121 E HN 0.254 nan 8.360 nan 0.000 0.460 122 V N 0.720 120.334 119.914 -0.500 0.000 2.649 122 V HA -0.099 4.020 4.120 -0.001 0.000 0.248 122 V C 0.354 176.318 176.094 -0.218 0.000 1.054 122 V CA 0.823 62.904 62.300 -0.366 0.000 1.073 122 V CB -0.037 31.571 31.823 -0.358 0.000 0.699 122 V HN 0.222 nan 8.190 nan 0.000 0.463 123 Q N 0.029 119.712 119.800 -0.195 0.000 2.443 123 Q HA 0.214 4.553 4.340 -0.001 0.000 0.232 123 Q C 0.985 176.872 176.000 -0.190 0.000 1.026 123 Q CA 0.445 56.157 55.803 -0.152 0.000 0.924 123 Q CB 0.186 28.857 28.738 -0.112 0.000 1.256 123 Q HN 0.503 nan 8.270 nan 0.000 0.519 124 Q N -0.868 118.824 119.800 -0.181 0.000 2.151 124 Q HA -0.404 3.935 4.340 -0.001 0.000 0.161 124 Q C 0.473 176.222 176.000 -0.418 0.000 0.610 124 Q CA 2.169 57.818 55.803 -0.257 0.000 1.451 124 Q CB -1.104 27.488 28.738 -0.244 0.000 1.538 124 Q HN 0.689 nan 8.270 nan 0.000 0.864 125 Q N 0.897 120.491 119.800 -0.343 0.000 2.242 125 Q HA 0.427 4.766 4.340 -0.001 0.000 0.246 125 Q C 0.723 176.635 176.000 -0.147 0.000 0.883 125 Q CA 1.213 56.843 55.803 -0.289 0.000 0.984 125 Q CB 0.381 28.997 28.738 -0.203 0.000 1.096 125 Q HN 0.667 nan 8.270 nan 0.000 0.452 126 G N -0.618 108.102 108.800 -0.133 0.000 2.680 126 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.222 126 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.222 126 G C -0.205 174.659 174.900 -0.061 0.000 1.460 126 G CA 0.018 45.073 45.100 -0.074 0.000 1.275 126 G HN 1.452 nan 8.290 nan 0.000 0.506 127 V N -2.154 117.732 119.914 -0.046 0.000 3.605 127 V HA 0.338 4.457 4.120 -0.001 0.000 0.507 127 V C -0.346 175.734 176.094 -0.023 0.000 0.682 127 V CA 1.054 63.334 62.300 -0.032 0.000 2.051 127 V CB -1.492 30.309 31.823 -0.038 0.000 2.472 127 V HN 2.833 nan 8.190 nan 0.000 0.509 128 S N 3.735 119.428 115.700 -0.012 0.000 2.537 128 S HA 0.904 5.374 4.470 -0.001 0.000 0.270 128 S C -0.918 173.683 174.600 0.002 0.000 1.142 128 S CA -0.339 57.856 58.200 -0.007 0.000 0.870 128 S CB 2.214 65.411 63.200 -0.006 0.000 1.112 128 S HN 2.096 nan 8.310 nan 0.000 0.466 129 V N 3.051 122.967 119.914 0.004 0.000 2.444 129 V HA 0.772 4.891 4.120 -0.001 0.000 0.294 129 V C -0.334 175.767 176.094 0.012 0.000 1.022 129 V CA -0.367 61.941 62.300 0.013 0.000 0.850 129 V CB 1.091 32.923 31.823 0.015 0.000 0.992 129 V HN 1.060 nan 8.190 nan 0.000 0.426 130 E N 4.080 124.291 120.200 0.019 0.000 2.459 130 E HA 0.551 4.900 4.350 -0.001 0.000 0.275 130 E C -1.513 175.102 176.600 0.025 0.000 0.987 130 E CA -1.191 55.219 56.400 0.016 0.000 0.828 130 E CB 2.291 32.000 29.700 0.014 0.000 1.428 130 E HN 0.447 nan 8.360 nan 0.000 0.457 131 K N 0.590 121.002 120.400 0.019 0.000 2.143 131 K HA 0.517 4.836 4.320 -0.001 0.000 0.272 131 K C -0.444 176.171 176.600 0.025 0.000 1.001 131 K CA -0.586 55.716 56.287 0.024 0.000 0.915 131 K CB 1.533 34.040 32.500 0.012 0.000 1.047 131 K HN 0.407 nan 8.250 nan 0.000 0.458 132 S N 0.362 116.083 115.700 0.034 0.000 2.664 132 S HA 0.357 4.827 4.470 -0.001 0.000 0.304 132 S C 0.192 174.803 174.600 0.018 0.000 1.099 132 S CA -0.776 57.441 58.200 0.028 0.000 1.003 132 S CB 1.813 65.039 63.200 0.042 0.000 1.092 132 S HN 0.609 nan 8.310 nan 0.000 0.525 133 S N -0.173 115.526 115.700 -0.002 0.000 2.761 133 S HA 0.217 4.686 4.470 -0.001 0.000 0.273 133 S C 0.542 175.127 174.600 -0.024 0.000 1.073 133 S CA 0.151 58.344 58.200 -0.011 0.000 1.048 133 S CB 0.194 63.378 63.200 -0.026 0.000 0.955 133 S HN 0.724 nan 8.310 nan 0.000 0.500 134 S N 0.767 116.440 115.700 -0.046 0.000 2.929 134 S HA -0.129 4.340 4.470 -0.001 0.000 0.271 134 S C 0.048 174.589 174.600 -0.097 0.000 1.295 134 S CA 0.986 59.177 58.200 -0.013 0.000 1.277 134 S CB -1.256 61.965 63.200 0.035 0.000 1.557 134 S HN 0.493 nan 8.310 nan 0.000 0.666 135 S N -0.118 115.462 115.700 -0.201 0.000 2.570 135 S HA 0.836 5.306 4.470 -0.001 0.000 0.286 135 S C -0.656 173.725 174.600 -0.365 0.000 1.099 135 S CA -0.691 57.401 58.200 -0.180 0.000 0.913 135 S CB 1.195 64.420 63.200 0.041 0.000 1.085 135 S HN 0.258 nan 8.310 nan 0.000 0.480 136 F N 1.118 121.102 119.950 0.057 0.000 2.450 136 F HA 0.485 5.011 4.527 -0.002 0.000 0.332 136 F C 1.111 176.739 175.800 -0.287 0.000 1.093 136 F CA -0.853 57.050 58.000 -0.160 0.000 1.003 136 F CB 0.783 39.571 39.000 -0.353 0.000 1.151 136 F HN 0.397 nan 8.300 nan 0.000 0.474 137 L N 0.958 122.144 121.223 -0.062 0.000 2.168 137 L HA 0.240 4.579 4.340 -0.001 0.000 0.203 137 L C 0.273 176.998 176.870 -0.241 0.000 1.078 137 L CA 0.925 55.687 54.840 -0.129 0.000 0.780 137 L CB -0.030 41.986 42.059 -0.071 0.000 0.939 137 L HN 0.527 nan 8.230 nan 0.000 0.451 138 M N -0.330 119.132 119.600 -0.228 0.000 2.378 138 M HA 0.392 4.871 4.480 -0.001 0.000 0.289 138 M C -1.611 174.505 176.300 -0.306 0.000 1.136 138 M CA -0.378 54.778 55.300 -0.239 0.000 0.917 138 M CB 3.424 35.981 32.600 -0.072 0.000 1.669 138 M HN -0.321 nan 8.290 nan 0.000 0.461 139 V N 3.732 123.409 119.914 -0.395 0.000 2.384 139 V HA 0.481 4.600 4.120 -0.001 0.000 0.287 139 V C -0.493 175.378 176.094 -0.373 0.000 1.020 139 V CA -0.747 61.291 62.300 -0.436 0.000 0.850 139 V CB 1.626 33.033 31.823 -0.693 0.000 0.987 139 V HN 0.642 nan 8.190 nan 0.000 0.436 140 V N 2.692 122.421 119.914 -0.308 0.000 2.266 140 V HA 0.594 4.713 4.120 -0.001 0.000 0.271 140 V C 0.834 176.731 176.094 -0.327 0.000 1.032 140 V CA -0.602 61.498 62.300 -0.334 0.000 0.806 140 V CB 1.028 32.714 31.823 -0.229 0.000 1.052 140 V HN 0.864 nan 8.190 nan 0.000 0.449 141 G N 2.996 111.532 108.800 -0.441 0.000 2.358 141 G HA2 0.437 4.396 3.960 -0.001 0.000 0.273 141 G HA3 0.437 4.396 3.960 -0.001 0.000 0.273 141 G C -0.307 174.413 174.900 -0.300 0.000 1.215 141 G CA -0.219 44.702 45.100 -0.298 0.000 0.910 141 G HN 0.595 nan 8.290 nan 0.000 0.467 142 V N 5.984 125.796 119.914 -0.171 0.000 2.320 142 V HA 0.242 4.361 4.120 -0.001 0.000 0.265 142 V C 0.569 176.563 176.094 -0.166 0.000 1.048 142 V CA -0.732 61.450 62.300 -0.198 0.000 0.865 142 V CB 0.455 32.171 31.823 -0.178 0.000 1.043 142 V HN 0.714 nan 8.190 nan 0.000 0.474 143 I N 3.077 123.529 120.570 -0.198 0.000 2.750 143 I HA 0.591 4.760 4.170 -0.001 0.000 0.308 143 I C -0.639 175.411 176.117 -0.112 0.000 1.016 143 I CA -0.460 60.764 61.300 -0.127 0.000 1.098 143 I CB 2.105 40.041 38.000 -0.107 0.000 1.279 143 I HN 0.478 nan 8.210 nan 0.000 0.454 144 N N 3.142 121.800 118.700 -0.070 0.000 2.430 144 N HA 0.351 5.090 4.740 -0.001 0.000 0.292 144 N C -0.303 175.187 175.510 -0.033 0.000 1.051 144 N CA -0.004 53.005 53.050 -0.068 0.000 0.917 144 N CB 1.455 39.903 38.487 -0.066 0.000 1.164 144 N HN 0.777 nan 8.380 nan 0.000 0.484 145 T N -0.798 113.736 114.554 -0.034 0.000 3.442 145 T HA 0.281 4.630 4.350 -0.001 0.000 0.295 145 T C -0.141 174.551 174.700 -0.013 0.000 1.007 145 T CA -0.508 61.584 62.100 -0.013 0.000 0.962 145 T CB 0.488 69.354 68.868 -0.005 0.000 1.187 145 T HN 0.437 nan 8.240 nan 0.000 0.490 146 D N 0.877 121.266 120.400 -0.020 0.000 4.025 146 D HA 0.360 4.999 4.640 -0.001 0.000 0.167 146 D C 0.566 176.857 176.300 -0.015 0.000 1.615 146 D CA 0.041 54.031 54.000 -0.016 0.000 1.307 146 D CB -0.148 40.640 40.800 -0.020 0.000 1.894 146 D HN 0.193 nan 8.370 nan 0.000 0.459 147 G N 0.973 109.762 108.800 -0.018 0.000 2.690 147 G HA2 0.299 4.258 3.960 -0.001 0.000 0.294 147 G HA3 0.299 4.258 3.960 -0.001 0.000 0.294 147 G C -0.186 174.702 174.900 -0.020 0.000 0.793 147 G CA 0.185 45.277 45.100 -0.014 0.000 1.818 147 G HN 0.263 nan 8.290 nan 0.000 0.515 148 T N 3.767 118.313 114.554 -0.014 0.000 2.656 148 T HA -0.111 4.238 4.350 -0.001 0.000 0.263 148 T C 1.805 176.498 174.700 -0.010 0.000 1.017 148 T CA 0.391 62.482 62.100 -0.014 0.000 1.216 148 T CB 0.519 69.384 68.868 -0.004 0.000 0.989 148 T HN 0.447 nan 8.240 nan 0.000 0.507 149 M N 1.938 121.523 119.600 -0.025 0.000 2.099 149 M HA -0.034 4.445 4.480 -0.001 0.000 0.262 149 M C 0.596 176.910 176.300 0.024 0.000 1.067 149 M CA 1.102 56.395 55.300 -0.013 0.000 1.124 149 M CB -0.076 32.490 32.600 -0.057 0.000 1.353 149 M HN 0.800 nan 8.290 nan 0.000 0.410 150 T N -1.464 113.101 114.554 0.018 0.000 0.543 150 T HA -0.120 4.229 4.350 -0.001 0.000 0.774 150 T C 0.062 174.795 174.700 0.055 0.000 0.992 150 T CA 0.068 62.191 62.100 0.039 0.000 4.076 150 T CB -0.126 68.775 68.868 0.055 0.000 2.303 150 T HN 0.460 nan 8.240 nan 0.000 0.398 151 Q N 1.749 121.581 119.800 0.053 0.000 2.094 151 Q HA -0.317 4.022 4.340 -0.001 0.000 0.217 151 Q C 1.945 178.003 176.000 0.097 0.000 1.046 151 Q CA 3.164 59.006 55.803 0.066 0.000 0.911 151 Q CB -0.163 28.616 28.738 0.069 0.000 1.038 151 Q HN 0.780 nan 8.270 nan 0.000 0.422 152 E N -0.353 119.935 120.200 0.148 0.000 2.106 152 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 152 E C 1.798 178.549 176.600 0.252 0.000 0.984 152 E CA 1.251 57.784 56.400 0.221 0.000 0.806 152 E CB -0.424 29.454 29.700 0.298 0.000 0.750 152 E HN 0.530 nan 8.360 nan 0.000 0.458 153 D N 0.835 121.364 120.400 0.216 0.000 2.149 153 D HA -0.041 4.598 4.640 -0.001 0.000 0.201 153 D C 2.041 178.338 176.300 -0.005 0.000 0.972 153 D CA 0.511 54.602 54.000 0.152 0.000 0.835 153 D CB 0.003 40.899 40.800 0.160 0.000 0.966 153 D HN 0.143 nan 8.370 nan 0.000 0.476 154 I N 0.520 121.098 120.570 0.013 0.000 2.193 154 I HA -0.216 3.953 4.170 -0.001 0.000 0.240 154 I C 2.503 178.631 176.117 0.018 0.000 1.084 154 I CA 1.186 62.483 61.300 -0.006 0.000 1.365 154 I CB -0.428 37.562 38.000 -0.017 0.000 1.064 154 I HN -0.009 nan 8.210 nan 0.000 0.410 155 S N 0.244 115.959 115.700 0.025 0.000 2.419 155 S HA -0.265 4.204 4.470 -0.001 0.000 0.235 155 S C 1.605 176.192 174.600 -0.021 0.000 1.019 155 S CA 1.684 59.904 58.200 0.034 0.000 0.982 155 S CB -0.606 62.632 63.200 0.064 0.000 0.789 155 S HN 0.555 nan 8.310 nan 0.000 0.490 156 D N 0.419 120.749 120.400 -0.115 0.000 2.097 156 D HA -0.179 4.460 4.640 -0.001 0.000 0.197 156 D C 1.828 178.020 176.300 -0.179 0.000 0.984 156 D CA 1.096 54.934 54.000 -0.270 0.000 0.826 156 D CB -0.537 39.735 40.800 -0.880 0.000 0.973 156 D HN 0.485 nan 8.370 nan 0.000 0.460 157 Y N 0.188 120.349 120.300 -0.233 0.000 2.181 157 Y HA -0.109 4.440 4.550 -0.002 0.000 0.288 157 Y C 2.207 178.061 175.900 -0.077 0.000 1.146 157 Y CA 1.376 59.391 58.100 -0.142 0.000 1.164 157 Y CB -0.417 37.968 38.460 -0.125 0.000 0.982 157 Y HN -0.025 nan 8.280 nan 0.000 0.515 158 V N 0.105 120.058 119.914 0.065 0.000 2.720 158 V HA -0.218 3.901 4.120 -0.001 0.000 0.256 158 V C 2.075 178.150 176.094 -0.031 0.000 1.082 158 V CA 1.796 64.112 62.300 0.027 0.000 1.101 158 V CB -0.744 31.108 31.823 0.048 0.000 0.693 158 V HN 0.565 nan 8.190 nan 0.000 0.479 159 A N -0.778 122.005 122.820 -0.060 0.000 1.997 159 A HA 0.436 4.755 4.320 -0.001 0.000 0.212 159 A C 2.034 179.554 177.584 -0.108 0.000 1.178 159 A CA 0.939 52.938 52.037 -0.063 0.000 0.698 159 A CB -0.302 18.672 19.000 -0.043 0.000 0.842 159 A HN 0.703 nan 8.150 nan 0.000 0.458 160 A N -1.129 121.585 122.820 -0.176 0.000 2.370 160 A HA 0.365 4.684 4.320 -0.001 0.000 0.238 160 A C 0.904 178.311 177.584 -0.296 0.000 1.289 160 A CA 0.780 52.692 52.037 -0.209 0.000 0.885 160 A CB -0.580 18.299 19.000 -0.202 0.000 0.961 160 A HN 0.588 nan 8.150 nan 0.000 0.499 161 N N -2.700 115.822 118.700 -0.298 0.000 1.963 161 N HA 0.218 4.957 4.740 -0.001 0.000 0.244 161 N C 1.267 176.717 175.510 -0.100 0.000 1.288 161 N CA 0.275 53.155 53.050 -0.284 0.000 0.800 161 N CB 0.299 38.435 38.487 -0.585 0.000 1.293 161 N HN 0.275 nan 8.380 nan 0.000 0.483 162 M N -0.380 119.189 119.600 -0.051 0.000 2.971 162 M HA 0.205 4.684 4.480 -0.001 0.000 0.238 162 M C 1.753 178.054 176.300 0.002 0.000 1.582 162 M CA 0.222 55.538 55.300 0.026 0.000 1.223 162 M CB 0.086 32.747 32.600 0.102 0.000 1.238 162 M HN -0.087 nan 8.290 nan 0.000 0.568 163 K N 1.413 121.807 120.400 -0.009 0.000 2.074 163 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 163 K C 1.446 178.039 176.600 -0.013 0.000 1.048 163 K CA 2.324 58.608 56.287 -0.005 0.000 0.926 163 K CB -0.237 32.258 32.500 -0.008 0.000 0.713 163 K HN 0.456 nan 8.250 nan 0.000 0.444 164 D N 0.171 120.554 120.400 -0.029 0.000 2.149 164 D HA -0.197 4.443 4.640 -0.001 0.000 0.198 164 D C 1.617 177.902 176.300 -0.026 0.000 0.990 164 D CA 1.439 55.420 54.000 -0.031 0.000 0.839 164 D CB -0.236 40.535 40.800 -0.048 0.000 0.948 164 D HN 0.300 nan 8.370 nan 0.000 0.460 165 A N 0.491 123.296 122.820 -0.025 0.000 2.067 165 A HA 0.018 4.337 4.320 -0.001 0.000 0.217 165 A C 2.320 179.899 177.584 -0.007 0.000 1.156 165 A CA 0.446 52.471 52.037 -0.020 0.000 0.683 165 A CB -0.215 18.773 19.000 -0.021 0.000 0.808 165 A HN 0.169 nan 8.150 nan 0.000 0.455 166 I N -0.991 119.579 120.570 -0.001 0.000 2.260 166 I HA -0.087 4.082 4.170 -0.001 0.000 0.237 166 I C 2.574 178.694 176.117 0.004 0.000 1.075 166 I CA 1.596 62.900 61.300 0.007 0.000 1.376 166 I CB -1.587 36.422 38.000 0.015 0.000 1.107 166 I HN 0.342 nan 8.210 nan 0.000 0.420 167 S N 0.347 116.049 115.700 0.003 0.000 2.441 167 S HA -0.192 4.277 4.470 -0.001 0.000 0.242 167 S C 1.671 176.271 174.600 -0.001 0.000 1.018 167 S CA 1.270 59.472 58.200 0.003 0.000 0.988 167 S CB -0.263 62.938 63.200 0.001 0.000 0.778 167 S HN 0.293 nan 8.310 nan 0.000 0.498 168 R N 0.488 120.984 120.500 -0.006 0.000 3.130 168 R HA 0.256 4.595 4.340 -0.001 0.000 0.348 168 R C 0.099 176.394 176.300 -0.008 0.000 1.241 168 R CA 0.004 56.099 56.100 -0.009 0.000 1.141 168 R CB 0.191 30.483 30.300 -0.014 0.000 1.453 168 R HN 0.315 nan 8.270 nan 0.000 0.590 169 T N -2.246 112.305 114.554 -0.005 0.000 2.538 169 T HA 0.122 4.471 4.350 -0.001 0.000 0.216 169 T C -0.618 174.080 174.700 -0.004 0.000 0.763 169 T CA -0.224 61.873 62.100 -0.005 0.000 1.313 169 T CB 1.105 69.971 68.868 -0.003 0.000 1.592 169 T HN 0.038 nan 8.240 nan 0.000 0.466 170 S N 0.699 116.397 115.700 -0.003 0.000 3.024 170 S HA 0.410 4.879 4.470 -0.001 0.000 0.316 170 S C 1.032 175.631 174.600 -0.003 0.000 1.197 170 S CA 0.695 58.893 58.200 -0.004 0.000 1.097 170 S CB -1.342 61.854 63.200 -0.006 0.000 1.471 170 S HN 1.388 nan 8.310 nan 0.000 0.543 171 G N 3.486 112.285 108.800 -0.002 0.000 2.356 171 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.296 171 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.296 171 G C 0.011 174.912 174.900 0.002 0.000 1.022 171 G CA 0.263 45.362 45.100 -0.001 0.000 0.961 171 G HN 0.860 nan 8.290 nan 0.000 0.510 172 V N 0.217 120.133 119.914 0.004 0.000 2.461 172 V HA 0.557 4.676 4.120 -0.001 0.000 0.275 172 V C 1.861 177.961 176.094 0.011 0.000 1.047 172 V CA 0.364 62.670 62.300 0.010 0.000 0.955 172 V CB 0.943 32.774 31.823 0.014 0.000 0.988 172 V HN 0.483 nan 8.190 nan 0.000 0.471 173 G N 3.918 112.726 108.800 0.013 0.000 2.464 173 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.214 173 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.214 173 G C 0.255 175.165 174.900 0.017 0.000 1.218 173 G CA 0.992 46.099 45.100 0.012 0.000 0.794 173 G HN 0.832 nan 8.290 nan 0.000 0.542 174 D N -1.254 119.162 120.400 0.028 0.000 2.886 174 D HA 0.278 4.917 4.640 -0.001 0.000 0.216 174 D C -1.266 175.069 176.300 0.059 0.000 1.256 174 D CA -0.606 53.415 54.000 0.035 0.000 0.844 174 D CB 1.723 42.543 40.800 0.033 0.000 1.669 174 D HN 0.046 nan 8.370 nan 0.000 0.513 175 V N 1.576 121.519 119.914 0.048 0.000 2.304 175 V HA 0.188 4.307 4.120 -0.001 0.000 0.269 175 V C 0.408 176.525 176.094 0.038 0.000 1.036 175 V CA -0.585 61.749 62.300 0.056 0.000 0.840 175 V CB 0.902 32.746 31.823 0.034 0.000 1.036 175 V HN 0.473 nan 8.190 nan 0.000 0.466 176 Q N 5.417 125.255 119.800 0.063 0.000 2.452 176 Q HA 0.226 4.565 4.340 -0.001 0.000 0.230 176 Q C -0.264 175.611 176.000 -0.209 0.000 1.180 176 Q CA -0.414 55.376 55.803 -0.021 0.000 0.914 176 Q CB 1.179 29.973 28.738 0.093 0.000 1.408 176 Q HN 0.755 nan 8.270 nan 0.000 0.520 177 L N 0.053 121.195 121.223 -0.135 0.000 2.452 177 L HA 0.364 4.703 4.340 -0.001 0.000 0.267 177 L C -0.527 176.237 176.870 -0.177 0.000 1.188 177 L CA 0.225 55.004 54.840 -0.103 0.000 0.821 177 L CB -0.400 41.660 42.059 0.001 0.000 1.102 177 L HN 0.286 nan 8.230 nan 0.000 0.470 178 F N 2.577 122.611 119.950 0.140 0.000 2.384 178 F HA 0.633 5.159 4.527 -0.002 0.000 0.359 178 F C 1.150 177.016 175.800 0.110 0.000 1.143 178 F CA 0.859 58.963 58.000 0.174 0.000 1.216 178 F CB 0.491 39.644 39.000 0.255 0.000 1.512 178 F HN 1.023 nan 8.300 nan 0.000 0.573 179 G N 0.459 109.369 108.800 0.183 0.000 2.295 179 G HA2 0.271 4.230 3.960 -0.001 0.000 0.155 179 G HA3 0.271 4.230 3.960 -0.001 0.000 0.155 179 G C -1.158 173.771 174.900 0.049 0.000 1.307 179 G CA -0.520 44.648 45.100 0.114 0.000 1.140 179 G HN 0.464 nan 8.290 nan 0.000 0.470 180 S N -0.596 115.123 115.700 0.030 0.000 2.558 180 S HA 0.542 5.011 4.470 -0.001 0.000 0.277 180 S C -0.606 174.006 174.600 0.021 0.000 1.143 180 S CA 0.308 58.514 58.200 0.011 0.000 0.865 180 S CB 1.434 64.615 63.200 -0.032 0.000 1.102 180 S HN 1.121 nan 8.310 nan 0.000 0.454 181 Q N 2.338 122.154 119.800 0.026 0.000 2.368 181 Q HA 0.472 4.811 4.340 -0.001 0.000 0.237 181 Q C -0.825 175.261 176.000 0.144 0.000 0.987 181 Q CA -0.408 55.406 55.803 0.018 0.000 0.896 181 Q CB 0.237 28.974 28.738 -0.002 0.000 1.241 181 Q HN 0.573 nan 8.270 nan 0.000 0.485 182 Y N 0.227 120.560 120.300 0.055 0.000 2.652 182 Y HA 0.285 4.834 4.550 -0.002 0.000 0.344 182 Y C 0.295 176.270 175.900 0.125 0.000 1.254 182 Y CA 0.002 58.153 58.100 0.085 0.000 1.480 182 Y CB 0.449 38.974 38.460 0.107 0.000 1.345 182 Y HN 0.803 nan 8.280 nan 0.000 0.617 183 A N 2.816 125.803 122.820 0.280 0.000 2.515 183 A HA 0.578 4.897 4.320 -0.001 0.000 0.298 183 A C -0.947 176.636 177.584 -0.002 0.000 1.059 183 A CA -1.006 51.166 52.037 0.225 0.000 0.698 183 A CB 1.218 20.363 19.000 0.243 0.000 1.289 183 A HN 0.653 nan 8.150 nan 0.000 0.404 184 M N 2.973 122.419 119.600 -0.258 0.000 2.618 184 M HA 0.225 4.704 4.480 -0.001 0.000 0.322 184 M C -0.066 175.904 176.300 -0.551 0.000 1.471 184 M CA 0.112 54.972 55.300 -0.734 0.000 1.450 184 M CB -0.459 31.094 32.600 -1.746 0.000 1.444 184 M HN 0.483 nan 8.290 nan 0.000 0.471 185 R N 4.896 125.146 120.500 -0.417 0.000 2.298 185 R HA 0.350 4.689 4.340 -0.001 0.000 0.310 185 R C -0.673 175.222 176.300 -0.676 0.000 1.068 185 R CA -0.228 55.526 56.100 -0.576 0.000 0.957 185 R CB 0.176 30.125 30.300 -0.585 0.000 1.003 185 R HN 0.562 nan 8.270 nan 0.000 0.454 186 I N 3.656 123.839 120.570 -0.646 0.000 2.388 186 I HA 0.174 4.343 4.170 -0.001 0.000 0.281 186 I C -0.338 175.577 176.117 -0.337 0.000 1.046 186 I CA -1.046 60.029 61.300 -0.375 0.000 1.187 186 I CB 0.199 38.091 38.000 -0.180 0.000 1.351 186 I HN 0.441 nan 8.210 nan 0.000 0.472 187 W N 6.677 127.996 121.300 0.031 0.000 2.422 187 W HA 0.460 5.120 4.660 -0.001 0.000 0.349 187 W C 0.484 177.044 176.519 0.068 0.000 1.062 187 W CA -0.679 56.697 57.345 0.050 0.000 1.497 187 W CB 0.217 29.694 29.460 0.029 0.000 1.407 187 W HN 0.315 nan 8.180 nan 0.000 0.393 188 M N 3.012 122.774 119.600 0.270 0.000 2.245 188 M HA 0.042 4.521 4.480 -0.001 0.000 0.330 188 M C 0.517 176.913 176.300 0.160 0.000 1.098 188 M CA 0.530 55.953 55.300 0.206 0.000 1.172 188 M CB 0.360 33.104 32.600 0.240 0.000 1.467 188 M HN 0.291 nan 8.290 nan 0.000 0.454 189 N N 2.245 120.952 118.700 0.012 0.000 2.399 189 N HA 0.341 5.080 4.740 -0.001 0.000 0.280 189 N C -2.395 172.878 175.510 -0.395 0.000 1.008 189 N CA -1.900 50.993 53.050 -0.263 0.000 0.894 189 N CB 1.995 40.399 38.487 -0.139 0.000 1.273 189 N HN 0.199 nan 8.380 nan 0.000 0.486 190 P HA 0.040 nan 4.420 nan 0.000 0.223 190 P C 0.565 177.640 177.300 -0.374 0.000 1.151 190 P CA 0.885 63.567 63.100 -0.697 0.000 0.787 190 P CB 0.595 31.432 31.700 -1.438 0.000 0.788 191 N N -0.264 118.176 118.700 -0.434 0.000 2.251 191 N HA -0.084 4.655 4.740 -0.001 0.000 0.181 191 N C 1.523 176.937 175.510 -0.161 0.000 1.019 191 N CA 0.848 53.743 53.050 -0.258 0.000 0.862 191 N CB -0.628 37.721 38.487 -0.229 0.000 0.992 191 N HN 0.126 nan 8.380 nan 0.000 0.429 192 E N 0.523 120.660 120.200 -0.105 0.000 2.512 192 E HA 0.052 4.401 4.350 -0.001 0.000 0.195 192 E C 1.242 177.951 176.600 0.182 0.000 1.083 192 E CA 0.059 56.495 56.400 0.059 0.000 0.873 192 E CB 0.013 29.764 29.700 0.085 0.000 0.897 192 E HN 0.156 nan 8.360 nan 0.000 0.514 193 L N -0.443 120.815 121.223 0.058 0.000 2.577 193 L HA 0.191 4.530 4.340 -0.001 0.000 0.225 193 L C 1.544 178.468 176.870 0.091 0.000 1.053 193 L CA 0.851 55.761 54.840 0.116 0.000 0.866 193 L CB -0.559 41.549 42.059 0.082 0.000 1.132 193 L HN 0.211 nan 8.230 nan 0.000 0.486 194 N N 0.532 119.210 118.700 -0.036 0.000 2.270 194 N HA -0.240 4.499 4.740 -0.001 0.000 0.181 194 N C 1.727 177.112 175.510 -0.209 0.000 1.016 194 N CA 0.773 53.720 53.050 -0.172 0.000 0.870 194 N CB 0.190 38.388 38.487 -0.482 0.000 0.979 194 N HN 0.277 nan 8.380 nan 0.000 0.431 195 K N -0.315 119.947 120.400 -0.230 0.000 2.147 195 K HA -0.089 4.230 4.320 -0.001 0.000 0.205 195 K C 0.280 176.563 176.600 -0.528 0.000 1.049 195 K CA 1.129 57.160 56.287 -0.426 0.000 0.936 195 K CB 0.019 32.173 32.500 -0.577 0.000 0.722 195 K HN 0.157 nan 8.250 nan 0.000 0.446 196 F N 0.721 120.637 119.950 -0.056 0.000 2.684 196 F HA 0.199 4.725 4.527 -0.002 0.000 0.298 196 F C -0.180 175.609 175.800 -0.017 0.000 1.120 196 F CA -0.571 57.410 58.000 -0.031 0.000 1.332 196 F CB 0.482 39.470 39.000 -0.020 0.000 0.986 196 F HN -0.065 nan 8.300 nan 0.000 0.524 197 Q N 0.543 120.390 119.800 0.078 0.000 2.457 197 Q HA -0.194 4.145 4.340 -0.001 0.000 0.283 197 Q C -0.718 175.349 176.000 0.111 0.000 1.234 197 Q CA 0.630 56.474 55.803 0.070 0.000 0.877 197 Q CB -1.766 27.004 28.738 0.052 0.000 1.250 197 Q HN 0.514 nan 8.270 nan 0.000 0.481 198 L N -1.524 119.783 121.223 0.141 0.000 2.365 198 L HA 0.799 5.138 4.340 -0.001 0.000 0.267 198 L C 0.595 177.564 176.870 0.165 0.000 1.033 198 L CA -0.588 54.336 54.840 0.140 0.000 0.802 198 L CB 1.924 44.065 42.059 0.135 0.000 1.267 198 L HN 0.082 nan 8.230 nan 0.000 0.457 199 T N -0.856 113.794 114.554 0.159 0.000 2.903 199 T HA 0.409 4.758 4.350 -0.001 0.000 0.299 199 T C -2.215 172.592 174.700 0.178 0.000 1.093 199 T CA -1.889 60.330 62.100 0.199 0.000 1.002 199 T CB 1.866 70.839 68.868 0.176 0.000 1.127 199 T HN 0.296 nan 8.240 nan 0.000 0.488 200 P HA -0.104 nan 4.420 nan 0.000 0.219 200 P C 1.613 178.977 177.300 0.107 0.000 1.144 200 P CA 0.871 64.067 63.100 0.161 0.000 0.806 200 P CB -0.111 31.677 31.700 0.147 0.000 0.771 201 V N 0.894 120.870 119.914 0.104 0.000 2.307 201 V HA -0.190 3.929 4.120 -0.001 0.000 0.245 201 V C 2.238 178.368 176.094 0.060 0.000 1.045 201 V CA 2.082 64.427 62.300 0.074 0.000 1.024 201 V CB -1.256 30.608 31.823 0.070 0.000 0.651 201 V HN 0.090 nan 8.190 nan 0.000 0.449 202 D N 0.108 120.549 120.400 0.068 0.000 2.218 202 D HA -0.100 4.539 4.640 -0.001 0.000 0.204 202 D C 2.142 178.465 176.300 0.038 0.000 0.976 202 D CA 1.041 55.071 54.000 0.050 0.000 0.853 202 D CB 0.057 40.892 40.800 0.058 0.000 0.939 202 D HN 0.344 nan 8.370 nan 0.000 0.481 203 V N 1.135 121.079 119.914 0.051 0.000 2.270 203 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 203 V C 2.540 178.648 176.094 0.023 0.000 1.043 203 V CA 1.065 63.388 62.300 0.038 0.000 1.014 203 V CB -0.312 31.546 31.823 0.059 0.000 0.645 203 V HN 0.142 nan 8.190 nan 0.000 0.447 204 I N 0.483 121.071 120.570 0.030 0.000 2.142 204 I HA -0.252 3.917 4.170 -0.001 0.000 0.240 204 I C 2.605 178.726 176.117 0.007 0.000 1.078 204 I CA 2.110 63.421 61.300 0.018 0.000 1.343 204 I CB -0.883 37.134 38.000 0.029 0.000 1.046 204 I HN 0.338 nan 8.210 nan 0.000 0.405 205 T N 0.726 115.287 114.554 0.012 0.000 2.759 205 T HA -0.172 4.177 4.350 -0.001 0.000 0.269 205 T C 1.914 176.608 174.700 -0.010 0.000 1.042 205 T CA 1.420 63.522 62.100 0.004 0.000 1.140 205 T CB -0.406 68.468 68.868 0.010 0.000 0.864 205 T HN 0.489 nan 8.240 nan 0.000 0.455 206 A N 0.759 123.572 122.820 -0.013 0.000 2.067 206 A HA 0.169 4.488 4.320 -0.001 0.000 0.217 206 A C 2.196 179.750 177.584 -0.050 0.000 1.156 206 A CA 0.346 52.364 52.037 -0.030 0.000 0.683 206 A CB -0.441 18.541 19.000 -0.030 0.000 0.808 206 A HN 0.354 nan 8.150 nan 0.000 0.455 207 I N 1.045 121.593 120.570 -0.038 0.000 2.163 207 I HA -0.203 3.966 4.170 -0.001 0.000 0.240 207 I C 2.532 178.607 176.117 -0.069 0.000 1.081 207 I CA 1.923 63.192 61.300 -0.051 0.000 1.353 207 I CB -0.831 37.165 38.000 -0.006 0.000 1.054 207 I HN 0.496 nan 8.210 nan 0.000 0.407 208 K N 1.687 122.061 120.400 -0.043 0.000 2.365 208 K HA 0.000 4.319 4.320 -0.001 0.000 0.199 208 K C 1.852 178.424 176.600 -0.047 0.000 1.045 208 K CA 1.228 57.491 56.287 -0.040 0.000 0.962 208 K CB -0.348 32.139 32.500 -0.022 0.000 0.759 208 K HN 0.191 nan 8.250 nan 0.000 0.469 209 A N 1.256 124.046 122.820 -0.050 0.000 1.929 209 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 209 A C 2.035 179.577 177.584 -0.071 0.000 1.176 209 A CA 1.166 53.172 52.037 -0.050 0.000 0.628 209 A CB -0.210 18.765 19.000 -0.042 0.000 0.816 209 A HN 0.364 nan 8.150 nan 0.000 0.444 210 Q N -0.780 118.958 119.800 -0.103 0.000 2.200 210 Q HA 0.077 4.416 4.340 -0.001 0.000 0.197 210 Q C 0.636 176.530 176.000 -0.177 0.000 0.953 210 Q CA 0.624 56.343 55.803 -0.140 0.000 0.851 210 Q CB 0.104 28.736 28.738 -0.176 0.000 0.938 210 Q HN 0.553 nan 8.270 nan 0.000 0.488 211 N N 0.977 119.550 118.700 -0.212 0.000 2.895 211 N HA 0.344 5.083 4.740 -0.001 0.000 0.277 211 N C -1.808 173.652 175.510 -0.084 0.000 1.185 211 N CA -0.030 52.896 53.050 -0.206 0.000 1.106 211 N CB 0.110 38.439 38.487 -0.264 0.000 1.422 211 N HN 0.199 nan 8.380 nan 0.000 0.521 212 A N 1.903 124.683 122.820 -0.066 0.000 2.449 212 A HA 0.572 4.891 4.320 -0.001 0.000 0.302 212 A C -0.933 176.639 177.584 -0.021 0.000 1.048 212 A CA -0.698 51.319 52.037 -0.034 0.000 0.708 212 A CB 1.437 20.416 19.000 -0.036 0.000 1.274 212 A HN 0.453 nan 8.150 nan 0.000 0.410 213 Q N 0.976 120.771 119.800 -0.008 0.000 2.357 213 Q HA 0.558 4.897 4.340 -0.001 0.000 0.266 213 Q C -0.965 175.031 176.000 -0.006 0.000 1.021 213 Q CA -0.401 55.400 55.803 -0.004 0.000 0.784 213 Q CB 1.405 30.145 28.738 0.004 0.000 1.243 213 Q HN 1.037 nan 8.270 nan 0.000 0.465 214 V N 0.770 120.678 119.914 -0.009 0.000 2.667 214 V HA 0.992 5.111 4.120 -0.001 0.000 0.308 214 V C -0.303 175.786 176.094 -0.007 0.000 1.048 214 V CA -1.062 61.233 62.300 -0.009 0.000 0.928 214 V CB 1.640 33.456 31.823 -0.011 0.000 1.004 214 V HN 0.775 nan 8.190 nan 0.000 0.444 215 A N 3.096 125.912 122.820 -0.007 0.000 2.341 215 A HA 0.885 5.204 4.320 -0.001 0.000 0.326 215 A C 0.395 177.975 177.584 -0.007 0.000 1.402 215 A CA 0.071 52.104 52.037 -0.006 0.000 0.957 215 A CB -0.043 18.953 19.000 -0.006 0.000 1.151 215 A HN 1.836 nan 8.150 nan 0.000 0.533 216 A N 2.252 125.068 122.820 -0.007 0.000 2.256 216 A HA 0.827 5.146 4.320 -0.001 0.000 0.318 216 A C 0.958 178.538 177.584 -0.006 0.000 1.103 216 A CA 0.058 52.092 52.037 -0.007 0.000 0.860 216 A CB 0.207 19.203 19.000 -0.007 0.000 1.182 216 A HN 1.329 nan 8.150 nan 0.000 0.501 217 G N -1.077 107.719 108.800 -0.006 0.000 2.468 217 G HA2 0.482 4.441 3.960 -0.001 0.000 0.264 217 G HA3 0.482 4.441 3.960 -0.001 0.000 0.264 217 G C -0.285 174.611 174.900 -0.005 0.000 1.460 217 G CA -0.270 44.827 45.100 -0.005 0.000 1.060 217 G HN 0.772 nan 8.290 nan 0.000 0.543 218 Q N -1.315 118.482 119.800 -0.005 0.000 2.394 218 Q HA 0.428 4.767 4.340 -0.001 0.000 0.273 218 Q C -0.890 175.107 176.000 -0.004 0.000 1.089 218 Q CA -0.694 55.106 55.803 -0.005 0.000 0.812 218 Q CB 2.763 31.498 28.738 -0.004 0.000 1.353 218 Q HN 0.312 nan 8.270 nan 0.000 0.438 219 L N 1.639 122.859 121.223 -0.004 0.000 2.369 219 L HA 0.329 4.668 4.340 -0.001 0.000 0.279 219 L C 0.764 177.632 176.870 -0.004 0.000 1.108 219 L CA 0.329 55.167 54.840 -0.004 0.000 0.852 219 L CB 0.171 42.227 42.059 -0.004 0.000 1.169 219 L HN 0.965 nan 8.230 nan 0.000 0.452 220 G N 2.763 111.561 108.800 -0.003 0.000 2.473 220 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.289 220 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.289 220 G C 0.437 175.335 174.900 -0.003 0.000 1.084 220 G CA -0.151 44.947 45.100 -0.003 0.000 1.215 220 G HN 0.963 nan 8.290 nan 0.000 0.527 221 G N 0.358 109.156 108.800 -0.004 0.000 2.481 221 G HA2 0.582 4.541 3.960 -0.001 0.000 0.251 221 G HA3 0.582 4.541 3.960 -0.001 0.000 0.251 221 G C 1.512 176.410 174.900 -0.004 0.000 1.492 221 G CA 1.175 46.273 45.100 -0.004 0.000 1.060 221 G HN 1.194 nan 8.290 nan 0.000 0.553 222 T N 0.329 114.881 114.554 -0.004 0.000 2.639 222 T HA 0.022 4.371 4.350 -0.001 0.000 0.261 222 T C -1.275 173.423 174.700 -0.003 0.000 1.053 222 T CA 0.840 62.938 62.100 -0.004 0.000 1.158 222 T CB -1.236 67.629 68.868 -0.004 0.000 0.863 222 T HN 0.426 nan 8.240 nan 0.000 0.413 223 P HA 0.470 nan 4.420 nan 0.000 0.288 223 P C -2.563 174.735 177.300 -0.003 0.000 1.363 223 P CA -1.208 61.890 63.100 -0.003 0.000 0.837 223 P CB 0.803 32.501 31.700 -0.003 0.000 0.981 224 P HA 0.336 nan 4.420 nan 0.000 0.304 224 P C -0.885 176.414 177.300 -0.003 0.000 1.310 224 P CA -0.836 62.262 63.100 -0.003 0.000 0.796 224 P CB 1.019 32.717 31.700 -0.003 0.000 1.297 225 V N 0.756 120.669 119.914 -0.003 0.000 2.383 225 V HA 0.170 4.289 4.120 -0.001 0.000 0.275 225 V C 0.230 176.323 176.094 -0.002 0.000 1.036 225 V CA -0.739 61.559 62.300 -0.002 0.000 0.889 225 V CB 0.485 32.306 31.823 -0.002 0.000 0.985 225 V HN 0.444 nan 8.190 nan 0.000 0.459 226 K N 4.037 124.436 120.400 -0.002 0.000 2.320 226 K HA 0.365 4.684 4.320 -0.001 0.000 0.273 226 K C 1.027 177.626 176.600 -0.002 0.000 1.146 226 K CA 0.992 57.277 56.287 -0.002 0.000 1.144 226 K CB -0.425 32.073 32.500 -0.002 0.000 0.878 226 K HN 1.104 nan 8.250 nan 0.000 0.458 227 G N 1.757 110.556 108.800 -0.002 0.000 2.200 227 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.145 227 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.145 227 G C -0.363 174.536 174.900 -0.002 0.000 1.021 227 G CA -0.717 44.382 45.100 -0.002 0.000 0.720 227 G HN 0.486 nan 8.290 nan 0.000 0.494 228 Q N 0.757 120.556 119.800 -0.002 0.000 2.313 228 Q HA 0.558 4.897 4.340 -0.001 0.000 0.266 228 Q C 1.482 177.480 176.000 -0.002 0.000 0.989 228 Q CA 0.211 56.013 55.803 -0.002 0.000 0.890 228 Q CB 0.816 29.552 28.738 -0.002 0.000 1.200 228 Q HN 0.326 nan 8.270 nan 0.000 0.396 229 Q N 3.012 122.811 119.800 -0.002 0.000 2.274 229 Q HA 0.196 4.535 4.340 -0.001 0.000 0.198 229 Q C 0.098 176.096 176.000 -0.002 0.000 0.955 229 Q CA 0.630 56.432 55.803 -0.002 0.000 0.859 229 Q CB -0.014 28.723 28.738 -0.002 0.000 0.956 229 Q HN 0.707 nan 8.270 nan 0.000 0.516 230 L N -0.742 120.480 121.223 -0.002 0.000 2.331 230 L HA 0.597 4.936 4.340 -0.001 0.000 0.275 230 L C -0.312 176.556 176.870 -0.003 0.000 1.022 230 L CA -0.660 54.178 54.840 -0.002 0.000 0.812 230 L CB 1.550 43.608 42.059 -0.002 0.000 1.257 230 L HN -0.094 nan 8.230 nan 0.000 0.435 231 N N 2.308 121.006 118.700 -0.003 0.000 2.504 231 N HA 0.715 5.454 4.740 -0.001 0.000 0.280 231 N C -1.673 173.835 175.510 -0.003 0.000 1.052 231 N CA -0.286 52.762 53.050 -0.003 0.000 0.887 231 N CB 1.956 40.441 38.487 -0.003 0.000 1.323 231 N HN 1.001 nan 8.380 nan 0.000 0.509 232 A N 1.998 124.816 122.820 -0.003 0.000 2.475 232 A HA 0.557 4.876 4.320 -0.001 0.000 0.301 232 A C -0.377 177.204 177.584 -0.004 0.000 1.059 232 A CA -0.668 51.367 52.037 -0.004 0.000 0.710 232 A CB 1.306 20.304 19.000 -0.003 0.000 1.288 232 A HN 0.626 nan 8.150 nan 0.000 0.408 233 S N 1.027 116.724 115.700 -0.004 0.000 2.584 233 S HA 0.699 5.168 4.470 -0.001 0.000 0.273 233 S C -0.239 174.358 174.600 -0.005 0.000 1.311 233 S CA -0.327 57.870 58.200 -0.005 0.000 1.034 233 S CB 0.442 63.639 63.200 -0.005 0.000 0.939 233 S HN 0.512 nan 8.310 nan 0.000 0.513 234 I N 2.577 123.143 120.570 -0.005 0.000 2.336 234 I HA 0.337 4.506 4.170 -0.001 0.000 0.292 234 I C -0.563 175.550 176.117 -0.006 0.000 0.991 234 I CA -0.776 60.521 61.300 -0.005 0.000 1.227 234 I CB 1.168 39.164 38.000 -0.006 0.000 1.366 234 I HN 0.500 nan 8.210 nan 0.000 0.466 235 I N 5.668 126.234 120.570 -0.006 0.000 2.362 235 I HA 0.413 4.583 4.170 -0.001 0.000 0.289 235 I C 0.741 176.853 176.117 -0.008 0.000 0.994 235 I CA -0.081 61.215 61.300 -0.006 0.000 1.158 235 I CB 1.014 39.010 38.000 -0.005 0.000 1.315 235 I HN 0.693 nan 8.210 nan 0.000 0.451 236 A N 6.867 129.681 122.820 -0.009 0.000 2.666 236 A HA 0.270 4.589 4.320 -0.001 0.000 0.221 236 A C 0.691 178.267 177.584 -0.014 0.000 2.097 236 A CA 0.232 52.262 52.037 -0.012 0.000 0.835 236 A CB 0.001 18.994 19.000 -0.012 0.000 1.409 236 A HN 0.689 nan 8.150 nan 0.000 0.531 237 Q N -0.848 118.943 119.800 -0.017 0.000 2.205 237 Q HA 0.543 4.882 4.340 -0.001 0.000 0.249 237 Q C -0.873 175.117 176.000 -0.016 0.000 0.948 237 Q CA -0.288 55.502 55.803 -0.021 0.000 0.895 237 Q CB 1.611 30.332 28.738 -0.028 0.000 1.249 237 Q HN 0.500 nan 8.270 nan 0.000 0.458 238 T N 0.089 114.632 114.554 -0.017 0.000 2.903 238 T HA 0.388 4.737 4.350 -0.001 0.000 0.299 238 T C -1.126 173.572 174.700 -0.004 0.000 1.093 238 T CA -0.742 61.354 62.100 -0.007 0.000 1.002 238 T CB 1.303 70.170 68.868 -0.000 0.000 1.127 238 T HN 0.514 nan 8.240 nan 0.000 0.488 239 R N 2.659 123.170 120.500 0.017 0.000 2.449 239 R HA 0.344 4.683 4.340 -0.001 0.000 0.296 239 R C -0.063 176.284 176.300 0.079 0.000 1.047 239 R CA -0.166 55.962 56.100 0.048 0.000 1.018 239 R CB 0.036 30.383 30.300 0.080 0.000 0.962 239 R HN 0.544 nan 8.270 nan 0.000 0.428 240 L N 2.836 124.088 121.223 0.049 0.000 2.499 240 L HA -0.006 4.333 4.340 -0.001 0.000 0.273 240 L C 1.566 178.649 176.870 0.355 0.000 1.195 240 L CA 0.399 55.277 54.840 0.063 0.000 0.882 240 L CB 0.960 42.858 42.059 -0.268 0.000 1.133 240 L HN 0.732 nan 8.230 nan 0.000 0.483 241 T N -0.334 114.402 114.554 0.304 0.000 3.001 241 T HA 0.117 4.466 4.350 -0.001 0.000 0.251 241 T C 0.528 175.468 174.700 0.399 0.000 1.040 241 T CA 0.432 62.755 62.100 0.371 0.000 0.985 241 T CB 0.153 69.135 68.868 0.189 0.000 1.011 241 T HN 0.759 nan 8.240 nan 0.000 0.509 242 S N -1.146 114.745 115.700 0.318 0.000 2.661 242 S HA 0.431 4.900 4.470 -0.001 0.000 0.285 242 S C 0.989 175.698 174.600 0.181 0.000 1.138 242 S CA -0.058 58.273 58.200 0.219 0.000 0.855 242 S CB 0.997 64.285 63.200 0.146 0.000 1.136 242 S HN -0.062 nan 8.310 nan 0.000 0.484 243 T N -0.435 114.160 114.554 0.069 0.000 2.915 243 T HA -0.096 4.253 4.350 -0.001 0.000 0.269 243 T C 1.364 176.110 174.700 0.077 0.000 1.071 243 T CA 1.978 64.086 62.100 0.013 0.000 1.132 243 T CB -0.637 68.212 68.868 -0.031 0.000 0.878 243 T HN 0.707 nan 8.240 nan 0.000 0.479 244 E N 0.026 120.272 120.200 0.077 0.000 2.072 244 E HA -0.128 4.221 4.350 -0.001 0.000 0.190 244 E C 2.077 178.714 176.600 0.063 0.000 0.982 244 E CA 1.112 57.548 56.400 0.060 0.000 0.803 244 E CB -0.037 29.692 29.700 0.047 0.000 0.755 244 E HN 0.652 nan 8.360 nan 0.000 0.453 245 E N -0.533 119.716 120.200 0.083 0.000 2.150 245 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 245 E C 1.737 178.319 176.600 -0.030 0.000 0.985 245 E CA 0.830 57.245 56.400 0.025 0.000 0.814 245 E CB -0.070 29.645 29.700 0.025 0.000 0.752 245 E HN 0.261 nan 8.360 nan 0.000 0.466 246 F N 0.212 120.114 119.950 -0.080 0.000 2.259 246 F HA -0.005 4.521 4.527 -0.001 0.000 0.298 246 F C 2.366 178.114 175.800 -0.086 0.000 1.088 246 F CA 1.170 59.104 58.000 -0.110 0.000 1.358 246 F CB -0.386 38.510 39.000 -0.174 0.000 1.040 246 F HN 0.058 nan 8.300 nan 0.000 0.505 247 G N -0.596 108.266 108.800 0.103 0.000 2.443 247 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.219 247 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.219 247 G C 1.560 176.457 174.900 -0.005 0.000 1.131 247 G CA 0.374 45.498 45.100 0.039 0.000 0.775 247 G HN 0.258 nan 8.290 nan 0.000 0.547 248 K N -0.152 120.235 120.400 -0.022 0.000 2.417 248 K HA 0.258 4.577 4.320 -0.001 0.000 0.196 248 K C 0.134 176.690 176.600 -0.072 0.000 1.023 248 K CA -0.353 55.907 56.287 -0.045 0.000 1.122 248 K CB 0.282 32.758 32.500 -0.039 0.000 0.850 248 K HN 0.286 nan 8.250 nan 0.000 0.521 249 I N 2.638 123.155 120.570 -0.089 0.000 2.494 249 I HA -0.039 4.130 4.170 -0.001 0.000 0.289 249 I C 0.221 176.285 176.117 -0.088 0.000 1.106 249 I CA -0.172 61.060 61.300 -0.112 0.000 1.369 249 I CB 0.136 38.050 38.000 -0.143 0.000 1.410 249 I HN 0.083 nan 8.210 nan 0.000 0.523 250 L N 7.268 128.441 121.223 -0.083 0.000 2.426 250 L HA 0.185 4.524 4.340 -0.001 0.000 0.271 250 L C 0.568 177.394 176.870 -0.074 0.000 1.169 250 L CA 0.142 54.935 54.840 -0.078 0.000 0.836 250 L CB 0.716 42.736 42.059 -0.065 0.000 1.112 250 L HN 0.642 nan 8.230 nan 0.000 0.465 251 L N 2.979 124.154 121.223 -0.081 0.000 2.541 251 L HA 0.310 4.649 4.340 -0.001 0.000 0.187 251 L C 0.141 176.982 176.870 -0.048 0.000 1.098 251 L CA -0.060 54.741 54.840 -0.065 0.000 0.846 251 L CB -0.184 41.828 42.059 -0.079 0.000 1.151 251 L HN 0.604 nan 8.230 nan 0.000 0.492 252 K N -0.523 119.842 120.400 -0.059 0.000 2.430 252 K HA 0.522 4.841 4.320 -0.001 0.000 0.268 252 K C -0.180 176.403 176.600 -0.029 0.000 1.043 252 K CA -0.363 55.908 56.287 -0.028 0.000 0.899 252 K CB 2.018 34.520 32.500 0.003 0.000 1.472 252 K HN -0.172 nan 8.250 nan 0.000 0.451 253 V N -3.250 116.661 119.914 -0.004 0.000 3.485 253 V HA 0.316 4.435 4.120 -0.001 0.000 0.280 253 V C -0.342 175.765 176.094 0.022 0.000 1.495 253 V CA 0.232 62.533 62.300 0.000 0.000 1.018 253 V CB -1.405 30.416 31.823 -0.004 0.000 0.818 253 V HN 0.983 nan 8.190 nan 0.000 0.436 254 N N 0.764 119.485 118.700 0.036 0.000 6.190 254 N HA -0.245 4.494 4.740 -0.001 0.000 0.396 254 N C -0.249 175.278 175.510 0.028 0.000 1.008 254 N CA 1.005 54.082 53.050 0.045 0.000 2.116 254 N CB -0.488 38.038 38.487 0.066 0.000 0.691 254 N HN 0.513 nan 8.380 nan 0.000 0.575 255 Q N 0.885 120.700 119.800 0.025 0.000 3.091 255 Q HA 0.348 4.687 4.340 -0.001 0.000 0.301 255 Q C -0.903 175.106 176.000 0.016 0.000 1.337 255 Q CA 0.421 56.234 55.803 0.016 0.000 1.083 255 Q CB 0.174 28.920 28.738 0.013 0.000 1.477 255 Q HN 0.591 nan 8.270 nan 0.000 0.537 256 D N -0.299 120.112 120.400 0.018 0.000 1.847 256 D HA 0.152 4.791 4.640 -0.001 0.000 0.433 256 D C 0.870 177.179 176.300 0.016 0.000 1.046 256 D CA 1.098 55.108 54.000 0.017 0.000 1.009 256 D CB -0.027 40.787 40.800 0.024 0.000 1.834 256 D HN 0.327 nan 8.370 nan 0.000 0.542 257 G N 0.417 109.227 108.800 0.017 0.000 2.255 257 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.196 257 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.196 257 G C 0.188 175.097 174.900 0.015 0.000 0.998 257 G CA 0.357 45.464 45.100 0.012 0.000 0.656 257 G HN 0.545 nan 8.290 nan 0.000 0.490 258 S N 0.859 116.575 115.700 0.027 0.000 2.510 258 S HA 0.596 5.066 4.470 -0.001 0.000 0.279 258 S C 0.740 175.353 174.600 0.022 0.000 1.284 258 S CA -0.133 58.088 58.200 0.036 0.000 1.059 258 S CB 0.344 63.585 63.200 0.069 0.000 0.901 258 S HN 0.437 nan 8.310 nan 0.000 0.491 259 R N 2.984 123.481 120.500 -0.004 0.000 2.349 259 R HA 0.513 4.853 4.340 -0.001 0.000 0.299 259 R C -1.047 175.193 176.300 -0.101 0.000 1.027 259 R CA -0.605 55.470 56.100 -0.041 0.000 0.958 259 R CB 1.389 31.665 30.300 -0.040 0.000 1.047 259 R HN 0.443 nan 8.270 nan 0.000 0.468 260 V N 5.339 125.154 119.914 -0.165 0.000 2.384 260 V HA 0.434 4.553 4.120 -0.001 0.000 0.287 260 V C -0.867 175.088 176.094 -0.232 0.000 1.020 260 V CA -0.925 61.175 62.300 -0.333 0.000 0.850 260 V CB 1.028 32.530 31.823 -0.535 0.000 0.987 260 V HN 0.499 nan 8.190 nan 0.000 0.436 261 L N 3.113 124.210 121.223 -0.211 0.000 2.470 261 L HA 0.644 4.983 4.340 -0.001 0.000 0.268 261 L C 0.521 177.323 176.870 -0.113 0.000 0.964 261 L CA -0.602 54.158 54.840 -0.135 0.000 0.839 261 L CB 1.228 43.231 42.059 -0.093 0.000 1.276 261 L HN 0.289 nan 8.230 nan 0.000 0.403 262 L N 1.533 122.707 121.223 -0.083 0.000 2.425 262 L HA -0.381 3.958 4.340 -0.001 0.000 0.231 262 L C 2.832 179.687 176.870 -0.025 0.000 1.140 262 L CA 2.862 57.677 54.840 -0.041 0.000 0.856 262 L CB -0.539 41.517 42.059 -0.006 0.000 0.960 262 L HN 1.045 nan 8.230 nan 0.000 0.446 263 R N -0.829 119.660 120.500 -0.019 0.000 2.159 263 R HA -0.255 4.084 4.340 -0.001 0.000 0.252 263 R C 1.857 178.152 176.300 -0.009 0.000 1.144 263 R CA 2.372 58.469 56.100 -0.005 0.000 0.961 263 R CB -0.577 29.718 30.300 -0.008 0.000 0.877 263 R HN 0.633 nan 8.270 nan 0.000 0.444 264 D N -0.256 120.116 120.400 -0.047 0.000 2.085 264 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 264 D C 1.884 178.175 176.300 -0.014 0.000 0.981 264 D CA 1.342 55.314 54.000 -0.046 0.000 0.834 264 D CB -0.494 40.216 40.800 -0.149 0.000 0.992 264 D HN 0.186 nan 8.370 nan 0.000 0.457 265 V N 0.205 120.085 119.914 -0.057 0.000 2.515 265 V HA 0.070 4.189 4.120 -0.001 0.000 0.250 265 V C 0.541 176.659 176.094 0.039 0.000 1.058 265 V CA 1.337 63.637 62.300 0.000 0.000 1.064 265 V CB -0.135 31.671 31.823 -0.028 0.000 0.675 265 V HN 0.227 nan 8.190 nan 0.000 0.461 266 A N -0.336 122.508 122.820 0.041 0.000 2.475 266 A HA 0.582 4.902 4.320 -0.001 0.000 0.301 266 A C -0.519 177.122 177.584 0.094 0.000 1.059 266 A CA -0.741 51.345 52.037 0.082 0.000 0.710 266 A CB 1.212 20.256 19.000 0.073 0.000 1.288 266 A HN 0.219 nan 8.150 nan 0.000 0.408 267 K N 1.783 122.277 120.400 0.156 0.000 2.297 267 K HA 0.525 4.844 4.320 -0.001 0.000 0.286 267 K C -1.290 175.433 176.600 0.205 0.000 1.053 267 K CA -0.069 56.321 56.287 0.171 0.000 0.940 267 K CB 0.198 32.810 32.500 0.188 0.000 1.019 267 K HN 0.566 nan 8.250 nan 0.000 0.475 268 I N 5.337 125.979 120.570 0.119 0.000 2.390 268 I HA 0.152 4.321 4.170 -0.001 0.000 0.283 268 I C -0.236 175.914 176.117 0.054 0.000 1.016 268 I CA -0.452 60.875 61.300 0.046 0.000 1.151 268 I CB 1.363 39.357 38.000 -0.010 0.000 1.293 268 I HN 0.633 nan 8.210 nan 0.000 0.458 269 E N 6.408 126.670 120.200 0.102 0.000 2.244 269 E HA 0.609 4.958 4.350 -0.001 0.000 0.266 269 E C -1.364 175.214 176.600 -0.036 0.000 0.914 269 E CA -1.098 55.347 56.400 0.076 0.000 0.794 269 E CB 2.775 32.586 29.700 0.184 0.000 1.210 269 E HN 0.349 nan 8.360 nan 0.000 0.414 270 L N 2.062 123.210 121.223 -0.124 0.000 2.257 270 L HA 0.664 5.004 4.340 -0.001 0.000 0.290 270 L C -0.135 176.445 176.870 -0.482 0.000 1.044 270 L CA 0.920 55.594 54.840 -0.277 0.000 0.810 270 L CB 0.698 42.594 42.059 -0.272 0.000 1.193 270 L HN 0.864 nan 8.230 nan 0.000 0.425 271 G N 2.380 110.964 108.800 -0.361 0.000 2.348 271 G HA2 0.488 4.447 3.960 -0.001 0.000 0.606 271 G HA3 0.488 4.447 3.960 -0.001 0.000 0.606 271 G C -0.218 174.758 174.900 0.126 0.000 1.466 271 G CA -0.275 44.640 45.100 -0.308 0.000 0.950 271 G HN 1.505 nan 8.290 nan 0.000 0.657 272 G N 0.402 109.320 108.800 0.195 0.000 2.815 272 G HA2 0.202 4.161 3.960 -0.001 0.000 0.234 272 G HA3 0.202 4.161 3.960 -0.001 0.000 0.234 272 G C 0.786 175.528 174.900 -0.263 0.000 0.971 272 G CA 1.050 46.061 45.100 -0.148 0.000 1.124 272 G HN 2.037 nan 8.290 nan 0.000 0.435 273 E N 0.992 121.119 120.200 -0.122 0.000 2.274 273 E HA -0.087 4.263 4.350 -0.001 0.000 0.194 273 E C 0.863 177.258 176.600 -0.340 0.000 0.996 273 E CA 0.865 57.203 56.400 -0.103 0.000 0.840 273 E CB 0.105 29.891 29.700 0.143 0.000 0.772 273 E HN 0.777 nan 8.360 nan 0.000 0.491 274 N N -0.255 118.232 118.700 -0.355 0.000 2.331 274 N HA 0.050 4.789 4.740 -0.001 0.000 0.280 274 N C -1.849 173.442 175.510 -0.366 0.000 1.155 274 N CA -0.782 52.097 53.050 -0.285 0.000 0.822 274 N CB 0.877 39.275 38.487 -0.148 0.000 1.619 274 N HN 0.009 nan 8.380 nan 0.000 0.476 275 Y N 0.627 120.955 120.300 0.047 0.000 2.726 275 Y HA 0.329 4.878 4.550 -0.002 0.000 0.367 275 Y C -0.260 175.661 175.900 0.036 0.000 1.038 275 Y CA -0.504 57.628 58.100 0.053 0.000 1.174 275 Y CB 0.727 39.221 38.460 0.057 0.000 1.265 275 Y HN 0.557 nan 8.280 nan 0.000 0.622 276 D N 0.557 121.026 120.400 0.114 0.000 2.716 276 D HA 0.118 4.757 4.640 -0.001 0.000 0.273 276 D C -0.016 176.333 176.300 0.082 0.000 1.024 276 D CA 0.383 54.433 54.000 0.084 0.000 0.944 276 D CB 0.725 41.550 40.800 0.043 0.000 1.186 276 D HN 0.386 nan 8.370 nan 0.000 0.485 277 I N 0.706 121.327 120.570 0.086 0.000 2.378 277 I HA 0.432 4.602 4.170 -0.001 0.000 0.291 277 I C -0.950 175.242 176.117 0.124 0.000 0.992 277 I CA -0.970 60.404 61.300 0.123 0.000 1.154 277 I CB 1.482 39.591 38.000 0.183 0.000 1.315 277 I HN -0.121 nan 8.210 nan 0.000 0.448 278 I N 3.760 124.387 120.570 0.095 0.000 2.689 278 I HA 0.938 5.107 4.170 -0.001 0.000 0.299 278 I C -0.887 175.215 176.117 -0.025 0.000 1.059 278 I CA -0.990 60.342 61.300 0.054 0.000 1.055 278 I CB 1.530 39.553 38.000 0.039 0.000 1.243 278 I HN 0.834 nan 8.210 nan 0.000 0.425 279 A N 4.122 126.885 122.820 -0.096 0.000 2.342 279 A HA 0.780 5.099 4.320 -0.001 0.000 0.323 279 A C -0.832 176.546 177.584 -0.343 0.000 1.125 279 A CA -0.436 51.396 52.037 -0.342 0.000 0.785 279 A CB 1.134 19.804 19.000 -0.550 0.000 1.221 279 A HN 0.744 nan 8.150 nan 0.000 0.463 280 E N 0.856 120.801 120.200 -0.425 0.000 2.145 280 E HA 0.406 4.755 4.350 -0.001 0.000 0.262 280 E C -1.535 174.889 176.600 -0.292 0.000 0.883 280 E CA -0.171 56.065 56.400 -0.274 0.000 0.748 280 E CB 1.234 30.819 29.700 -0.192 0.000 1.140 280 E HN 0.453 nan 8.360 nan 0.000 0.417 281 F N 4.869 124.649 119.950 -0.283 0.000 2.377 281 F HA 0.268 4.794 4.527 -0.001 0.000 0.360 281 F C 0.121 175.879 175.800 -0.071 0.000 1.147 281 F CA -0.554 57.372 58.000 -0.123 0.000 1.170 281 F CB -0.052 38.960 39.000 0.021 0.000 1.339 281 F HN 0.442 nan 8.300 nan 0.000 0.552 282 N N 3.972 122.386 118.700 -0.476 0.000 2.747 282 N HA -0.215 4.524 4.740 -0.001 0.000 0.249 282 N C 1.099 176.495 175.510 -0.189 0.000 1.107 282 N CA 1.138 53.959 53.050 -0.381 0.000 0.707 282 N CB -1.435 36.746 38.487 -0.511 0.000 1.054 282 N HN 1.161 nan 8.380 nan 0.000 0.555 283 G N -0.334 108.381 108.800 -0.142 0.000 2.299 283 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.237 283 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.237 283 G C -0.113 174.755 174.900 -0.054 0.000 1.027 283 G CA 0.623 45.673 45.100 -0.082 0.000 0.619 283 G HN 0.631 nan 8.290 nan 0.000 0.513 284 Q N 2.491 122.271 119.800 -0.033 0.000 2.296 284 Q HA 0.421 4.760 4.340 -0.001 0.000 0.262 284 Q C -2.136 173.878 176.000 0.023 0.000 0.981 284 Q CA -1.736 54.078 55.803 0.017 0.000 0.905 284 Q CB 0.989 29.771 28.738 0.073 0.000 1.186 284 Q HN 0.299 nan 8.270 nan 0.000 0.399 285 P HA 0.059 nan 4.420 nan 0.000 0.263 285 P C -1.484 175.818 177.300 0.003 0.000 1.195 285 P CA 0.308 63.402 63.100 -0.009 0.000 0.762 285 P CB 0.826 32.525 31.700 -0.002 0.000 0.799 286 A N 2.494 125.302 122.820 -0.019 0.000 2.612 286 A HA 0.619 4.938 4.320 -0.001 0.000 0.293 286 A C -0.835 176.754 177.584 0.008 0.000 1.075 286 A CA -0.560 51.476 52.037 -0.002 0.000 0.680 286 A CB 1.500 20.520 19.000 0.034 0.000 1.279 286 A HN 0.418 nan 8.150 nan 0.000 0.411 287 S N -0.613 115.123 115.700 0.059 0.000 2.578 287 S HA 0.826 5.295 4.470 -0.001 0.000 0.301 287 S C 0.091 174.825 174.600 0.223 0.000 1.091 287 S CA 0.219 58.510 58.200 0.152 0.000 1.032 287 S CB 1.439 64.710 63.200 0.117 0.000 1.064 287 S HN 1.920 nan 8.310 nan 0.000 0.508 288 G N 1.685 110.730 108.800 0.408 0.000 2.569 288 G HA2 0.661 4.620 3.960 -0.001 0.000 0.300 288 G HA3 0.661 4.620 3.960 -0.001 0.000 0.300 288 G C -1.775 173.373 174.900 0.414 0.000 1.269 288 G CA -0.714 44.576 45.100 0.317 0.000 0.959 288 G HN 0.703 nan 8.290 nan 0.000 0.478 289 L N 1.571 122.901 121.223 0.179 0.000 2.301 289 L HA 0.469 4.808 4.340 -0.001 0.000 0.278 289 L C 0.701 177.627 176.870 0.094 0.000 1.022 289 L CA -0.696 54.222 54.840 0.131 0.000 0.854 289 L CB 1.603 43.687 42.059 0.042 0.000 1.226 289 L HN 0.632 nan 8.230 nan 0.000 0.429 290 G N 4.661 113.533 108.800 0.119 0.000 2.457 290 G HA2 0.495 4.454 3.960 -0.001 0.000 0.316 290 G HA3 0.495 4.454 3.960 -0.001 0.000 0.316 290 G C -0.408 174.567 174.900 0.124 0.000 1.030 290 G CA -0.323 44.769 45.100 -0.014 0.000 1.073 290 G HN 0.381 nan 8.290 nan 0.000 0.430 291 I N 1.738 122.396 120.570 0.148 0.000 2.352 291 I HA 0.251 4.420 4.170 -0.001 0.000 0.290 291 I C 0.541 176.826 176.117 0.279 0.000 1.036 291 I CA -0.164 61.238 61.300 0.170 0.000 1.336 291 I CB 1.553 39.592 38.000 0.065 0.000 1.407 291 I HN 0.274 nan 8.210 nan 0.000 0.497 292 K N 6.264 126.774 120.400 0.184 0.000 2.159 292 K HA 0.442 4.761 4.320 -0.001 0.000 0.266 292 K C -0.662 175.939 176.600 0.002 0.000 0.975 292 K CA -0.744 55.553 56.287 0.016 0.000 0.865 292 K CB 1.008 33.466 32.500 -0.069 0.000 1.087 292 K HN 0.469 nan 8.250 nan 0.000 0.446 293 L N 3.290 124.499 121.223 -0.023 0.000 2.473 293 L HA 0.214 4.553 4.340 -0.001 0.000 0.268 293 L C 0.485 177.355 176.870 0.000 0.000 1.215 293 L CA 0.497 55.335 54.840 -0.004 0.000 0.823 293 L CB 0.942 43.002 42.059 0.002 0.000 1.099 293 L HN 0.991 nan 8.230 nan 0.000 0.483 294 A N 3.341 126.165 122.820 0.007 0.000 2.645 294 A HA 0.358 4.677 4.320 -0.001 0.000 0.245 294 A C 0.042 177.634 177.584 0.013 0.000 1.758 294 A CA -0.014 52.028 52.037 0.009 0.000 0.850 294 A CB -0.161 18.842 19.000 0.006 0.000 1.656 294 A HN 0.752 nan 8.150 nan 0.000 0.641 295 T N 0.025 114.586 114.554 0.013 0.000 2.864 295 T HA 0.541 4.890 4.350 -0.001 0.000 0.310 295 T C 0.295 175.005 174.700 0.016 0.000 1.040 295 T CA 0.570 62.681 62.100 0.017 0.000 0.977 295 T CB 0.697 69.574 68.868 0.016 0.000 0.976 295 T HN 2.051 nan 8.240 nan 0.000 0.459 296 G N 2.365 111.180 108.800 0.026 0.000 2.298 296 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.287 296 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.287 296 G C 0.447 175.361 174.900 0.024 0.000 1.075 296 G CA 0.076 45.193 45.100 0.029 0.000 0.960 296 G HN 1.024 nan 8.290 nan 0.000 0.502 297 A N 0.402 123.236 122.820 0.023 0.000 3.364 297 A HA 0.702 5.021 4.320 -0.001 0.000 0.157 297 A C 1.416 179.009 177.584 0.015 0.000 1.964 297 A CA 0.808 52.853 52.037 0.015 0.000 1.162 297 A CB 0.198 19.204 19.000 0.010 0.000 1.836 297 A HN 1.007 nan 8.150 nan 0.000 0.802 298 N N -1.124 117.579 118.700 0.006 0.000 2.217 298 N HA 0.359 5.098 4.740 -0.001 0.000 0.239 298 N C 0.744 176.244 175.510 -0.018 0.000 1.330 298 N CA 0.623 53.672 53.050 -0.001 0.000 0.838 298 N CB 0.639 39.124 38.487 -0.003 0.000 1.287 298 N HN 0.923 nan 8.380 nan 0.000 0.498 299 A N 2.246 125.053 122.820 -0.022 0.000 5.279 299 A HA -0.365 3.954 4.320 -0.001 0.000 0.359 299 A C 1.607 179.147 177.584 -0.073 0.000 1.600 299 A CA 1.900 53.905 52.037 -0.054 0.000 0.725 299 A CB -1.500 17.451 19.000 -0.082 0.000 1.514 299 A HN 0.298 nan 8.150 nan 0.000 0.421 300 L N 0.356 121.517 121.223 -0.103 0.000 2.230 300 L HA -0.216 4.123 4.340 -0.001 0.000 0.217 300 L C 1.506 178.333 176.870 -0.071 0.000 1.090 300 L CA 3.152 57.929 54.840 -0.105 0.000 0.771 300 L CB -1.047 40.942 42.059 -0.116 0.000 0.892 300 L HN 0.638 nan 8.230 nan 0.000 0.438 301 D N -2.176 118.192 120.400 -0.053 0.000 2.363 301 D HA -0.042 4.597 4.640 -0.001 0.000 0.226 301 D C 1.839 178.121 176.300 -0.031 0.000 1.020 301 D CA 0.962 54.940 54.000 -0.038 0.000 0.892 301 D CB 0.110 40.893 40.800 -0.028 0.000 0.900 301 D HN 0.376 nan 8.370 nan 0.000 0.531 302 T N -0.839 113.694 114.554 -0.034 0.000 2.837 302 T HA 0.261 4.611 4.350 -0.001 0.000 0.248 302 T C 1.685 176.374 174.700 -0.018 0.000 1.033 302 T CA 1.205 63.291 62.100 -0.024 0.000 1.150 302 T CB 0.082 68.937 68.868 -0.023 0.000 0.865 302 T HN 0.192 nan 8.240 nan 0.000 0.425 303 A N 0.669 123.477 122.820 -0.021 0.000 2.666 303 A HA -0.161 4.159 4.320 -0.001 0.000 0.229 303 A C 1.720 179.279 177.584 -0.042 0.000 0.648 303 A CA 1.629 53.642 52.037 -0.039 0.000 1.273 303 A CB -2.045 16.920 19.000 -0.057 0.000 1.323 303 A HN 1.003 nan 8.150 nan 0.000 0.692 304 A N -1.469 121.330 122.820 -0.036 0.000 2.303 304 A HA 0.764 5.083 4.320 -0.001 0.000 0.217 304 A C 1.748 179.321 177.584 -0.018 0.000 1.205 304 A CA 1.280 53.297 52.037 -0.032 0.000 0.875 304 A CB -0.230 18.748 19.000 -0.037 0.000 0.910 304 A HN 2.174 nan 8.150 nan 0.000 0.501 305 A N -1.144 121.669 122.820 -0.012 0.000 2.456 305 A HA 0.419 4.738 4.320 -0.001 0.000 0.237 305 A C 1.363 178.950 177.584 0.004 0.000 1.217 305 A CA 0.125 52.160 52.037 -0.004 0.000 0.962 305 A CB -0.167 18.829 19.000 -0.007 0.000 1.079 305 A HN 0.235 nan 8.150 nan 0.000 0.536 306 I N 0.278 120.852 120.570 0.006 0.000 2.394 306 I HA -0.138 4.031 4.170 -0.001 0.000 0.251 306 I C 2.375 178.513 176.117 0.035 0.000 1.136 306 I CA 1.394 62.705 61.300 0.018 0.000 1.425 306 I CB -0.051 37.958 38.000 0.015 0.000 1.079 306 I HN 0.372 nan 8.210 nan 0.000 0.425 307 R N 1.175 121.699 120.500 0.040 0.000 2.115 307 R HA -0.018 4.321 4.340 -0.001 0.000 0.226 307 R C 2.121 178.446 176.300 0.041 0.000 1.100 307 R CA 1.563 57.699 56.100 0.060 0.000 0.980 307 R CB -0.667 29.665 30.300 0.053 0.000 0.875 307 R HN 0.288 nan 8.270 nan 0.000 0.445 308 A N 0.655 123.487 122.820 0.021 0.000 1.865 308 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 308 A C 2.020 179.612 177.584 0.014 0.000 1.191 308 A CA 1.913 53.957 52.037 0.012 0.000 0.623 308 A CB -0.634 18.368 19.000 0.003 0.000 0.826 308 A HN 0.456 nan 8.150 nan 0.000 0.444 309 E N -0.505 119.704 120.200 0.015 0.000 2.047 309 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 309 E C 1.934 178.548 176.600 0.022 0.000 0.987 309 E CA 1.007 57.414 56.400 0.013 0.000 0.799 309 E CB -0.367 29.339 29.700 0.010 0.000 0.752 309 E HN 0.569 nan 8.360 nan 0.000 0.449 310 L N 0.007 121.254 121.223 0.042 0.000 2.127 310 L HA -0.213 4.126 4.340 -0.001 0.000 0.211 310 L C 2.030 178.930 176.870 0.049 0.000 1.089 310 L CA 1.532 56.413 54.840 0.068 0.000 0.757 310 L CB -0.175 41.935 42.059 0.085 0.000 0.899 310 L HN 0.177 nan 8.230 nan 0.000 0.434 311 A N -0.882 121.958 122.820 0.033 0.000 1.968 311 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 311 A C 2.280 179.854 177.584 -0.016 0.000 1.169 311 A CA 1.407 53.454 52.037 0.017 0.000 0.638 311 A CB -0.278 18.733 19.000 0.017 0.000 0.812 311 A HN 0.417 nan 8.150 nan 0.000 0.446 312 K N -0.602 119.791 120.400 -0.012 0.000 2.400 312 K HA 0.111 4.430 4.320 -0.001 0.000 0.194 312 K C 1.439 178.041 176.600 0.002 0.000 1.033 312 K CA 0.837 57.122 56.287 -0.003 0.000 1.021 312 K CB -0.008 32.505 32.500 0.022 0.000 0.808 312 K HN 0.771 nan 8.250 nan 0.000 0.505 313 M N -1.965 117.584 119.600 -0.085 0.000 2.383 313 M HA 0.208 4.687 4.480 -0.001 0.000 0.247 313 M C 0.560 176.373 176.300 -0.812 0.000 1.117 313 M CA 0.549 55.714 55.300 -0.225 0.000 0.995 313 M CB 0.239 32.737 32.600 -0.170 0.000 1.480 313 M HN -0.094 nan 8.290 nan 0.000 0.485 314 E N 2.096 121.989 120.200 -0.512 0.000 2.106 314 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 314 E C -0.757 175.614 176.600 -0.381 0.000 0.984 314 E CA 1.157 57.281 56.400 -0.460 0.000 0.806 314 E CB -0.757 28.889 29.700 -0.089 0.000 0.750 314 E HN 0.516 nan 8.360 nan 0.000 0.458 315 P HA -0.081 nan 4.420 nan 0.000 0.221 315 P C 0.625 177.707 177.300 -0.364 0.000 1.155 315 P CA 0.916 63.792 63.100 -0.372 0.000 0.812 315 P CB -0.039 31.340 31.700 -0.534 0.000 0.801 316 F N -1.978 117.863 119.950 -0.182 0.000 2.771 316 F HA 0.065 4.591 4.527 -0.002 0.000 0.299 316 F C 0.880 176.754 175.800 0.124 0.000 1.177 316 F CA -0.089 57.880 58.000 -0.052 0.000 1.450 316 F CB -0.757 38.203 39.000 -0.068 0.000 1.114 316 F HN -0.217 nan 8.300 nan 0.000 0.587 317 F N 2.367 122.440 119.950 0.204 0.000 2.471 317 F HA 0.212 4.738 4.527 -0.001 0.000 0.353 317 F C -1.015 174.804 175.800 0.032 0.000 1.113 317 F CA -3.526 54.556 58.000 0.137 0.000 1.262 317 F CB -0.480 38.566 39.000 0.077 0.000 1.146 317 F HN -0.142 nan 8.300 nan 0.000 0.578 318 P HA 0.188 nan 4.420 nan 0.000 0.341 318 P C -0.806 176.484 177.300 -0.015 0.000 1.368 318 P CA -0.476 62.642 63.100 0.030 0.000 0.835 318 P CB 0.193 31.864 31.700 -0.048 0.000 2.010 319 S N -0.658 115.013 115.700 -0.047 0.000 2.465 319 S HA 0.423 4.892 4.470 -0.001 0.000 0.280 319 S C 0.774 175.329 174.600 -0.075 0.000 1.232 319 S CA 0.586 58.760 58.200 -0.043 0.000 1.066 319 S CB -1.141 62.040 63.200 -0.032 0.000 0.929 319 S HN 0.914 nan 8.310 nan 0.000 0.494 320 G N 3.453 112.219 108.800 -0.056 0.000 2.417 320 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.291 320 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.291 320 G C -0.347 174.479 174.900 -0.123 0.000 1.094 320 G CA -0.574 44.484 45.100 -0.069 0.000 1.146 320 G HN 0.687 nan 8.290 nan 0.000 0.519 321 L N 0.721 121.865 121.223 -0.132 0.000 2.495 321 L HA 0.320 4.659 4.340 -0.001 0.000 0.248 321 L C 0.476 177.258 176.870 -0.147 0.000 1.229 321 L CA -0.514 54.182 54.840 -0.240 0.000 0.942 321 L CB 0.869 42.623 42.059 -0.508 0.000 1.242 321 L HN 0.185 nan 8.230 nan 0.000 0.484 322 K N 2.864 123.194 120.400 -0.117 0.000 2.263 322 K HA 0.450 4.769 4.320 -0.001 0.000 0.282 322 K C -0.223 176.282 176.600 -0.158 0.000 1.089 322 K CA -0.360 55.877 56.287 -0.083 0.000 0.907 322 K CB 1.325 33.793 32.500 -0.052 0.000 1.148 322 K HN 0.378 nan 8.250 nan 0.000 0.470 323 I N 4.280 124.760 120.570 -0.149 0.000 2.452 323 I HA 0.007 4.176 4.170 -0.001 0.000 0.287 323 I C 0.603 176.474 176.117 -0.410 0.000 1.079 323 I CA -0.567 60.573 61.300 -0.268 0.000 1.387 323 I CB 0.224 38.106 38.000 -0.196 0.000 1.404 323 I HN 0.276 nan 8.210 nan 0.000 0.522 324 V N 4.198 123.791 119.914 -0.534 0.000 3.193 324 V HA 0.488 4.607 4.120 -0.001 0.000 0.320 324 V C -1.000 174.670 176.094 -0.707 0.000 1.112 324 V CA -0.719 61.263 62.300 -0.530 0.000 1.026 324 V CB 1.570 33.042 31.823 -0.585 0.000 1.128 324 V HN 0.535 nan 8.190 nan 0.000 0.452 325 Y N 1.113 121.346 120.300 -0.111 0.000 2.748 325 Y HA 0.486 5.035 4.550 -0.002 0.000 0.359 325 Y C -1.771 174.123 175.900 -0.009 0.000 1.030 325 Y CA -1.689 56.363 58.100 -0.080 0.000 1.169 325 Y CB 1.109 39.549 38.460 -0.033 0.000 1.127 325 Y HN 0.531 nan 8.280 nan 0.000 0.644 326 P HA -0.160 nan 4.420 nan 0.000 0.223 326 P C -0.348 177.037 177.300 0.142 0.000 1.151 326 P CA 1.413 64.606 63.100 0.155 0.000 0.787 326 P CB 0.771 32.516 31.700 0.075 0.000 0.788 327 Y N -0.351 119.884 120.300 -0.108 0.000 2.287 327 Y HA 0.452 5.001 4.550 -0.001 0.000 0.321 327 Y C -2.104 173.754 175.900 -0.069 0.000 1.173 327 Y CA -1.142 56.884 58.100 -0.122 0.000 1.124 327 Y CB 1.335 39.610 38.460 -0.309 0.000 1.201 327 Y HN -0.252 nan 8.280 nan 0.000 0.421 328 D N 3.222 123.801 120.400 0.298 0.000 2.934 328 D HA 0.234 4.874 4.640 -0.001 0.000 0.230 328 D C 0.374 176.765 176.300 0.151 0.000 1.204 328 D CA -0.079 53.971 54.000 0.082 0.000 0.873 328 D CB 2.469 43.295 40.800 0.044 0.000 1.645 328 D HN 0.591 nan 8.370 nan 0.000 0.502 329 T N -0.828 113.741 114.554 0.024 0.000 3.044 329 T HA 0.000 4.349 4.350 -0.001 0.000 0.255 329 T C 1.668 176.263 174.700 -0.175 0.000 1.073 329 T CA 0.945 63.036 62.100 -0.014 0.000 1.125 329 T CB -0.323 68.493 68.868 -0.087 0.000 0.908 329 T HN 0.342 nan 8.240 nan 0.000 0.480 330 T N 3.403 117.868 114.554 -0.148 0.000 2.620 330 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 330 T C -0.528 174.101 174.700 -0.119 0.000 1.044 330 T CA 2.151 64.152 62.100 -0.166 0.000 1.161 330 T CB -1.578 67.213 68.868 -0.128 0.000 0.862 330 T HN 0.370 nan 8.240 nan 0.000 0.438 331 P HA -0.195 nan 4.420 nan 0.000 0.222 331 P C 1.480 178.863 177.300 0.137 0.000 1.157 331 P CA 1.531 64.693 63.100 0.103 0.000 0.905 331 P CB -0.373 31.480 31.700 0.254 0.000 0.792 332 F N -1.406 118.588 119.950 0.074 0.000 2.293 332 F HA -0.036 4.490 4.527 -0.001 0.000 0.297 332 F C 1.936 177.690 175.800 -0.077 0.000 1.089 332 F CA 0.426 58.415 58.000 -0.018 0.000 1.377 332 F CB -0.793 38.246 39.000 0.065 0.000 1.051 332 F HN -0.253 nan 8.300 nan 0.000 0.511 333 V N 1.495 121.277 119.914 -0.220 0.000 2.809 333 V HA -0.181 3.938 4.120 -0.001 0.000 0.256 333 V C 2.373 178.443 176.094 -0.041 0.000 1.080 333 V CA 1.894 64.103 62.300 -0.152 0.000 1.102 333 V CB -0.692 30.904 31.823 -0.377 0.000 0.705 333 V HN 0.516 nan 8.190 nan 0.000 0.475 334 K N -0.541 119.834 120.400 -0.041 0.000 2.288 334 K HA 0.015 4.335 4.320 -0.001 0.000 0.201 334 K C 1.768 178.379 176.600 0.018 0.000 1.048 334 K CA 1.367 57.639 56.287 -0.025 0.000 0.956 334 K CB -0.035 32.439 32.500 -0.042 0.000 0.746 334 K HN 0.568 nan 8.250 nan 0.000 0.461 335 I N -0.729 119.867 120.570 0.043 0.000 2.927 335 I HA -0.080 4.089 4.170 -0.001 0.000 0.268 335 I C 1.835 177.975 176.117 0.039 0.000 1.153 335 I CA 0.196 61.511 61.300 0.026 0.000 1.459 335 I CB 0.283 38.205 38.000 -0.130 0.000 1.149 335 I HN -0.009 nan 8.210 nan 0.000 0.443 336 S N 0.727 116.488 115.700 0.102 0.000 2.723 336 S HA 0.052 4.522 4.470 -0.001 0.000 0.231 336 S C 1.503 176.156 174.600 0.089 0.000 0.967 336 S CA 0.699 58.963 58.200 0.105 0.000 0.958 336 S CB -0.167 63.164 63.200 0.218 0.000 0.778 336 S HN 0.233 nan 8.310 nan 0.000 0.537 337 I N -0.301 120.310 120.570 0.069 0.000 3.812 337 I HA 0.176 4.345 4.170 -0.001 0.000 0.292 337 I C 1.860 178.017 176.117 0.066 0.000 1.206 337 I CA 0.494 61.825 61.300 0.051 0.000 1.370 337 I CB -1.431 36.583 38.000 0.024 0.000 1.328 337 I HN 0.331 nan 8.210 nan 0.000 0.453 338 H N 2.043 121.096 119.070 -0.028 0.000 2.491 338 H HA 0.014 4.569 4.556 -0.002 0.000 0.290 338 H C 1.664 176.970 175.328 -0.037 0.000 1.050 338 H CA 1.500 57.527 56.048 -0.035 0.000 1.309 338 H CB 0.382 30.118 29.762 -0.043 0.000 1.392 338 H HN 0.129 nan 8.280 nan 0.000 0.554 339 E N -0.148 119.980 120.200 -0.119 0.000 2.447 339 E HA 0.009 4.358 4.350 -0.001 0.000 0.195 339 E C 1.762 178.301 176.600 -0.101 0.000 1.028 339 E CA 0.789 57.090 56.400 -0.164 0.000 0.876 339 E CB 0.714 30.342 29.700 -0.120 0.000 0.885 339 E HN 0.544 nan 8.360 nan 0.000 0.500 340 V N -3.007 116.875 119.914 -0.054 0.000 3.661 340 V HA 0.116 4.235 4.120 -0.001 0.000 0.271 340 V C 2.009 178.075 176.094 -0.046 0.000 1.315 340 V CA 0.077 62.350 62.300 -0.045 0.000 1.072 340 V CB 0.124 31.945 31.823 -0.004 0.000 0.830 340 V HN -0.105 nan 8.190 nan 0.000 0.443 341 V N 0.774 120.663 119.914 -0.041 0.000 2.548 341 V HA -0.140 3.979 4.120 -0.001 0.000 0.249 341 V C 2.623 178.682 176.094 -0.057 0.000 1.055 341 V CA 2.390 64.673 62.300 -0.028 0.000 1.065 341 V CB -0.497 31.330 31.823 0.007 0.000 0.681 341 V HN 0.593 nan 8.190 nan 0.000 0.462 342 K N 1.142 121.476 120.400 -0.111 0.000 1.978 342 K HA -0.143 4.176 4.320 -0.001 0.000 0.214 342 K C 1.408 177.955 176.600 -0.089 0.000 1.049 342 K CA 1.913 58.128 56.287 -0.119 0.000 0.939 342 K CB -0.775 31.622 32.500 -0.173 0.000 0.721 342 K HN 0.477 nan 8.250 nan 0.000 0.441 343 T N 1.165 115.662 114.554 -0.094 0.000 3.953 343 T HA 0.164 4.513 4.350 -0.001 0.000 0.236 343 T C 0.817 175.462 174.700 -0.092 0.000 0.861 343 T CA 0.439 62.481 62.100 -0.097 0.000 0.909 343 T CB -0.360 68.439 68.868 -0.115 0.000 1.240 343 T HN 0.372 nan 8.240 nan 0.000 0.683 344 L N -1.528 119.654 121.223 -0.069 0.000 1.978 344 L HA 0.231 4.570 4.340 -0.001 0.000 0.210 344 L C 1.625 178.477 176.870 -0.029 0.000 1.184 344 L CA 0.250 55.060 54.840 -0.050 0.000 1.208 344 L CB -0.093 41.949 42.059 -0.028 0.000 2.497 344 L HN 0.062 nan 8.230 nan 0.000 0.519 345 V N 1.660 121.560 119.914 -0.023 0.000 2.283 345 V HA -0.183 3.936 4.120 -0.001 0.000 0.243 345 V C 2.152 178.239 176.094 -0.010 0.000 1.039 345 V CA 2.333 64.631 62.300 -0.004 0.000 1.016 345 V CB -0.568 31.254 31.823 -0.001 0.000 0.650 345 V HN 0.696 nan 8.190 nan 0.000 0.449 346 E N 1.273 121.452 120.200 -0.035 0.000 2.511 346 E HA 0.094 4.443 4.350 -0.001 0.000 0.196 346 E C 1.655 178.219 176.600 -0.060 0.000 1.066 346 E CA 0.985 57.356 56.400 -0.048 0.000 0.871 346 E CB -0.393 29.274 29.700 -0.055 0.000 0.863 346 E HN 0.499 nan 8.360 nan 0.000 0.520 347 A N 0.916 123.700 122.820 -0.059 0.000 1.874 347 A HA 0.025 4.345 4.320 -0.001 0.000 0.214 347 A C 2.074 179.630 177.584 -0.046 0.000 1.189 347 A CA 0.778 52.771 52.037 -0.073 0.000 0.615 347 A CB -0.448 18.495 19.000 -0.095 0.000 0.830 347 A HN 0.219 nan 8.150 nan 0.000 0.443 348 I N 0.479 121.043 120.570 -0.009 0.000 2.226 348 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 348 I C 2.105 178.285 176.117 0.105 0.000 1.100 348 I CA 0.949 62.282 61.300 0.054 0.000 1.374 348 I CB -0.158 37.885 38.000 0.071 0.000 1.057 348 I HN 0.253 nan 8.210 nan 0.000 0.413 349 I N -0.410 120.173 120.570 0.022 0.000 2.226 349 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 349 I C 2.420 178.397 176.117 -0.234 0.000 1.100 349 I CA 1.508 62.731 61.300 -0.130 0.000 1.374 349 I CB -1.077 36.853 38.000 -0.117 0.000 1.057 349 I HN 0.223 nan 8.210 nan 0.000 0.413 350 L N -0.138 121.009 121.223 -0.127 0.000 2.465 350 L HA -0.080 4.259 4.340 -0.001 0.000 0.224 350 L C 2.205 179.027 176.870 -0.079 0.000 1.145 350 L CA 0.473 55.245 54.840 -0.114 0.000 0.834 350 L CB 0.108 42.116 42.059 -0.085 0.000 0.944 350 L HN -0.078 nan 8.230 nan 0.000 0.451 351 V N -0.574 119.319 119.914 -0.035 0.000 2.379 351 V HA -0.214 3.906 4.120 -0.001 0.000 0.243 351 V C 1.919 178.070 176.094 0.095 0.000 1.035 351 V CA 1.747 64.060 62.300 0.022 0.000 1.035 351 V CB -0.451 31.393 31.823 0.036 0.000 0.673 351 V HN 0.610 nan 8.190 nan 0.000 0.457 352 F N -0.507 119.415 119.950 -0.045 0.000 2.780 352 F HA 0.360 4.886 4.527 -0.001 0.000 0.299 352 F C 0.765 176.564 175.800 -0.001 0.000 1.146 352 F CA -0.032 57.941 58.000 -0.044 0.000 1.428 352 F CB -0.714 38.216 39.000 -0.117 0.000 1.115 352 F HN -0.005 nan 8.300 nan 0.000 0.583 353 L N 0.169 121.245 121.223 -0.245 0.000 2.543 353 L HA 0.224 4.563 4.340 -0.001 0.000 0.231 353 L C 1.604 178.482 176.870 0.012 0.000 1.194 353 L CA -0.500 54.257 54.840 -0.138 0.000 0.823 353 L CB 0.477 42.411 42.059 -0.210 0.000 1.374 353 L HN -0.043 nan 8.230 nan 0.000 0.507 354 V N -2.011 117.935 119.914 0.054 0.000 1.811 354 V HA -0.375 3.745 4.120 -0.001 0.000 0.070 354 V C 1.128 177.313 176.094 0.152 0.000 0.464 354 V CA 1.970 64.337 62.300 0.111 0.000 1.436 354 V CB -1.639 30.206 31.823 0.036 0.000 1.695 354 V HN 0.798 nan 8.190 nan 0.000 0.836 355 M N -2.623 117.076 119.600 0.166 0.000 2.653 355 M HA 0.323 4.803 4.480 -0.001 0.000 0.259 355 M C 1.529 177.966 176.300 0.227 0.000 1.244 355 M CA 1.200 56.608 55.300 0.180 0.000 1.163 355 M CB -0.330 32.361 32.600 0.151 0.000 1.309 355 M HN 0.332 nan 8.290 nan 0.000 0.509 356 Y N 0.065 120.429 120.300 0.106 0.000 2.274 356 Y HA -0.030 4.519 4.550 -0.002 0.000 0.290 356 Y C 0.748 176.703 175.900 0.091 0.000 1.145 356 Y CA 1.004 59.163 58.100 0.099 0.000 1.203 356 Y CB 0.251 38.742 38.460 0.053 0.000 0.984 356 Y HN -0.027 nan 8.280 nan 0.000 0.533 357 L N 0.061 121.429 121.223 0.243 0.000 2.326 357 L HA 0.059 4.398 4.340 -0.001 0.000 0.278 357 L C -0.000 177.127 176.870 0.430 0.000 1.092 357 L CA 0.491 55.446 54.840 0.191 0.000 0.810 357 L CB 0.248 42.405 42.059 0.163 0.000 1.153 357 L HN 0.500 nan 8.230 nan 0.000 0.439 358 F N 1.177 121.212 119.950 0.142 0.000 2.509 358 F HA -0.386 4.140 4.527 -0.002 0.000 0.757 358 F C 1.086 176.993 175.800 0.179 0.000 0.486 358 F CA 1.467 59.563 58.000 0.160 0.000 0.816 358 F CB -1.406 37.649 39.000 0.092 0.000 1.647 358 F HN 0.391 nan 8.300 nan 0.000 0.279 359 L N -0.747 120.672 121.223 0.327 0.000 2.357 359 L HA 0.597 4.936 4.340 -0.001 0.000 0.211 359 L C 0.375 177.311 176.870 0.111 0.000 1.075 359 L CA 0.848 55.800 54.840 0.186 0.000 0.830 359 L CB -0.591 41.547 42.059 0.130 0.000 0.996 359 L HN 0.434 nan 8.230 nan 0.000 0.467 360 Q N 1.200 121.029 119.800 0.049 0.000 3.227 360 Q HA -0.061 4.278 4.340 -0.001 0.000 0.026 360 Q C -0.709 175.120 176.000 -0.284 0.000 1.706 360 Q CA 1.361 57.066 55.803 -0.163 0.000 0.243 360 Q CB -1.039 27.717 28.738 0.031 0.000 0.584 360 Q HN 0.727 nan 8.270 nan 0.000 0.322 361 N N 0.311 118.562 118.700 -0.749 0.000 4.225 361 N HA -0.144 4.596 4.740 -0.001 0.000 0.321 361 N C -0.441 175.061 175.510 -0.013 0.000 2.220 361 N CA 0.367 53.210 53.050 -0.346 0.000 2.781 361 N CB -0.550 37.893 38.487 -0.073 0.000 0.345 361 N HN 0.480 nan 8.380 nan 0.000 0.569 362 F N 2.006 122.050 119.950 0.155 0.000 2.115 362 F HA -0.157 4.369 4.527 -0.001 0.000 0.300 362 F C 2.407 178.267 175.800 0.100 0.000 1.092 362 F CA 1.735 59.878 58.000 0.240 0.000 1.245 362 F CB 0.098 39.236 39.000 0.230 0.000 0.995 362 F HN 0.473 nan 8.300 nan 0.000 0.481 363 R N -0.777 119.880 120.500 0.261 0.000 2.316 363 R HA 0.078 4.417 4.340 -0.001 0.000 0.202 363 R C 1.539 177.884 176.300 0.075 0.000 1.029 363 R CA 0.747 56.937 56.100 0.151 0.000 1.018 363 R CB -0.289 30.080 30.300 0.114 0.000 0.888 363 R HN 0.287 nan 8.270 nan 0.000 0.471 364 A N -0.009 122.843 122.820 0.054 0.000 2.340 364 A HA 0.019 4.338 4.320 -0.001 0.000 0.213 364 A C 1.805 179.399 177.584 0.017 0.000 1.299 364 A CA 0.174 52.226 52.037 0.026 0.000 0.994 364 A CB 0.198 19.209 19.000 0.019 0.000 1.132 364 A HN 0.270 nan 8.150 nan 0.000 0.519 365 T N -2.088 112.473 114.554 0.011 0.000 3.081 365 T HA 0.150 4.499 4.350 -0.001 0.000 0.255 365 T C 1.619 176.277 174.700 -0.070 0.000 1.113 365 T CA 0.395 62.504 62.100 0.014 0.000 1.082 365 T CB -0.182 68.749 68.868 0.105 0.000 0.939 365 T HN 0.121 nan 8.240 nan 0.000 0.506 366 L N 0.087 121.247 121.223 -0.105 0.000 2.217 366 L HA 0.116 4.455 4.340 -0.001 0.000 0.211 366 L C 2.276 179.121 176.870 -0.043 0.000 1.107 366 L CA 1.071 55.837 54.840 -0.122 0.000 0.783 366 L CB -0.665 41.363 42.059 -0.052 0.000 0.919 366 L HN 0.309 nan 8.230 nan 0.000 0.442 367 I N 0.733 121.295 120.570 -0.014 0.000 2.163 367 I HA -0.159 4.010 4.170 -0.001 0.000 0.240 367 I C -0.467 175.654 176.117 0.007 0.000 1.081 367 I CA 1.479 62.779 61.300 0.001 0.000 1.353 367 I CB -1.608 36.391 38.000 -0.003 0.000 1.054 367 I HN 0.159 nan 8.210 nan 0.000 0.407 368 P HA -0.026 nan 4.420 nan 0.000 0.242 368 P C 0.984 178.291 177.300 0.012 0.000 1.197 368 P CA 1.300 64.408 63.100 0.014 0.000 0.765 368 P CB -0.269 31.444 31.700 0.021 0.000 0.936 369 T N -4.623 109.930 114.554 -0.001 0.000 2.990 369 T HA 0.150 4.499 4.350 -0.001 0.000 0.250 369 T C 1.586 176.280 174.700 -0.011 0.000 1.041 369 T CA 0.003 62.097 62.100 -0.011 0.000 1.010 369 T CB -0.647 68.187 68.868 -0.057 0.000 1.003 369 T HN -0.163 nan 8.240 nan 0.000 0.499 370 I N 2.128 122.704 120.570 0.010 0.000 2.928 370 I HA 0.299 4.468 4.170 -0.001 0.000 0.266 370 I C 2.575 178.725 176.117 0.056 0.000 1.234 370 I CA 0.221 61.551 61.300 0.051 0.000 1.483 370 I CB -0.371 37.703 38.000 0.124 0.000 1.097 370 I HN 0.380 nan 8.210 nan 0.000 0.455 371 A N -0.242 122.600 122.820 0.037 0.000 2.016 371 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 371 A C 2.328 179.914 177.584 0.005 0.000 1.162 371 A CA 1.403 53.456 52.037 0.028 0.000 0.662 371 A CB -0.841 18.172 19.000 0.022 0.000 0.812 371 A HN 0.302 nan 8.150 nan 0.000 0.450 372 V N -2.545 117.368 119.914 -0.002 0.000 2.548 372 V HA -0.055 4.064 4.120 -0.001 0.000 0.249 372 V C -0.357 175.722 176.094 -0.025 0.000 1.055 372 V CA 1.511 63.801 62.300 -0.017 0.000 1.065 372 V CB -2.063 29.750 31.823 -0.017 0.000 0.681 372 V HN 0.314 nan 8.190 nan 0.000 0.462 373 P HA -0.031 nan 4.420 nan 0.000 0.216 373 P C 2.057 179.323 177.300 -0.057 0.000 1.153 373 P CA 1.522 64.609 63.100 -0.021 0.000 0.848 373 P CB -0.197 31.498 31.700 -0.009 0.000 0.787 374 V N 0.233 120.120 119.914 -0.045 0.000 2.343 374 V HA -0.212 3.907 4.120 -0.001 0.000 0.247 374 V C 2.586 178.620 176.094 -0.100 0.000 1.051 374 V CA 2.245 64.510 62.300 -0.059 0.000 1.036 374 V CB -1.756 30.058 31.823 -0.015 0.000 0.654 374 V HN 0.038 nan 8.190 nan 0.000 0.451 375 V N -1.833 118.028 119.914 -0.087 0.000 2.358 375 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 375 V C 2.252 178.239 176.094 -0.179 0.000 1.047 375 V CA 1.660 63.896 62.300 -0.107 0.000 1.035 375 V CB -0.831 30.951 31.823 -0.068 0.000 0.658 375 V HN 0.406 nan 8.190 nan 0.000 0.452 376 L N -0.729 120.384 121.223 -0.184 0.000 2.027 376 L HA -0.042 4.298 4.340 -0.001 0.000 0.206 376 L C 2.722 179.183 176.870 -0.683 0.000 1.074 376 L CA 1.309 55.998 54.840 -0.251 0.000 0.745 376 L CB -0.471 41.540 42.059 -0.081 0.000 0.898 376 L HN 0.258 nan 8.230 nan 0.000 0.433 377 L N -0.387 120.475 121.223 -0.602 0.000 2.079 377 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 377 L C 2.545 178.923 176.870 -0.821 0.000 1.081 377 L CA 2.122 56.436 54.840 -0.878 0.000 0.752 377 L CB -1.872 40.038 42.059 -0.248 0.000 0.896 377 L HN 0.371 nan 8.230 nan 0.000 0.433 378 G N -1.398 107.131 108.800 -0.452 0.000 2.422 378 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.218 378 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.218 378 G C 1.574 176.307 174.900 -0.277 0.000 1.140 378 G CA 1.056 45.989 45.100 -0.278 0.000 0.775 378 G HN 0.348 nan 8.290 nan 0.000 0.545 379 T N 1.682 116.017 114.554 -0.364 0.000 2.812 379 T HA -0.093 4.256 4.350 -0.001 0.000 0.264 379 T C 1.773 176.386 174.700 -0.145 0.000 1.042 379 T CA 1.162 63.117 62.100 -0.243 0.000 1.140 379 T CB -0.333 68.406 68.868 -0.216 0.000 0.870 379 T HN 0.484 nan 8.240 nan 0.000 0.445 380 F N 0.788 120.729 119.950 -0.016 0.000 2.769 380 F HA 0.704 5.231 4.527 -0.002 0.000 0.304 380 F C 1.738 177.556 175.800 0.031 0.000 1.158 380 F CA -0.905 57.104 58.000 0.014 0.000 1.398 380 F CB -0.912 38.100 39.000 0.020 0.000 1.094 380 F HN 0.088 nan 8.300 nan 0.000 0.553 381 A N 0.132 122.996 122.820 0.072 0.000 1.973 381 A HA 0.183 4.502 4.320 -0.001 0.000 0.210 381 A C 1.687 179.330 177.584 0.098 0.000 1.200 381 A CA 0.830 52.921 52.037 0.091 0.000 0.707 381 A CB -0.687 18.319 19.000 0.010 0.000 0.862 381 A HN 0.259 nan 8.150 nan 0.000 0.461 382 V N 0.699 120.666 119.914 0.089 0.000 3.499 382 V HA 0.196 4.315 4.120 -0.001 0.000 0.308 382 V C 1.407 177.698 176.094 0.327 0.000 1.319 382 V CA 0.323 62.726 62.300 0.172 0.000 1.194 382 V CB -0.709 31.189 31.823 0.126 0.000 1.072 382 V HN 0.522 nan 8.190 nan 0.000 0.426 383 L N 0.093 121.477 121.223 0.269 0.000 2.068 383 L HA 0.082 4.421 4.340 -0.001 0.000 0.204 383 L C 2.753 179.833 176.870 0.349 0.000 1.076 383 L CA 1.485 56.555 54.840 0.384 0.000 0.753 383 L CB -0.734 41.505 42.059 0.300 0.000 0.910 383 L HN 0.441 nan 8.230 nan 0.000 0.439 384 A N 0.556 123.473 122.820 0.162 0.000 1.902 384 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 384 A C 1.498 178.976 177.584 -0.177 0.000 1.181 384 A CA 0.808 52.859 52.037 0.025 0.000 0.623 384 A CB -0.796 18.226 19.000 0.036 0.000 0.818 384 A HN 0.349 nan 8.150 nan 0.000 0.443 385 A N -2.062 120.676 122.820 -0.137 0.000 2.622 385 A HA 0.228 4.548 4.320 -0.001 0.000 0.236 385 A C 0.652 177.872 177.584 -0.608 0.000 1.003 385 A CA 0.978 52.884 52.037 -0.218 0.000 0.781 385 A CB -0.803 18.242 19.000 0.075 0.000 0.902 385 A HN 1.479 nan 8.150 nan 0.000 0.496 386 F N 0.494 120.195 119.950 -0.415 0.000 2.525 386 F HA -0.345 4.181 4.527 -0.001 0.000 0.754 386 F C 1.329 176.926 175.800 -0.339 0.000 0.493 386 F CA 2.273 60.076 58.000 -0.327 0.000 0.761 386 F CB -0.978 37.891 39.000 -0.218 0.000 1.599 386 F HN 1.256 nan 8.300 nan 0.000 0.278 387 G N -0.253 108.538 108.800 -0.015 0.000 5.102 387 G HA2 0.464 4.423 3.960 -0.001 0.000 0.212 387 G HA3 0.464 4.423 3.960 -0.001 0.000 0.212 387 G C -0.828 174.081 174.900 0.015 0.000 0.832 387 G CA 0.109 45.216 45.100 0.012 0.000 0.718 387 G HN 0.607 nan 8.290 nan 0.000 0.506 388 F N -0.654 119.383 119.950 0.146 0.000 3.255 388 F HA 0.778 5.304 4.527 -0.001 0.000 0.204 388 F C 1.104 176.988 175.800 0.139 0.000 1.613 388 F CA -0.941 57.135 58.000 0.127 0.000 0.925 388 F CB -0.406 38.678 39.000 0.139 0.000 1.893 388 F HN -0.090 nan 8.300 nan 0.000 0.306 389 S N -0.000 116.095 115.700 0.658 0.000 2.629 389 S HA 0.420 4.889 4.470 -0.001 0.000 0.250 389 S C -0.323 174.466 174.600 0.314 0.000 1.318 389 S CA 0.344 58.802 58.200 0.431 0.000 0.970 389 S CB -0.126 63.411 63.200 0.562 0.000 0.996 389 S HN 0.506 nan 8.310 nan 0.000 0.563 390 I N 1.623 122.365 120.570 0.286 0.000 5.512 390 I HA -0.082 4.087 4.170 -0.001 0.000 0.273 390 I C -1.494 174.718 176.117 0.158 0.000 1.813 390 I CA -0.201 61.221 61.300 0.203 0.000 2.031 390 I CB -0.649 37.437 38.000 0.143 0.000 3.352 390 I HN 0.562 nan 8.210 nan 0.000 0.172 391 N N 2.046 120.852 118.700 0.177 0.000 3.039 391 N HA 0.577 5.316 4.740 -0.001 0.000 0.257 391 N C -0.644 174.952 175.510 0.143 0.000 1.497 391 N CA -0.573 52.564 53.050 0.144 0.000 0.861 391 N CB 1.693 40.271 38.487 0.151 0.000 1.479 391 N HN 0.168 nan 8.380 nan 0.000 0.547 392 T N 0.384 115.013 114.554 0.126 0.000 2.880 392 T HA 0.366 4.715 4.350 -0.001 0.000 0.279 392 T C 1.282 176.102 174.700 0.200 0.000 0.990 392 T CA -0.250 61.938 62.100 0.147 0.000 0.938 392 T CB 0.778 69.711 68.868 0.109 0.000 1.206 392 T HN 0.670 nan 8.240 nan 0.000 0.573 393 L N -0.514 120.857 121.223 0.246 0.000 4.894 393 L HA -0.307 4.032 4.340 -0.001 0.000 0.391 393 L C 1.676 178.741 176.870 0.325 0.000 0.780 393 L CA 3.152 58.177 54.840 0.309 0.000 2.289 393 L CB -2.444 39.760 42.059 0.241 0.000 1.102 393 L HN 0.999 nan 8.230 nan 0.000 0.635 394 T N -3.740 110.986 114.554 0.287 0.000 3.043 394 T HA 0.111 4.460 4.350 -0.001 0.000 0.263 394 T C 1.564 176.414 174.700 0.249 0.000 1.094 394 T CA 1.124 63.441 62.100 0.363 0.000 1.127 394 T CB -0.241 68.930 68.868 0.506 0.000 0.905 394 T HN 0.514 nan 8.240 nan 0.000 0.490 395 M N -0.551 119.176 119.600 0.212 0.000 2.486 395 M HA 0.314 4.793 4.480 -0.001 0.000 0.264 395 M C 1.744 178.124 176.300 0.132 0.000 1.125 395 M CA 0.546 55.937 55.300 0.152 0.000 1.144 395 M CB -0.098 32.572 32.600 0.116 0.000 1.353 395 M HN 0.315 nan 8.290 nan 0.000 0.466 396 F N 0.555 120.518 119.950 0.022 0.000 2.163 396 F HA 0.105 4.631 4.527 -0.001 0.000 0.297 396 F C 1.978 177.732 175.800 -0.077 0.000 1.094 396 F CA 1.652 59.626 58.000 -0.043 0.000 1.290 396 F CB -0.441 38.523 39.000 -0.060 0.000 1.017 396 F HN 0.030 nan 8.300 nan 0.000 0.483 397 G N -0.016 108.772 108.800 -0.019 0.000 2.744 397 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.211 397 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.211 397 G C 1.410 176.253 174.900 -0.096 0.000 1.143 397 G CA 0.498 45.529 45.100 -0.115 0.000 0.788 397 G HN 0.402 nan 8.290 nan 0.000 0.534 398 M N 0.351 119.921 119.600 -0.051 0.000 2.229 398 M HA 0.027 4.506 4.480 -0.001 0.000 0.264 398 M C 2.350 178.581 176.300 -0.115 0.000 1.063 398 M CA 1.056 56.326 55.300 -0.049 0.000 1.114 398 M CB -0.005 32.610 32.600 0.024 0.000 1.387 398 M HN 0.030 nan 8.290 nan 0.000 0.420 399 V N -0.381 119.418 119.914 -0.191 0.000 2.515 399 V HA -0.209 3.910 4.120 -0.001 0.000 0.250 399 V C 2.171 178.123 176.094 -0.236 0.000 1.058 399 V CA 1.216 63.380 62.300 -0.226 0.000 1.064 399 V CB -0.730 30.915 31.823 -0.297 0.000 0.675 399 V HN 0.440 nan 8.190 nan 0.000 0.461 400 L N 0.361 121.431 121.223 -0.255 0.000 2.291 400 L HA 0.092 4.431 4.340 -0.001 0.000 0.214 400 L C 2.223 179.033 176.870 -0.099 0.000 1.120 400 L CA 1.775 56.512 54.840 -0.172 0.000 0.799 400 L CB -0.528 41.435 42.059 -0.160 0.000 0.925 400 L HN 0.250 nan 8.230 nan 0.000 0.446 401 A N -1.486 121.266 122.820 -0.113 0.000 2.195 401 A HA 0.115 4.435 4.320 -0.001 0.000 0.210 401 A C 2.015 179.539 177.584 -0.100 0.000 1.165 401 A CA 0.152 52.139 52.037 -0.083 0.000 0.806 401 A CB -0.573 18.366 19.000 -0.102 0.000 0.847 401 A HN 0.348 nan 8.150 nan 0.000 0.482 402 I N -0.045 120.436 120.570 -0.148 0.000 3.164 402 I HA -0.154 4.015 4.170 -0.001 0.000 0.278 402 I C 2.106 178.072 176.117 -0.252 0.000 1.320 402 I CA 0.799 61.999 61.300 -0.168 0.000 1.422 402 I CB 0.077 37.981 38.000 -0.160 0.000 1.066 402 I HN 0.423 nan 8.210 nan 0.000 0.503 403 G N 0.194 108.783 108.800 -0.350 0.000 2.556 403 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.209 403 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.209 403 G C 1.490 176.289 174.900 -0.168 0.000 1.159 403 G CA -0.134 44.543 45.100 -0.705 0.000 0.828 403 G HN 0.283 nan 8.290 nan 0.000 0.553 404 L N 0.934 122.224 121.223 0.112 0.000 2.141 404 L HA 0.007 4.346 4.340 -0.001 0.000 0.209 404 L C 2.624 179.548 176.870 0.090 0.000 1.094 404 L CA 1.005 55.968 54.840 0.204 0.000 0.763 404 L CB -0.135 42.052 42.059 0.214 0.000 0.908 404 L HN 0.304 nan 8.230 nan 0.000 0.437 405 L N -3.257 117.979 121.223 0.022 0.000 2.201 405 L HA -0.045 4.294 4.340 -0.001 0.000 0.212 405 L C 2.143 179.010 176.870 -0.006 0.000 1.105 405 L CA 1.134 55.974 54.840 -0.001 0.000 0.775 405 L CB -1.407 40.633 42.059 -0.032 0.000 0.913 405 L HN -0.084 nan 8.230 nan 0.000 0.440 406 V N 0.495 120.395 119.914 -0.024 0.000 2.488 406 V HA -0.086 4.033 4.120 -0.001 0.000 0.246 406 V C 2.909 179.015 176.094 0.021 0.000 1.046 406 V CA 1.367 63.655 62.300 -0.020 0.000 1.053 406 V CB -1.028 30.755 31.823 -0.067 0.000 0.679 406 V HN 0.556 nan 8.190 nan 0.000 0.458 407 A N 0.360 123.220 122.820 0.065 0.000 1.824 407 A HA -0.273 4.046 4.320 -0.001 0.000 0.215 407 A C 2.053 179.676 177.584 0.064 0.000 1.209 407 A CA 2.041 54.142 52.037 0.105 0.000 0.614 407 A CB -0.950 18.171 19.000 0.202 0.000 0.852 407 A HN 0.462 nan 8.150 nan 0.000 0.447 408 D N -0.471 119.964 120.400 0.058 0.000 2.384 408 D HA 0.067 4.706 4.640 -0.001 0.000 0.222 408 D C 1.823 178.140 176.300 0.028 0.000 0.976 408 D CA 0.964 54.986 54.000 0.037 0.000 0.915 408 D CB -0.110 40.707 40.800 0.029 0.000 0.896 408 D HN 0.349 nan 8.370 nan 0.000 0.523 409 A N 0.072 122.909 122.820 0.028 0.000 1.929 409 A HA -0.046 4.273 4.320 -0.001 0.000 0.216 409 A C 2.331 179.931 177.584 0.027 0.000 1.176 409 A CA 0.409 52.459 52.037 0.023 0.000 0.628 409 A CB -0.557 18.454 19.000 0.019 0.000 0.816 409 A HN 0.333 nan 8.150 nan 0.000 0.444 410 I N -0.022 120.566 120.570 0.030 0.000 2.335 410 I HA -0.236 3.933 4.170 -0.001 0.000 0.251 410 I C 2.193 178.338 176.117 0.046 0.000 1.129 410 I CA 1.144 62.462 61.300 0.030 0.000 1.402 410 I CB 0.062 38.072 38.000 0.017 0.000 1.069 410 I HN 0.196 nan 8.210 nan 0.000 0.424 411 V N 0.660 120.610 119.914 0.059 0.000 2.261 411 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 411 V C 2.445 178.594 176.094 0.092 0.000 1.047 411 V CA 2.002 64.361 62.300 0.097 0.000 1.015 411 V CB -0.926 30.951 31.823 0.090 0.000 0.642 411 V HN 0.518 nan 8.190 nan 0.000 0.446 412 V N -1.930 118.017 119.914 0.054 0.000 2.809 412 V HA -0.087 4.032 4.120 -0.001 0.000 0.256 412 V C 2.123 178.241 176.094 0.040 0.000 1.080 412 V CA 1.590 63.916 62.300 0.044 0.000 1.102 412 V CB -0.612 31.224 31.823 0.021 0.000 0.705 412 V HN 0.297 nan 8.190 nan 0.000 0.475 413 V N 2.302 122.239 119.914 0.038 0.000 2.302 413 V HA -0.144 3.975 4.120 -0.001 0.000 0.243 413 V C 2.733 178.851 176.094 0.040 0.000 1.036 413 V CA 2.121 64.440 62.300 0.031 0.000 1.020 413 V CB -0.681 31.158 31.823 0.026 0.000 0.657 413 V HN 0.808 nan 8.190 nan 0.000 0.453 414 E N 0.490 120.721 120.200 0.052 0.000 2.418 414 E HA -0.164 4.185 4.350 -0.001 0.000 0.197 414 E C 1.653 178.291 176.600 0.064 0.000 1.026 414 E CA 1.478 57.913 56.400 0.057 0.000 0.862 414 E CB -0.949 28.787 29.700 0.060 0.000 0.799 414 E HN 0.682 nan 8.360 nan 0.000 0.518 415 N N -0.029 118.717 118.700 0.076 0.000 2.309 415 N HA -0.105 4.634 4.740 -0.001 0.000 0.182 415 N C 1.064 176.610 175.510 0.059 0.000 1.018 415 N CA 1.068 54.170 53.050 0.088 0.000 0.876 415 N CB 0.203 38.755 38.487 0.107 0.000 0.972 415 N HN 0.121 nan 8.380 nan 0.000 0.434 416 V N -0.093 119.847 119.914 0.044 0.000 2.871 416 V HA -0.059 4.060 4.120 -0.001 0.000 0.256 416 V C 1.772 177.883 176.094 0.029 0.000 1.082 416 V CA 1.183 63.501 62.300 0.030 0.000 1.105 416 V CB -0.333 31.502 31.823 0.019 0.000 0.713 416 V HN 0.228 nan 8.190 nan 0.000 0.473 417 E N 0.084 120.304 120.200 0.035 0.000 2.358 417 E HA -0.057 4.292 4.350 -0.001 0.000 0.195 417 E C 2.121 178.741 176.600 0.034 0.000 1.010 417 E CA 0.501 56.921 56.400 0.033 0.000 0.856 417 E CB 0.076 29.802 29.700 0.042 0.000 0.795 417 E HN 0.476 nan 8.360 nan 0.000 0.504 418 R N -0.592 119.929 120.500 0.035 0.000 2.056 418 R HA 0.018 4.357 4.340 -0.001 0.000 0.220 418 R C 1.602 177.919 176.300 0.028 0.000 1.187 418 R CA 1.386 57.505 56.100 0.031 0.000 0.932 418 R CB -0.627 29.690 30.300 0.029 0.000 0.821 418 R HN 0.124 nan 8.270 nan 0.000 0.449 419 V N -0.130 119.802 119.914 0.030 0.000 3.451 419 V HA 0.103 4.223 4.120 -0.001 0.000 0.332 419 V C 1.044 177.149 176.094 0.019 0.000 1.198 419 V CA 0.739 63.054 62.300 0.025 0.000 1.317 419 V CB -0.291 31.550 31.823 0.029 0.000 1.117 419 V HN 0.335 nan 8.190 nan 0.000 0.421 420 M N 0.275 119.885 119.600 0.017 0.000 2.069 420 M HA 0.378 4.857 4.480 -0.001 0.000 0.208 420 M C 1.869 178.174 176.300 0.009 0.000 1.459 420 M CA 1.300 56.606 55.300 0.011 0.000 0.992 420 M CB 0.429 33.036 32.600 0.011 0.000 1.566 420 M HN 0.389 nan 8.290 nan 0.000 0.571 421 A N 0.552 123.378 122.820 0.011 0.000 2.119 421 A HA 0.002 4.321 4.320 -0.001 0.000 0.216 421 A C 1.643 179.233 177.584 0.009 0.000 1.152 421 A CA 1.167 53.208 52.037 0.006 0.000 0.708 421 A CB -0.279 18.725 19.000 0.007 0.000 0.805 421 A HN 0.662 nan 8.150 nan 0.000 0.460 422 E N -0.201 120.009 120.200 0.017 0.000 2.094 422 E HA -0.053 4.297 4.350 -0.001 0.000 0.193 422 E C 1.180 177.788 176.600 0.013 0.000 0.950 422 E CA 0.783 57.195 56.400 0.019 0.000 0.842 422 E CB -0.050 29.666 29.700 0.027 0.000 0.816 422 E HN 0.657 nan 8.360 nan 0.000 0.465 423 E N -0.024 120.184 120.200 0.013 0.000 2.474 423 E HA 0.133 4.482 4.350 -0.001 0.000 0.195 423 E C 1.168 177.772 176.600 0.006 0.000 1.039 423 E CA 0.661 57.067 56.400 0.010 0.000 0.881 423 E CB 1.171 30.878 29.700 0.012 0.000 0.970 423 E HN 0.390 nan 8.360 nan 0.000 0.486 424 G N 2.043 110.845 108.800 0.005 0.000 2.640 424 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.226 424 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.226 424 G C 0.385 175.286 174.900 0.002 0.000 1.222 424 G CA 0.263 45.364 45.100 0.002 0.000 0.729 424 G HN 0.301 nan 8.290 nan 0.000 0.516 425 L N 1.016 122.241 121.223 0.003 0.000 2.559 425 L HA 0.502 4.841 4.340 -0.001 0.000 0.274 425 L C -0.689 176.183 176.870 0.003 0.000 1.205 425 L CA -0.695 54.147 54.840 0.003 0.000 0.907 425 L CB -0.391 41.669 42.059 0.003 0.000 1.153 425 L HN 0.091 nan 8.230 nan 0.000 0.490 426 P HA 0.092 nan 4.420 nan 0.000 0.199 426 P C -1.847 175.452 177.300 -0.001 0.000 1.169 426 P CA 0.909 64.009 63.100 -0.000 0.000 0.900 426 P CB -0.787 30.912 31.700 -0.002 0.000 0.733 427 P HA 0.164 nan 4.420 nan 0.000 0.285 427 P C 0.444 177.739 177.300 -0.008 0.000 1.319 427 P CA 0.525 63.620 63.100 -0.007 0.000 0.786 427 P CB 0.000 31.694 31.700 -0.010 0.000 1.899 428 K N -0.079 120.314 120.400 -0.012 0.000 2.665 428 K HA -0.036 4.283 4.320 -0.001 0.000 0.196 428 K C 0.538 177.133 176.600 -0.009 0.000 1.021 428 K CA 0.760 57.038 56.287 -0.014 0.000 1.066 428 K CB -0.244 32.245 32.500 -0.018 0.000 0.849 428 K HN 0.250 nan 8.250 nan 0.000 0.500 429 E N -0.731 119.467 120.200 -0.005 0.000 2.572 429 E HA 0.106 4.455 4.350 -0.001 0.000 0.220 429 E C 0.682 177.285 176.600 0.005 0.000 0.945 429 E CA -0.011 56.388 56.400 -0.001 0.000 1.070 429 E CB 0.902 30.601 29.700 -0.001 0.000 1.090 429 E HN 0.204 nan 8.360 nan 0.000 0.506 430 A N 0.607 123.431 122.820 0.005 0.000 2.412 430 A HA 0.200 4.519 4.320 -0.001 0.000 0.253 430 A C 0.757 178.351 177.584 0.018 0.000 1.334 430 A CA 0.580 52.625 52.037 0.012 0.000 0.929 430 A CB -0.371 18.635 19.000 0.011 0.000 0.983 430 A HN 0.141 nan 8.150 nan 0.000 0.508 431 T N -3.163 111.399 114.554 0.015 0.000 3.270 431 T HA 0.075 4.424 4.350 -0.001 0.000 0.279 431 T C 1.430 176.138 174.700 0.013 0.000 0.857 431 T CA 0.036 62.148 62.100 0.019 0.000 0.849 431 T CB -0.132 68.744 68.868 0.013 0.000 1.241 431 T HN 0.319 nan 8.240 nan 0.000 0.663 432 R N 2.420 122.924 120.500 0.006 0.000 2.122 432 R HA 0.018 4.357 4.340 -0.001 0.000 0.236 432 R C 1.227 177.529 176.300 0.003 0.000 1.129 432 R CA 1.429 57.529 56.100 0.000 0.000 0.925 432 R CB -0.063 30.235 30.300 -0.002 0.000 0.850 432 R HN 0.007 nan 8.270 nan 0.000 0.431 433 K N 0.150 120.556 120.400 0.010 0.000 2.559 433 K HA 0.182 4.501 4.320 -0.001 0.000 0.236 433 K C -0.610 176.010 176.600 0.033 0.000 1.185 433 K CA 0.134 56.430 56.287 0.015 0.000 1.157 433 K CB 0.600 33.108 32.500 0.013 0.000 1.782 433 K HN 0.204 nan 8.250 nan 0.000 0.419 434 S N 0.395 116.117 115.700 0.035 0.000 2.917 434 S HA 0.119 4.588 4.470 -0.001 0.000 0.269 434 S C 1.046 175.675 174.600 0.049 0.000 1.072 434 S CA -0.289 57.951 58.200 0.067 0.000 0.967 434 S CB 0.141 63.385 63.200 0.073 0.000 0.906 434 S HN 0.397 nan 8.310 nan 0.000 0.463 435 M N 2.086 121.694 119.600 0.013 0.000 2.696 435 M HA 0.179 4.658 4.480 -0.001 0.000 0.220 435 M C 1.610 177.884 176.300 -0.043 0.000 1.133 435 M CA 0.334 55.620 55.300 -0.023 0.000 1.016 435 M CB -0.250 32.337 32.600 -0.020 0.000 1.740 435 M HN 0.387 nan 8.290 nan 0.000 0.502 436 G N -0.427 108.358 108.800 -0.025 0.000 2.796 436 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.210 436 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.210 436 G C 1.400 176.272 174.900 -0.048 0.000 1.146 436 G CA -0.035 45.044 45.100 -0.035 0.000 0.779 436 G HN 0.412 nan 8.290 nan 0.000 0.535 437 Q N -0.674 119.100 119.800 -0.045 0.000 2.402 437 Q HA 0.207 4.546 4.340 -0.001 0.000 0.206 437 Q C 0.951 176.775 176.000 -0.294 0.000 0.919 437 Q CA 0.317 56.066 55.803 -0.089 0.000 0.923 437 Q CB 0.457 29.245 28.738 0.084 0.000 1.048 437 Q HN 0.507 nan 8.270 nan 0.000 0.515 438 I N 0.330 120.737 120.570 -0.271 0.000 3.856 438 I HA -0.040 4.129 4.170 -0.001 0.000 0.330 438 I C 1.597 177.617 176.117 -0.161 0.000 1.546 438 I CA -0.005 61.121 61.300 -0.289 0.000 1.132 438 I CB 0.306 38.121 38.000 -0.309 0.000 1.157 438 I HN 0.063 nan 8.210 nan 0.000 0.440 439 Q N 1.439 121.156 119.800 -0.138 0.000 1.956 439 Q HA -0.152 4.187 4.340 -0.001 0.000 0.208 439 Q C 2.049 177.981 176.000 -0.113 0.000 0.998 439 Q CA 2.140 57.876 55.803 -0.111 0.000 0.855 439 Q CB -1.000 27.672 28.738 -0.109 0.000 0.928 439 Q HN 0.408 nan 8.270 nan 0.000 0.418 440 G N -0.153 108.550 108.800 -0.161 0.000 2.683 440 G HA2 0.217 4.176 3.960 -0.001 0.000 0.213 440 G HA3 0.217 4.176 3.960 -0.001 0.000 0.213 440 G C 1.260 176.134 174.900 -0.042 0.000 1.142 440 G CA 0.232 45.237 45.100 -0.158 0.000 0.793 440 G HN 0.511 nan 8.290 nan 0.000 0.534 441 A N -0.020 122.770 122.820 -0.049 0.000 2.259 441 A HA 0.468 4.787 4.320 -0.001 0.000 0.208 441 A C 1.719 179.270 177.584 -0.055 0.000 1.201 441 A CA 0.348 52.386 52.037 0.002 0.000 0.824 441 A CB -0.066 18.891 19.000 -0.073 0.000 0.838 441 A HN 0.348 nan 8.150 nan 0.000 0.485 442 L N -1.597 119.594 121.223 -0.054 0.000 2.600 442 L HA 0.176 4.515 4.340 -0.001 0.000 0.213 442 L C 1.913 178.770 176.870 -0.021 0.000 1.045 442 L CA 1.317 56.131 54.840 -0.043 0.000 0.863 442 L CB -0.096 41.932 42.059 -0.051 0.000 1.189 442 L HN 0.186 nan 8.230 nan 0.000 0.484 443 V N -0.115 119.786 119.914 -0.022 0.000 2.391 443 V HA 0.152 4.271 4.120 -0.001 0.000 0.237 443 V C 2.181 178.276 176.094 0.002 0.000 1.046 443 V CA 1.298 63.592 62.300 -0.011 0.000 1.053 443 V CB -1.023 30.787 31.823 -0.021 0.000 0.704 443 V HN 0.461 nan 8.190 nan 0.000 0.475 444 G N 0.545 109.350 108.800 0.008 0.000 3.094 444 G HA2 0.007 3.966 3.960 -0.001 0.000 0.208 444 G HA3 0.007 3.966 3.960 -0.001 0.000 0.208 444 G C 1.216 176.155 174.900 0.065 0.000 1.189 444 G CA 0.678 45.801 45.100 0.038 0.000 0.856 444 G HN 0.658 nan 8.290 nan 0.000 0.510 445 I N -1.321 119.268 120.570 0.032 0.000 2.146 445 I HA 0.183 4.352 4.170 -0.001 0.000 0.231 445 I C 2.284 178.365 176.117 -0.060 0.000 1.063 445 I CA 1.208 62.503 61.300 -0.008 0.000 1.340 445 I CB -0.352 37.633 38.000 -0.025 0.000 1.100 445 I HN -0.006 nan 8.210 nan 0.000 0.403 446 A N 0.706 123.489 122.820 -0.063 0.000 2.346 446 A HA 0.305 4.625 4.320 -0.001 0.000 0.242 446 A C 1.812 179.369 177.584 -0.045 0.000 1.323 446 A CA -0.009 51.967 52.037 -0.102 0.000 0.940 446 A CB -0.684 18.270 19.000 -0.076 0.000 0.943 446 A HN 0.521 nan 8.150 nan 0.000 0.501 447 M N -0.491 119.094 119.600 -0.023 0.000 2.492 447 M HA -0.027 4.452 4.480 -0.001 0.000 0.262 447 M C 1.495 177.782 176.300 -0.021 0.000 1.090 447 M CA 1.403 56.701 55.300 -0.003 0.000 1.110 447 M CB -0.288 32.322 32.600 0.016 0.000 1.407 447 M HN 0.647 nan 8.290 nan 0.000 0.470 448 V N -3.793 116.083 119.914 -0.063 0.000 3.380 448 V HA 0.105 4.224 4.120 -0.001 0.000 0.277 448 V C 1.327 177.322 176.094 -0.166 0.000 1.590 448 V CA -0.035 62.213 62.300 -0.086 0.000 1.019 448 V CB -0.704 31.079 31.823 -0.066 0.000 0.828 448 V HN 0.315 nan 8.190 nan 0.000 0.427 449 L N -0.437 120.640 121.223 -0.243 0.000 2.567 449 L HA 0.490 4.829 4.340 -0.001 0.000 0.225 449 L C 1.716 178.123 176.870 -0.771 0.000 1.119 449 L CA 1.235 55.817 54.840 -0.430 0.000 0.871 449 L CB -0.273 41.540 42.059 -0.409 0.000 1.036 449 L HN 0.157 nan 8.230 nan 0.000 0.459 450 S N 0.287 115.728 115.700 -0.432 0.000 3.324 450 S HA 0.570 5.039 4.470 -0.001 0.000 0.229 450 S C 1.118 175.675 174.600 -0.071 0.000 1.417 450 S CA 0.284 58.362 58.200 -0.203 0.000 1.211 450 S CB -0.004 63.215 63.200 0.032 0.000 1.157 450 S HN 0.519 nan 8.310 nan 0.000 0.491 451 A N 0.755 123.489 122.820 -0.143 0.000 1.969 451 A HA 0.227 4.546 4.320 -0.001 0.000 0.205 451 A C 1.870 179.424 177.584 -0.050 0.000 1.364 451 A CA 0.734 52.732 52.037 -0.066 0.000 0.756 451 A CB -0.634 18.322 19.000 -0.073 0.000 0.988 451 A HN 0.917 nan 8.150 nan 0.000 0.490 452 V N -2.223 117.668 119.914 -0.038 0.000 2.970 452 V HA 0.125 4.244 4.120 -0.001 0.000 0.260 452 V C 1.191 177.463 176.094 0.297 0.000 1.100 452 V CA 0.422 62.736 62.300 0.024 0.000 1.122 452 V CB -1.523 30.349 31.823 0.081 0.000 0.721 452 V HN 0.327 nan 8.190 nan 0.000 0.483 453 F N -0.014 119.894 119.950 -0.070 0.000 2.375 453 F HA 0.509 5.035 4.527 -0.002 0.000 0.317 453 F C 1.876 177.629 175.800 -0.079 0.000 1.124 453 F CA -0.548 57.425 58.000 -0.044 0.000 1.050 453 F CB 1.202 40.190 39.000 -0.019 0.000 1.314 453 F HN 0.024 nan 8.300 nan 0.000 0.511 454 V N -2.930 117.065 119.914 0.134 0.000 0.657 454 V HA -0.431 3.688 4.120 -0.001 0.000 0.092 454 V C -1.373 174.598 176.094 -0.206 0.000 1.253 454 V CA 1.888 64.182 62.300 -0.008 0.000 3.207 454 V CB -2.951 28.884 31.823 0.020 0.000 0.436 454 V HN 0.691 nan 8.190 nan 0.000 0.427 455 P HA -0.221 nan 4.420 nan 0.000 0.221 455 P C 1.700 178.366 177.300 -1.057 0.000 1.151 455 P CA 2.755 65.364 63.100 -0.817 0.000 0.843 455 P CB -0.366 31.146 31.700 -0.313 0.000 0.778 456 M N -1.873 117.442 119.600 -0.475 0.000 2.706 456 M HA -0.040 4.439 4.480 -0.001 0.000 0.251 456 M C 1.789 177.995 176.300 -0.157 0.000 1.070 456 M CA 0.800 55.929 55.300 -0.286 0.000 1.073 456 M CB -1.349 31.199 32.600 -0.086 0.000 1.449 456 M HN -0.126 nan 8.290 nan 0.000 0.531 457 A N -0.289 122.317 122.820 -0.357 0.000 2.119 457 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 457 A C 0.419 177.692 177.584 -0.518 0.000 1.153 457 A CA 0.462 52.390 52.037 -0.182 0.000 0.692 457 A CB -0.907 18.009 19.000 -0.139 0.000 0.799 457 A HN 0.448 nan 8.150 nan 0.000 0.458 458 F N 0.680 120.440 119.950 -0.316 0.000 2.467 458 F HA 0.525 5.051 4.527 -0.002 0.000 0.349 458 F C 0.139 175.747 175.800 -0.321 0.000 1.182 458 F CA -2.417 55.320 58.000 -0.438 0.000 1.279 458 F CB -1.250 37.605 39.000 -0.241 0.000 1.626 458 F HN 0.193 nan 8.300 nan 0.000 0.596 459 F N -0.242 119.740 119.950 0.053 0.000 2.415 459 F HA 0.932 5.458 4.527 -0.002 0.000 0.220 459 F C 1.350 177.172 175.800 0.037 0.000 0.876 459 F CA -0.639 57.371 58.000 0.017 0.000 1.067 459 F CB -0.597 38.432 39.000 0.049 0.000 2.152 459 F HN 0.262 nan 8.300 nan 0.000 0.651 460 G N -1.217 107.875 108.800 0.487 0.000 3.387 460 G HA2 0.436 4.395 3.960 -0.001 0.000 0.195 460 G HA3 0.436 4.395 3.960 -0.001 0.000 0.195 460 G C 0.627 175.717 174.900 0.318 0.000 1.853 460 G CA -0.127 45.138 45.100 0.275 0.000 0.879 460 G HN 0.968 nan 8.290 nan 0.000 0.651 461 G N -1.724 107.213 108.800 0.228 0.000 2.327 461 G HA2 0.212 4.171 3.960 -0.001 0.000 0.193 461 G HA3 0.212 4.171 3.960 -0.001 0.000 0.193 461 G C 1.219 176.208 174.900 0.148 0.000 1.535 461 G CA 1.527 46.747 45.100 0.200 0.000 0.598 461 G HN 0.815 nan 8.290 nan 0.000 1.134 462 S N 0.671 116.462 115.700 0.152 0.000 2.575 462 S HA 0.053 4.522 4.470 -0.001 0.000 0.230 462 S C 1.730 176.401 174.600 0.119 0.000 1.062 462 S CA 1.318 59.600 58.200 0.137 0.000 0.913 462 S CB -0.172 63.141 63.200 0.188 0.000 0.837 462 S HN 0.425 nan 8.310 nan 0.000 0.487 463 T N 0.758 115.391 114.554 0.132 0.000 3.802 463 T HA 0.391 4.740 4.350 -0.001 0.000 0.243 463 T C 1.623 176.281 174.700 -0.069 0.000 0.934 463 T CA 0.349 62.484 62.100 0.059 0.000 0.931 463 T CB -0.841 68.068 68.868 0.069 0.000 1.167 463 T HN 0.391 nan 8.240 nan 0.000 0.655 464 G N 2.351 111.095 108.800 -0.092 0.000 3.869 464 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.260 464 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.260 464 G C 0.892 175.406 174.900 -0.644 0.000 0.870 464 G CA 0.855 45.817 45.100 -0.230 0.000 0.731 464 G HN 1.415 nan 8.290 nan 0.000 1.403 465 A N -1.077 121.310 122.820 -0.722 0.000 2.956 465 A HA 0.605 4.924 4.320 -0.001 0.000 0.294 465 A C 1.472 178.738 177.584 -0.530 0.000 0.993 465 A CA -0.142 51.262 52.037 -1.054 0.000 1.032 465 A CB 0.264 18.653 19.000 -1.018 0.000 1.129 465 A HN 0.364 nan 8.150 nan 0.000 0.505 466 I N -1.074 119.244 120.570 -0.420 0.000 2.493 466 I HA -0.176 3.993 4.170 -0.001 0.000 0.254 466 I C 1.424 177.258 176.117 -0.471 0.000 1.160 466 I CA 1.633 62.674 61.300 -0.432 0.000 1.445 466 I CB -1.293 36.407 38.000 -0.499 0.000 1.086 466 I HN 0.617 nan 8.210 nan 0.000 0.433 467 Y N 0.239 120.445 120.300 -0.156 0.000 2.511 467 Y HA 0.141 4.690 4.550 -0.002 0.000 0.279 467 Y C 2.486 178.328 175.900 -0.096 0.000 1.157 467 Y CA 0.170 58.217 58.100 -0.088 0.000 1.300 467 Y CB -0.178 38.251 38.460 -0.051 0.000 1.052 467 Y HN 0.026 nan 8.280 nan 0.000 0.529 468 R N -0.057 120.391 120.500 -0.087 0.000 2.397 468 R HA 0.052 4.391 4.340 -0.001 0.000 0.241 468 R C 1.018 176.898 176.300 -0.700 0.000 0.914 468 R CA 0.121 56.101 56.100 -0.200 0.000 1.071 468 R CB 0.385 30.675 30.300 -0.017 0.000 1.116 468 R HN 0.140 nan 8.270 nan 0.000 0.524 469 Q N -0.134 119.325 119.800 -0.568 0.000 2.515 469 Q HA 0.034 4.373 4.340 -0.001 0.000 0.212 469 Q C -0.892 174.909 176.000 -0.331 0.000 0.970 469 Q CA 0.693 56.119 55.803 -0.628 0.000 0.941 469 Q CB 0.217 28.802 28.738 -0.255 0.000 0.998 469 Q HN 0.155 nan 8.270 nan 0.000 0.518 470 F N -2.060 117.872 119.950 -0.030 0.000 3.232 470 F HA -0.021 4.505 4.527 -0.001 0.000 0.277 470 F C 0.550 176.282 175.800 -0.114 0.000 0.849 470 F CA -0.526 57.434 58.000 -0.067 0.000 1.454 470 F CB -0.495 38.459 39.000 -0.076 0.000 1.597 470 F HN -0.330 nan 8.300 nan 0.000 0.859 471 S N 1.569 117.341 115.700 0.120 0.000 2.458 471 S HA 0.054 4.523 4.470 -0.001 0.000 0.223 471 S C 1.728 176.359 174.600 0.051 0.000 1.019 471 S CA 0.782 59.002 58.200 0.034 0.000 0.937 471 S CB 0.097 63.316 63.200 0.032 0.000 0.788 471 S HN 0.627 nan 8.310 nan 0.000 0.511 472 I N 0.338 121.028 120.570 0.200 0.000 3.398 472 I HA -0.097 4.072 4.170 -0.001 0.000 0.187 472 I C 1.988 178.008 176.117 -0.161 0.000 1.033 472 I CA 1.282 62.632 61.300 0.082 0.000 1.405 472 I CB -1.089 36.942 38.000 0.051 0.000 1.264 472 I HN 0.082 nan 8.210 nan 0.000 0.421 473 T N 1.309 115.415 114.554 -0.746 0.000 3.129 473 T HA -0.298 4.051 4.350 -0.001 0.000 0.235 473 T C 1.381 175.857 174.700 -0.373 0.000 1.049 473 T CA 2.800 64.388 62.100 -0.853 0.000 1.157 473 T CB -0.989 67.010 68.868 -1.448 0.000 0.788 473 T HN 0.507 nan 8.240 nan 0.000 0.519 474 I N 0.144 120.537 120.570 -0.296 0.000 3.456 474 I HA 0.006 4.175 4.170 -0.001 0.000 0.291 474 I C 1.691 177.716 176.117 -0.154 0.000 1.307 474 I CA 0.214 61.336 61.300 -0.296 0.000 1.333 474 I CB -0.052 37.605 38.000 -0.573 0.000 1.032 474 I HN 0.146 nan 8.210 nan 0.000 0.506 475 V N -1.109 118.746 119.914 -0.099 0.000 3.090 475 V HA -0.018 4.101 4.120 -0.001 0.000 0.237 475 V C 2.135 178.208 176.094 -0.036 0.000 1.209 475 V CA 0.820 63.142 62.300 0.036 0.000 1.209 475 V CB 0.630 32.498 31.823 0.075 0.000 0.971 475 V HN 0.247 nan 8.190 nan 0.000 0.477 476 S N 0.739 116.357 115.700 -0.136 0.000 2.469 476 S HA -0.087 4.382 4.470 -0.001 0.000 0.238 476 S C 1.910 176.437 174.600 -0.122 0.000 0.998 476 S CA 1.399 59.513 58.200 -0.142 0.000 0.957 476 S CB -0.127 62.923 63.200 -0.250 0.000 0.764 476 S HN 0.625 nan 8.310 nan 0.000 0.514 477 A N 1.903 124.653 122.820 -0.117 0.000 1.881 477 A HA 0.106 4.425 4.320 -0.001 0.000 0.210 477 A C 2.089 179.664 177.584 -0.015 0.000 1.239 477 A CA 1.183 53.175 52.037 -0.076 0.000 0.629 477 A CB -0.716 18.235 19.000 -0.082 0.000 0.906 477 A HN 0.527 nan 8.150 nan 0.000 0.460 478 M N 0.692 120.314 119.600 0.036 0.000 2.065 478 M HA 0.011 4.490 4.480 -0.001 0.000 0.259 478 M C 1.968 178.298 176.300 0.050 0.000 1.069 478 M CA 2.645 57.996 55.300 0.085 0.000 1.110 478 M CB -1.138 31.577 32.600 0.192 0.000 1.328 478 M HN 0.227 nan 8.290 nan 0.000 0.405 479 A N -0.184 122.661 122.820 0.042 0.000 1.930 479 A HA 0.046 4.365 4.320 -0.001 0.000 0.217 479 A C 2.210 179.804 177.584 0.017 0.000 1.175 479 A CA 1.543 53.599 52.037 0.031 0.000 0.627 479 A CB -0.946 18.075 19.000 0.034 0.000 0.815 479 A HN 0.553 nan 8.150 nan 0.000 0.443 480 L N -0.504 120.720 121.223 0.002 0.000 2.109 480 L HA -0.003 4.336 4.340 -0.001 0.000 0.207 480 L C 2.633 179.498 176.870 -0.008 0.000 1.086 480 L CA 2.161 56.995 54.840 -0.010 0.000 0.760 480 L CB -0.768 41.269 42.059 -0.037 0.000 0.910 480 L HN 0.373 nan 8.230 nan 0.000 0.437 481 S N -1.480 114.218 115.700 -0.004 0.000 2.368 481 S HA -0.137 4.332 4.470 -0.001 0.000 0.224 481 S C 2.059 176.666 174.600 0.011 0.000 1.029 481 S CA 1.415 59.617 58.200 0.003 0.000 0.988 481 S CB -0.255 62.953 63.200 0.013 0.000 0.838 481 S HN 0.245 nan 8.310 nan 0.000 0.462 482 V N 1.339 121.263 119.914 0.016 0.000 2.332 482 V HA -0.137 3.982 4.120 -0.001 0.000 0.248 482 V C 2.372 178.473 176.094 0.012 0.000 1.055 482 V CA 1.894 64.202 62.300 0.014 0.000 1.038 482 V CB -0.490 31.342 31.823 0.016 0.000 0.651 482 V HN 0.436 nan 8.190 nan 0.000 0.450 483 L N -1.173 120.058 121.223 0.014 0.000 2.168 483 L HA 0.071 4.410 4.340 -0.001 0.000 0.203 483 L C 2.220 179.102 176.870 0.020 0.000 1.078 483 L CA 1.381 56.232 54.840 0.017 0.000 0.780 483 L CB -0.137 41.934 42.059 0.021 0.000 0.939 483 L HN 0.078 nan 8.230 nan 0.000 0.451 484 V N -0.183 119.740 119.914 0.015 0.000 2.427 484 V HA -0.142 3.977 4.120 -0.001 0.000 0.248 484 V C 2.140 178.248 176.094 0.023 0.000 1.051 484 V CA 1.427 63.738 62.300 0.019 0.000 1.048 484 V CB -0.813 31.012 31.823 0.005 0.000 0.666 484 V HN 0.480 nan 8.190 nan 0.000 0.456 485 A N -1.619 121.211 122.820 0.016 0.000 2.359 485 A HA 0.327 4.646 4.320 -0.001 0.000 0.240 485 A C 1.637 179.228 177.584 0.012 0.000 1.306 485 A CA 0.427 52.474 52.037 0.015 0.000 0.898 485 A CB -0.070 18.938 19.000 0.013 0.000 0.956 485 A HN 0.505 nan 8.150 nan 0.000 0.497 486 L N -1.836 119.395 121.223 0.014 0.000 2.666 486 L HA 0.300 4.640 4.340 -0.001 0.000 0.184 486 L C 1.974 178.854 176.870 0.017 0.000 1.092 486 L CA 0.436 55.282 54.840 0.010 0.000 0.857 486 L CB 0.029 42.093 42.059 0.008 0.000 1.281 486 L HN 0.350 nan 8.230 nan 0.000 0.489 487 I N 0.358 120.945 120.570 0.029 0.000 2.202 487 I HA -0.183 3.987 4.170 -0.001 0.000 0.242 487 I C 0.777 176.923 176.117 0.048 0.000 1.091 487 I CA 0.865 62.193 61.300 0.045 0.000 1.368 487 I CB -0.004 38.036 38.000 0.067 0.000 1.058 487 I HN 0.139 nan 8.210 nan 0.000 0.410 488 L N -0.097 121.155 121.223 0.049 0.000 2.387 488 L HA 0.353 4.692 4.340 -0.001 0.000 0.266 488 L C 0.919 177.802 176.870 0.022 0.000 1.059 488 L CA 1.041 55.908 54.840 0.046 0.000 0.801 488 L CB 1.278 43.386 42.059 0.082 0.000 1.223 488 L HN 0.583 nan 8.230 nan 0.000 0.456 489 T N -2.301 112.256 114.554 0.005 0.000 13.113 489 T HA -0.147 4.202 4.350 -0.001 0.000 0.403 489 T C -1.369 173.320 174.700 -0.018 0.000 1.560 489 T CA 0.416 62.514 62.100 -0.004 0.000 2.554 489 T CB -2.891 65.982 68.868 0.008 0.000 2.615 489 T HN 0.470 nan 8.240 nan 0.000 0.438 490 P HA 0.111 nan 4.420 nan 0.000 0.216 490 P C 1.647 178.923 177.300 -0.040 0.000 1.150 490 P CA 2.365 65.453 63.100 -0.020 0.000 0.837 490 P CB -0.655 31.037 31.700 -0.013 0.000 0.786 491 A N -0.303 122.488 122.820 -0.049 0.000 2.014 491 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 491 A C 2.214 179.703 177.584 -0.158 0.000 1.163 491 A CA 0.943 52.927 52.037 -0.088 0.000 0.652 491 A CB -1.235 17.724 19.000 -0.069 0.000 0.808 491 A HN 0.100 nan 8.150 nan 0.000 0.449 492 L N -0.882 120.259 121.223 -0.137 0.000 2.375 492 L HA -0.018 4.321 4.340 -0.001 0.000 0.215 492 L C 2.207 179.013 176.870 -0.107 0.000 1.108 492 L CA 1.007 55.747 54.840 -0.166 0.000 0.830 492 L CB -1.052 40.947 42.059 -0.099 0.000 0.959 492 L HN 0.493 nan 8.230 nan 0.000 0.457 493 C N 0.270 119.529 119.300 -0.068 0.000 2.928 493 C HA -0.026 4.433 4.460 -0.001 0.000 0.291 493 C C 1.992 176.953 174.990 -0.048 0.000 1.260 493 C CA 0.595 59.589 59.018 -0.042 0.000 1.756 493 C CB -0.950 26.777 27.740 -0.022 0.000 2.125 493 C HN 0.535 nan 8.230 nan 0.000 0.467 494 A N 0.616 123.407 122.820 -0.049 0.000 3.063 494 A HA 0.406 4.726 4.320 -0.001 0.000 0.263 494 A C 0.982 178.527 177.584 -0.065 0.000 1.736 494 A CA 0.890 52.900 52.037 -0.045 0.000 1.408 494 A CB -0.642 18.338 19.000 -0.033 0.000 1.108 494 A HN 0.832 nan 8.150 nan 0.000 0.621 495 T N -2.355 112.153 114.554 -0.077 0.000 3.464 495 T HA 0.361 4.710 4.350 -0.001 0.000 0.222 495 T C 0.463 175.124 174.700 -0.064 0.000 0.982 495 T CA -0.136 61.907 62.100 -0.095 0.000 1.132 495 T CB 0.138 68.901 68.868 -0.176 0.000 1.226 495 T HN 0.245 nan 8.240 nan 0.000 0.346 496 M N 2.114 121.678 119.600 -0.060 0.000 2.027 496 M HA 0.725 5.205 4.480 -0.001 0.000 0.329 496 M C -1.816 174.480 176.300 -0.007 0.000 0.971 496 M CA -0.579 54.709 55.300 -0.021 0.000 0.933 496 M CB 1.528 34.126 32.600 -0.003 0.000 1.392 496 M HN 0.360 nan 8.290 nan 0.000 0.394 497 L N 3.598 124.820 121.223 -0.002 0.000 2.869 497 L HA 0.659 4.999 4.340 -0.001 0.000 0.265 497 L C -1.074 175.800 176.870 0.007 0.000 1.011 497 L CA -0.148 54.695 54.840 0.004 0.000 0.913 497 L CB 1.819 43.876 42.059 -0.004 0.000 1.490 497 L HN 0.662 nan 8.230 nan 0.000 0.410 514 G N 0.818 109.251 108.800 -0.612 0.000 2.602 514 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.291 514 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.291 514 G C -0.199 174.161 174.900 -0.900 0.000 0.988 514 G CA -0.153 44.577 45.100 -0.616 0.000 1.295 514 G HN 0.255 nan 8.290 nan 0.000 0.630 515 W N 0.103 121.148 121.300 -0.425 0.000 4.301 515 W HA 0.156 4.815 4.660 -0.001 0.000 0.191 515 W C 1.909 178.223 176.519 -0.342 0.000 1.108 515 W CA 0.215 57.284 57.345 -0.460 0.000 1.676 515 W CB -0.478 28.614 29.460 -0.613 0.000 0.650 515 W HN 0.433 nan 8.180 nan 0.000 0.943 516 F N 2.405 122.511 119.950 0.260 0.000 2.346 516 F HA -0.191 4.335 4.527 -0.001 0.000 0.301 516 F C 1.543 177.474 175.800 0.219 0.000 1.070 516 F CA 1.456 59.592 58.000 0.227 0.000 1.407 516 F CB -1.556 37.611 39.000 0.279 0.000 1.072 516 F HN -0.051 nan 8.300 nan 0.000 0.543 517 N N 0.533 119.388 118.700 0.259 0.000 2.149 517 N HA -0.162 4.577 4.740 -0.001 0.000 0.188 517 N C 1.681 177.279 175.510 0.148 0.000 1.019 517 N CA 0.903 54.056 53.050 0.173 0.000 0.857 517 N CB -0.263 38.262 38.487 0.063 0.000 0.997 517 N HN 0.260 nan 8.380 nan 0.000 0.426 518 R N 0.220 120.779 120.500 0.098 0.000 2.280 518 R HA 0.069 4.408 4.340 -0.001 0.000 0.207 518 R C 1.586 177.909 176.300 0.038 0.000 1.043 518 R CA 0.838 56.967 56.100 0.047 0.000 1.006 518 R CB 0.149 30.458 30.300 0.015 0.000 0.885 518 R HN 0.427 nan 8.270 nan 0.000 0.467 519 M N -3.665 115.984 119.600 0.083 0.000 2.329 519 M HA 0.175 4.654 4.480 -0.001 0.000 0.281 519 M C 1.080 177.424 176.300 0.073 0.000 1.088 519 M CA 0.792 56.112 55.300 0.035 0.000 1.108 519 M CB -0.351 32.220 32.600 -0.049 0.000 1.657 519 M HN -0.086 nan 8.290 nan 0.000 0.579 520 F N 2.592 122.590 119.950 0.079 0.000 2.325 520 F HA 0.021 4.547 4.527 -0.001 0.000 0.299 520 F C 2.580 178.445 175.800 0.109 0.000 1.090 520 F CA 1.549 59.605 58.000 0.094 0.000 1.392 520 F CB 0.237 39.298 39.000 0.102 0.000 1.053 520 F HN 0.315 nan 8.300 nan 0.000 0.521 521 E N -0.047 120.336 120.200 0.305 0.000 2.122 521 E HA -0.164 4.186 4.350 -0.001 0.000 0.190 521 E C 1.762 178.567 176.600 0.342 0.000 0.977 521 E CA 0.673 57.244 56.400 0.286 0.000 0.820 521 E CB 0.131 29.971 29.700 0.234 0.000 0.770 521 E HN 0.088 nan 8.360 nan 0.000 0.462 522 K N 0.296 120.809 120.400 0.188 0.000 2.439 522 K HA -0.032 4.287 4.320 -0.001 0.000 0.197 522 K C 1.912 178.625 176.600 0.188 0.000 1.041 522 K CA 0.973 57.341 56.287 0.135 0.000 0.970 522 K CB 0.126 32.594 32.500 -0.054 0.000 0.773 522 K HN 0.119 nan 8.250 nan 0.000 0.479 523 S N -1.890 113.901 115.700 0.151 0.000 2.439 523 S HA 0.001 4.470 4.470 -0.001 0.000 0.224 523 S C 1.723 176.470 174.600 0.245 0.000 1.029 523 S CA 0.843 59.119 58.200 0.127 0.000 0.946 523 S CB 0.006 63.182 63.200 -0.040 0.000 0.797 523 S HN 0.099 nan 8.310 nan 0.000 0.504 524 T N 1.137 115.827 114.554 0.227 0.000 3.207 524 T HA 0.118 4.467 4.350 -0.001 0.000 0.229 524 T C 1.686 176.485 174.700 0.165 0.000 0.999 524 T CA 1.111 63.325 62.100 0.191 0.000 1.386 524 T CB -0.843 68.134 68.868 0.183 0.000 1.130 524 T HN 0.554 nan 8.240 nan 0.000 0.435 525 H N 0.811 119.899 119.070 0.030 0.000 2.389 525 H HA -0.002 4.553 4.556 -0.001 0.000 0.299 525 H C 1.933 177.151 175.328 -0.184 0.000 1.081 525 H CA 1.676 57.650 56.048 -0.124 0.000 1.345 525 H CB -0.311 29.310 29.762 -0.235 0.000 1.393 525 H HN 0.509 nan 8.280 nan 0.000 0.520 526 H N -2.455 116.575 119.070 -0.066 0.000 2.535 526 H HA 0.070 4.625 4.556 -0.002 0.000 0.273 526 H C 0.916 176.210 175.328 -0.055 0.000 0.983 526 H CA 1.220 57.191 56.048 -0.128 0.000 1.238 526 H CB 0.294 30.044 29.762 -0.020 0.000 1.412 526 H HN 0.393 nan 8.280 nan 0.000 0.562 527 Y N -0.120 120.162 120.300 -0.029 0.000 3.154 527 Y HA 0.034 4.583 4.550 -0.002 0.000 0.179 527 Y C 2.305 178.172 175.900 -0.055 0.000 0.900 527 Y CA 0.684 58.752 58.100 -0.054 0.000 1.743 527 Y CB 0.009 38.492 38.460 0.038 0.000 1.362 527 Y HN -0.085 nan 8.280 nan 0.000 0.414 528 T N 1.196 115.702 114.554 -0.079 0.000 2.721 528 T HA -0.185 4.164 4.350 -0.001 0.000 0.268 528 T C 1.048 175.622 174.700 -0.211 0.000 1.038 528 T CA 2.041 64.011 62.100 -0.217 0.000 1.145 528 T CB -0.361 68.504 68.868 -0.005 0.000 0.858 528 T HN 0.394 nan 8.240 nan 0.000 0.459 529 D N 0.330 120.660 120.400 -0.115 0.000 2.213 529 D HA 0.043 4.682 4.640 -0.001 0.000 0.205 529 D C 2.190 178.402 176.300 -0.147 0.000 0.961 529 D CA 0.635 54.582 54.000 -0.089 0.000 0.853 529 D CB -0.416 40.407 40.800 0.038 0.000 0.967 529 D HN 0.312 nan 8.370 nan 0.000 0.496 530 S N -0.254 115.319 115.700 -0.211 0.000 2.561 530 S HA -0.007 4.463 4.470 -0.001 0.000 0.225 530 S C 1.747 176.224 174.600 -0.206 0.000 0.977 530 S CA 0.117 58.193 58.200 -0.207 0.000 0.926 530 S CB 0.100 63.158 63.200 -0.236 0.000 0.769 530 S HN -0.034 nan 8.310 nan 0.000 0.533 531 V N 0.810 120.547 119.914 -0.295 0.000 2.878 531 V HA 0.126 4.245 4.120 -0.001 0.000 0.250 531 V C 2.539 178.462 176.094 -0.284 0.000 1.075 531 V CA 1.362 63.455 62.300 -0.344 0.000 1.096 531 V CB -0.743 30.672 31.823 -0.681 0.000 0.724 531 V HN 0.574 nan 8.190 nan 0.000 0.467 532 G N 0.406 109.063 108.800 -0.239 0.000 2.402 532 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.216 532 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.216 532 G C 1.321 176.149 174.900 -0.121 0.000 1.162 532 G CA 0.742 45.738 45.100 -0.173 0.000 0.777 532 G HN 0.604 nan 8.290 nan 0.000 0.539 533 G N -0.239 108.502 108.800 -0.097 0.000 3.397 533 G HA2 0.366 4.325 3.960 -0.001 0.000 0.248 533 G HA3 0.366 4.325 3.960 -0.001 0.000 0.248 533 G C 0.600 175.492 174.900 -0.013 0.000 1.284 533 G CA -0.146 44.924 45.100 -0.050 0.000 1.570 533 G HN 0.423 nan 8.290 nan 0.000 0.587 534 I N -0.968 119.588 120.570 -0.024 0.000 4.922 534 I HA 0.146 4.315 4.170 -0.001 0.000 0.331 534 I C 1.444 177.531 176.117 -0.050 0.000 1.260 534 I CA 0.034 61.363 61.300 0.048 0.000 1.366 534 I CB 0.488 38.514 38.000 0.044 0.000 1.386 534 I HN 0.119 nan 8.210 nan 0.000 0.483 535 L N -0.998 120.108 121.223 -0.196 0.000 2.616 535 L HA 0.322 4.661 4.340 -0.001 0.000 0.229 535 L C 1.979 178.747 176.870 -0.170 0.000 1.110 535 L CA 0.659 55.300 54.840 -0.333 0.000 0.884 535 L CB -1.397 40.415 42.059 -0.412 0.000 1.115 535 L HN 0.178 nan 8.230 nan 0.000 0.481 536 R N 0.319 120.757 120.500 -0.103 0.000 2.285 536 R HA -0.054 4.285 4.340 -0.001 0.000 0.213 536 R C 2.110 178.390 176.300 -0.033 0.000 1.068 536 R CA 1.129 57.191 56.100 -0.063 0.000 1.004 536 R CB 0.335 30.606 30.300 -0.049 0.000 0.873 536 R HN 0.453 nan 8.270 nan 0.000 0.467 537 S N -1.974 113.721 115.700 -0.009 0.000 2.979 537 S HA 0.075 4.544 4.470 -0.001 0.000 0.243 537 S C 0.728 175.355 174.600 0.045 0.000 1.036 537 S CA 0.889 59.112 58.200 0.039 0.000 0.846 537 S CB 0.274 63.541 63.200 0.112 0.000 0.806 537 S HN 0.410 nan 8.310 nan 0.000 0.568 538 T N 0.938 115.536 114.554 0.074 0.000 13.499 538 T HA -0.330 4.019 4.350 -0.001 0.000 0.419 538 T C 1.717 176.563 174.700 0.242 0.000 1.441 538 T CA 2.547 64.701 62.100 0.089 0.000 2.353 538 T CB -2.285 66.516 68.868 -0.111 0.000 2.795 538 T HN 1.357 nan 8.240 nan 0.000 0.547 539 G N 2.190 111.048 108.800 0.097 0.000 3.159 539 G HA2 -0.529 3.430 3.960 -0.001 0.000 0.338 539 G HA3 -0.529 3.430 3.960 -0.001 0.000 0.338 539 G C 1.024 175.945 174.900 0.034 0.000 1.618 539 G CA 2.922 48.053 45.100 0.050 0.000 1.726 539 G HN 1.113 nan 8.290 nan 0.000 0.932 540 R N 0.118 120.562 120.500 -0.092 0.000 2.235 540 R HA 0.087 4.426 4.340 -0.001 0.000 0.213 540 R C 2.264 178.446 176.300 -0.198 0.000 1.059 540 R CA 1.444 57.426 56.100 -0.197 0.000 0.997 540 R CB -0.316 29.797 30.300 -0.312 0.000 0.884 540 R HN 0.625 nan 8.270 nan 0.000 0.462 541 Y N 0.335 120.708 120.300 0.121 0.000 2.578 541 Y HA -0.055 4.494 4.550 -0.001 0.000 0.297 541 Y C 2.033 178.028 175.900 0.157 0.000 1.176 541 Y CA -0.064 58.107 58.100 0.118 0.000 1.315 541 Y CB 0.134 38.666 38.460 0.119 0.000 1.031 541 Y HN 0.112 nan 8.280 nan 0.000 0.524 542 L N -0.596 120.774 121.223 0.246 0.000 2.109 542 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 542 L C 1.856 178.820 176.870 0.157 0.000 1.086 542 L CA 1.478 56.439 54.840 0.201 0.000 0.760 542 L CB -0.460 41.682 42.059 0.138 0.000 0.910 542 L HN 0.248 nan 8.230 nan 0.000 0.437 543 V N -0.721 119.255 119.914 0.103 0.000 3.307 543 V HA -0.069 4.050 4.120 -0.001 0.000 0.253 543 V C 2.238 178.376 176.094 0.074 0.000 1.149 543 V CA 0.440 62.780 62.300 0.065 0.000 1.112 543 V CB 0.728 32.567 31.823 0.027 0.000 0.777 543 V HN 0.373 nan 8.190 nan 0.000 0.464 544 L N -0.429 120.855 121.223 0.103 0.000 2.156 544 L HA -0.029 4.310 4.340 -0.001 0.000 0.208 544 L C 1.991 178.984 176.870 0.205 0.000 1.095 544 L CA 1.953 56.877 54.840 0.140 0.000 0.770 544 L CB -0.487 41.663 42.059 0.152 0.000 0.914 544 L HN 0.568 nan 8.230 nan 0.000 0.439 545 Y N -1.795 118.561 120.300 0.092 0.000 2.471 545 Y HA 0.135 4.684 4.550 -0.001 0.000 0.286 545 Y C 1.277 177.204 175.900 0.045 0.000 1.188 545 Y CA 0.422 58.560 58.100 0.064 0.000 1.286 545 Y CB 0.263 38.745 38.460 0.037 0.000 1.072 545 Y HN 0.133 nan 8.280 nan 0.000 0.517 546 L N -1.198 119.997 121.223 -0.046 0.000 2.717 546 L HA 0.181 4.520 4.340 -0.001 0.000 0.239 546 L C 1.543 178.373 176.870 -0.066 0.000 1.086 546 L CA 0.449 55.223 54.840 -0.110 0.000 0.897 546 L CB -0.041 41.997 42.059 -0.034 0.000 1.214 546 L HN 0.085 nan 8.230 nan 0.000 0.508 547 I N -0.717 119.844 120.570 -0.014 0.000 2.761 547 I HA -0.146 4.023 4.170 -0.001 0.000 0.261 547 I C 2.099 178.217 176.117 0.002 0.000 1.198 547 I CA 1.333 62.633 61.300 0.001 0.000 1.482 547 I CB -0.018 37.997 38.000 0.024 0.000 1.100 547 I HN 0.138 nan 8.210 nan 0.000 0.445 548 I N -1.467 119.098 120.570 -0.008 0.000 2.400 548 I HA -0.158 4.011 4.170 -0.001 0.000 0.248 548 I C 2.278 178.344 176.117 -0.085 0.000 1.109 548 I CA 0.594 61.890 61.300 -0.008 0.000 1.425 548 I CB 0.025 38.064 38.000 0.065 0.000 1.094 548 I HN -0.081 nan 8.210 nan 0.000 0.425 549 V N 0.305 120.086 119.914 -0.221 0.000 2.323 549 V HA -0.179 3.940 4.120 -0.001 0.000 0.244 549 V C 2.198 178.208 176.094 -0.141 0.000 1.041 549 V CA 1.439 63.583 62.300 -0.261 0.000 1.025 549 V CB 0.015 31.552 31.823 -0.476 0.000 0.656 549 V HN 0.205 nan 8.190 nan 0.000 0.451 550 V N 0.580 120.432 119.914 -0.105 0.000 2.951 550 V HA 0.029 4.148 4.120 -0.001 0.000 0.255 550 V C 2.503 178.607 176.094 0.017 0.000 1.088 550 V CA 1.497 63.771 62.300 -0.044 0.000 1.109 550 V CB -0.941 30.859 31.823 -0.039 0.000 0.724 550 V HN 0.577 nan 8.190 nan 0.000 0.471 551 G N -0.231 108.578 108.800 0.016 0.000 2.422 551 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.218 551 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.218 551 G C 1.593 176.566 174.900 0.123 0.000 1.140 551 G CA 0.955 46.098 45.100 0.072 0.000 0.775 551 G HN 0.449 nan 8.290 nan 0.000 0.545 552 M N 0.993 120.630 119.600 0.062 0.000 2.159 552 M HA 0.072 4.551 4.480 -0.001 0.000 0.263 552 M C 2.663 179.024 176.300 0.102 0.000 1.063 552 M CA 1.677 57.021 55.300 0.073 0.000 1.110 552 M CB -0.109 32.493 32.600 0.003 0.000 1.374 552 M HN 0.247 nan 8.290 nan 0.000 0.411 553 A N -0.592 122.261 122.820 0.055 0.000 2.019 553 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 553 A C 1.895 179.591 177.584 0.187 0.000 1.164 553 A CA 1.363 53.439 52.037 0.065 0.000 0.644 553 A CB -1.079 17.923 19.000 0.002 0.000 0.805 553 A HN 0.780 nan 8.150 nan 0.000 0.449 554 Y N 0.263 120.608 120.300 0.075 0.000 2.243 554 Y HA 0.038 4.587 4.550 -0.002 0.000 0.293 554 Y C 1.628 177.588 175.900 0.100 0.000 1.124 554 Y CA 1.374 59.520 58.100 0.077 0.000 1.159 554 Y CB -0.253 38.237 38.460 0.049 0.000 1.008 554 Y HN 0.168 nan 8.280 nan 0.000 0.527 555 L N -0.447 120.822 121.223 0.078 0.000 2.642 555 L HA -0.142 4.198 4.340 -0.001 0.000 0.236 555 L C 1.561 178.451 176.870 0.035 0.000 1.169 555 L CA 0.770 55.617 54.840 0.012 0.000 0.851 555 L CB -0.529 41.612 42.059 0.136 0.000 0.968 555 L HN 0.287 nan 8.230 nan 0.000 0.453 556 F N -1.228 118.661 119.950 -0.101 0.000 2.399 556 F HA 0.033 4.559 4.527 -0.001 0.000 0.282 556 F C 2.031 177.769 175.800 -0.104 0.000 1.027 556 F CA 0.643 58.600 58.000 -0.071 0.000 1.333 556 F CB 0.136 39.118 39.000 -0.031 0.000 1.132 556 F HN -0.281 nan 8.300 nan 0.000 0.590 557 V N 0.540 120.469 119.914 0.026 0.000 2.548 557 V HA -0.149 3.970 4.120 -0.001 0.000 0.249 557 V C 2.293 178.285 176.094 -0.171 0.000 1.055 557 V CA 1.676 63.940 62.300 -0.060 0.000 1.065 557 V CB -0.654 31.183 31.823 0.025 0.000 0.681 557 V HN 0.157 nan 8.190 nan 0.000 0.462 558 R N 0.360 120.700 120.500 -0.266 0.000 2.090 558 R HA 0.014 4.353 4.340 -0.001 0.000 0.228 558 R C 0.894 177.053 176.300 -0.235 0.000 1.110 558 R CA 0.676 56.600 56.100 -0.293 0.000 0.973 558 R CB -0.566 29.435 30.300 -0.499 0.000 0.869 558 R HN 0.445 nan 8.270 nan 0.000 0.440 559 L N 2.734 123.804 121.223 -0.255 0.000 2.385 559 L HA 0.354 4.693 4.340 -0.001 0.000 0.281 559 L C -2.342 174.353 176.870 -0.291 0.000 1.106 559 L CA -1.954 52.731 54.840 -0.259 0.000 0.856 559 L CB 0.687 42.580 42.059 -0.277 0.000 1.186 559 L HN 0.047 nan 8.230 nan 0.000 0.453 560 P HA 0.274 nan 4.420 nan 0.000 0.274 560 P C -0.626 176.544 177.300 -0.218 0.000 1.246 560 P CA -0.419 62.566 63.100 -0.193 0.000 0.795 560 P CB 0.763 32.387 31.700 -0.127 0.000 1.006 561 S N -0.303 115.290 115.700 -0.178 0.000 2.661 561 S HA 0.483 4.952 4.470 -0.001 0.000 0.265 561 S C 0.093 174.635 174.600 -0.098 0.000 1.225 561 S CA -0.231 57.874 58.200 -0.158 0.000 0.986 561 S CB 0.359 63.483 63.200 -0.127 0.000 1.008 561 S HN 0.532 nan 8.310 nan 0.000 0.565 562 S N -0.748 114.906 115.700 -0.078 0.000 2.546 562 S HA 0.578 5.047 4.470 -0.001 0.000 0.272 562 S C -0.422 174.171 174.600 -0.011 0.000 1.140 562 S CA -0.696 57.492 58.200 -0.019 0.000 0.920 562 S CB 0.525 63.703 63.200 -0.037 0.000 1.083 562 S HN 0.512 nan 8.310 nan 0.000 0.476 563 F N 2.870 122.784 119.950 -0.059 0.000 2.153 563 F HA 0.490 5.017 4.527 -0.002 0.000 0.276 563 F C 0.386 176.110 175.800 -0.126 0.000 1.340 563 F CA 0.313 58.273 58.000 -0.067 0.000 1.094 563 F CB 0.161 39.132 39.000 -0.048 0.000 0.964 563 F HN 0.468 nan 8.300 nan 0.000 0.522 564 L N 2.060 123.438 121.223 0.258 0.000 2.305 564 L HA 0.433 4.772 4.340 -0.001 0.000 0.284 564 L C -2.368 174.527 176.870 0.042 0.000 1.013 564 L CA -1.900 52.964 54.840 0.040 0.000 0.819 564 L CB 0.895 42.962 42.059 0.014 0.000 1.227 564 L HN 0.078 nan 8.230 nan 0.000 0.417 565 P HA 0.167 nan 4.420 nan 0.000 0.275 565 P C -1.257 176.058 177.300 0.025 0.000 1.227 565 P CA -0.433 62.687 63.100 0.033 0.000 0.781 565 P CB 0.441 32.168 31.700 0.045 0.000 0.906 566 D N 0.722 121.133 120.400 0.019 0.000 2.376 566 D HA 0.091 4.730 4.640 -0.001 0.000 0.278 566 D C 0.178 176.495 176.300 0.028 0.000 1.384 566 D CA 0.204 54.216 54.000 0.021 0.000 1.033 566 D CB -0.222 40.588 40.800 0.016 0.000 1.102 566 D HN 0.332 nan 8.370 nan 0.000 0.530 567 E N 2.290 122.510 120.200 0.033 0.000 2.204 567 E HA 0.155 4.504 4.350 -0.001 0.000 0.276 567 E C -0.476 176.158 176.600 0.058 0.000 0.974 567 E CA -1.048 55.370 56.400 0.029 0.000 0.815 567 E CB 0.888 30.579 29.700 -0.015 0.000 1.119 567 E HN 0.392 nan 8.360 nan 0.000 0.393 568 D N 3.488 123.935 120.400 0.079 0.000 2.399 568 D HA -0.066 4.573 4.640 -0.001 0.000 0.241 568 D C -0.044 176.382 176.300 0.209 0.000 1.133 568 D CA 0.071 54.140 54.000 0.114 0.000 0.890 568 D CB 1.149 42.010 40.800 0.102 0.000 1.201 568 D HN 0.556 nan 8.370 nan 0.000 0.432 569 Q N 1.456 121.382 119.800 0.211 0.000 2.280 569 Q HA 0.178 4.518 4.340 -0.001 0.000 0.228 569 Q C 1.367 177.565 176.000 0.331 0.000 0.857 569 Q CA 0.537 56.542 55.803 0.337 0.000 0.939 569 Q CB 1.158 30.079 28.738 0.306 0.000 1.114 569 Q HN 0.907 nan 8.270 nan 0.000 0.514 570 G N 0.994 109.732 108.800 -0.103 0.000 2.184 570 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.264 570 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.264 570 G C 0.052 174.875 174.900 -0.128 0.000 0.975 570 G CA 0.446 45.242 45.100 -0.508 0.000 0.642 570 G HN 0.217 nan 8.290 nan 0.000 0.536 571 V N 0.296 120.233 119.914 0.037 0.000 2.852 571 V HA 0.711 4.830 4.120 -0.001 0.000 0.300 571 V C -0.386 175.757 176.094 0.081 0.000 1.205 571 V CA -0.345 61.957 62.300 0.003 0.000 0.940 571 V CB 1.866 33.649 31.823 -0.066 0.000 1.047 571 V HN 1.072 nan 8.190 nan 0.000 0.429 572 F N 3.484 123.343 119.950 -0.151 0.000 2.824 572 F HA 0.968 5.494 4.527 -0.002 0.000 0.330 572 F C -0.732 174.968 175.800 -0.167 0.000 1.175 572 F CA -1.278 56.640 58.000 -0.137 0.000 0.974 572 F CB 2.111 41.077 39.000 -0.058 0.000 1.430 572 F HN 0.534 nan 8.300 nan 0.000 0.507 573 M N 0.410 119.902 119.600 -0.180 0.000 2.569 573 M HA 0.648 5.128 4.480 -0.001 0.000 0.279 573 M C -1.233 174.848 176.300 -0.366 0.000 1.253 573 M CA -0.570 54.547 55.300 -0.304 0.000 0.867 573 M CB 2.084 34.681 32.600 -0.005 0.000 1.727 573 M HN 0.796 nan 8.290 nan 0.000 0.467 574 T N 0.599 115.001 114.554 -0.253 0.000 2.893 574 T HA 0.815 5.164 4.350 -0.001 0.000 0.279 574 T C -1.265 173.440 174.700 0.009 0.000 0.991 574 T CA -0.589 61.462 62.100 -0.082 0.000 0.950 574 T CB 1.365 70.258 68.868 0.042 0.000 1.223 574 T HN 0.769 nan 8.240 nan 0.000 0.585 575 M N 2.616 122.345 119.600 0.215 0.000 2.149 575 M HA 0.548 5.027 4.480 -0.001 0.000 0.273 575 M C -2.041 174.446 176.300 0.312 0.000 0.972 575 M CA -0.428 55.098 55.300 0.377 0.000 0.984 575 M CB 1.198 34.155 32.600 0.595 0.000 1.699 575 M HN 0.287 nan 8.290 nan 0.000 0.462 576 V N 4.315 124.341 119.914 0.187 0.000 2.459 576 V HA 0.719 4.839 4.120 -0.001 0.000 0.295 576 V C -0.629 175.553 176.094 0.148 0.000 1.029 576 V CA -0.521 61.846 62.300 0.112 0.000 0.874 576 V CB 1.675 33.501 31.823 0.004 0.000 0.985 576 V HN 0.843 nan 8.190 nan 0.000 0.438 577 Q N 3.320 123.206 119.800 0.143 0.000 2.309 577 Q HA 0.608 4.947 4.340 -0.001 0.000 0.273 577 Q C -2.000 174.055 176.000 0.091 0.000 1.040 577 Q CA -0.567 55.317 55.803 0.135 0.000 0.834 577 Q CB 2.250 31.101 28.738 0.189 0.000 1.345 577 Q HN 0.582 nan 8.270 nan 0.000 0.414 578 L N 3.457 124.724 121.223 0.074 0.000 2.304 578 L HA 0.662 5.001 4.340 -0.001 0.000 0.268 578 L C -2.007 174.897 176.870 0.058 0.000 1.010 578 L CA -1.975 52.896 54.840 0.053 0.000 0.813 578 L CB 1.130 43.213 42.059 0.040 0.000 1.315 578 L HN 0.655 nan 8.230 nan 0.000 0.445 579 P HA 0.111 nan 4.420 nan 0.000 0.342 579 P C -0.787 176.548 177.300 0.058 0.000 1.369 579 P CA -0.387 62.743 63.100 0.050 0.000 0.800 579 P CB 0.199 31.920 31.700 0.036 0.000 1.884 580 A N -0.145 122.710 122.820 0.058 0.000 2.639 580 A HA 0.426 4.745 4.320 -0.001 0.000 0.295 580 A C 1.071 178.700 177.584 0.074 0.000 1.443 580 A CA 0.404 52.486 52.037 0.075 0.000 1.117 580 A CB -2.070 16.978 19.000 0.080 0.000 1.098 580 A HN 0.766 nan 8.150 nan 0.000 0.552 581 G N 1.522 110.372 108.800 0.084 0.000 2.350 581 G HA2 0.148 4.107 3.960 -0.001 0.000 0.298 581 G HA3 0.148 4.107 3.960 -0.001 0.000 0.298 581 G C 0.488 175.429 174.900 0.069 0.000 1.037 581 G CA 0.445 45.597 45.100 0.088 0.000 1.074 581 G HN 1.995 nan 8.290 nan 0.000 0.511 582 A N 0.062 122.916 122.820 0.056 0.000 2.386 582 A HA 0.819 5.138 4.320 -0.001 0.000 0.246 582 A C 1.202 178.810 177.584 0.041 0.000 1.089 582 A CA 0.884 52.946 52.037 0.041 0.000 0.790 582 A CB 0.289 19.309 19.000 0.034 0.000 1.042 582 A HN 1.884 nan 8.150 nan 0.000 0.497 583 T N -1.408 113.163 114.554 0.029 0.000 2.881 583 T HA 0.298 4.647 4.350 -0.001 0.000 0.278 583 T C 0.883 175.595 174.700 0.019 0.000 0.982 583 T CA 0.056 62.170 62.100 0.024 0.000 0.989 583 T CB 1.019 69.894 68.868 0.012 0.000 1.058 583 T HN 0.670 nan 8.240 nan 0.000 0.529 584 Q N -0.423 119.387 119.800 0.017 0.000 2.291 584 Q HA -0.150 4.189 4.340 -0.001 0.000 0.205 584 Q C 1.982 177.982 176.000 -0.000 0.000 0.970 584 Q CA 1.445 57.257 55.803 0.014 0.000 0.876 584 Q CB -0.066 28.683 28.738 0.019 0.000 0.935 584 Q HN 0.861 nan 8.270 nan 0.000 0.455 585 E N 0.205 120.400 120.200 -0.007 0.000 2.072 585 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 585 E C 1.829 178.420 176.600 -0.015 0.000 0.985 585 E CA 1.141 57.532 56.400 -0.016 0.000 0.801 585 E CB 0.171 29.858 29.700 -0.021 0.000 0.750 585 E HN 0.228 nan 8.360 nan 0.000 0.452 586 R N -0.692 119.803 120.500 -0.008 0.000 2.119 586 R HA -0.040 4.299 4.340 -0.001 0.000 0.222 586 R C 2.449 178.742 176.300 -0.011 0.000 1.088 586 R CA 1.529 57.624 56.100 -0.009 0.000 0.984 586 R CB -0.541 29.758 30.300 -0.002 0.000 0.884 586 R HN 0.222 nan 8.270 nan 0.000 0.447 587 T N 0.325 114.876 114.554 -0.005 0.000 2.904 587 T HA -0.091 4.258 4.350 -0.001 0.000 0.267 587 T C 1.875 176.561 174.700 -0.023 0.000 1.059 587 T CA 0.897 62.992 62.100 -0.008 0.000 1.137 587 T CB 0.110 68.983 68.868 0.008 0.000 0.879 587 T HN 0.070 nan 8.240 nan 0.000 0.467 588 Q N 0.669 120.455 119.800 -0.024 0.000 2.170 588 Q HA -0.066 4.274 4.340 -0.001 0.000 0.203 588 Q C 2.348 178.325 176.000 -0.039 0.000 0.976 588 Q CA 0.995 56.777 55.803 -0.034 0.000 0.858 588 Q CB -0.261 28.459 28.738 -0.030 0.000 0.907 588 Q HN 0.479 nan 8.270 nan 0.000 0.433 589 K N 0.620 120.999 120.400 -0.034 0.000 2.097 589 K HA -0.101 4.218 4.320 -0.001 0.000 0.206 589 K C 1.831 178.404 176.600 -0.044 0.000 1.049 589 K CA 1.026 57.291 56.287 -0.037 0.000 0.933 589 K CB 0.110 32.591 32.500 -0.032 0.000 0.717 589 K HN 0.079 nan 8.250 nan 0.000 0.442 590 V N 1.101 120.985 119.914 -0.049 0.000 2.446 590 V HA -0.178 3.941 4.120 -0.001 0.000 0.244 590 V C 2.404 178.440 176.094 -0.095 0.000 1.039 590 V CA 0.874 63.133 62.300 -0.069 0.000 1.045 590 V CB -0.355 31.429 31.823 -0.066 0.000 0.681 590 V HN 0.108 nan 8.190 nan 0.000 0.459 591 L N 0.724 121.896 121.223 -0.085 0.000 2.083 591 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 591 L C 2.330 179.158 176.870 -0.070 0.000 1.083 591 L CA 1.650 56.429 54.840 -0.101 0.000 0.752 591 L CB -0.832 41.167 42.059 -0.100 0.000 0.899 591 L HN 0.325 nan 8.230 nan 0.000 0.433 592 N N -0.581 118.092 118.700 -0.044 0.000 2.244 592 N HA -0.201 4.538 4.740 -0.001 0.000 0.183 592 N C 1.771 177.304 175.510 0.038 0.000 1.016 592 N CA 0.942 53.989 53.050 -0.006 0.000 0.866 592 N CB -0.025 38.453 38.487 -0.016 0.000 0.980 592 N HN 0.449 nan 8.380 nan 0.000 0.430 593 E N 0.107 120.307 120.200 0.001 0.000 2.347 593 E HA -0.029 4.320 4.350 -0.001 0.000 0.196 593 E C 1.490 178.158 176.600 0.114 0.000 1.008 593 E CA 0.239 56.657 56.400 0.031 0.000 0.852 593 E CB 0.382 30.072 29.700 -0.017 0.000 0.783 593 E HN 0.046 nan 8.360 nan 0.000 0.505 594 V N -0.323 119.602 119.914 0.019 0.000 2.436 594 V HA -0.137 3.982 4.120 -0.001 0.000 0.240 594 V C 2.090 178.379 176.094 0.325 0.000 1.040 594 V CA 1.742 64.055 62.300 0.022 0.000 1.052 594 V CB -0.224 31.409 31.823 -0.317 0.000 0.707 594 V HN 0.268 nan 8.190 nan 0.000 0.469 595 T N -0.933 113.713 114.554 0.153 0.000 2.897 595 T HA -0.264 4.085 4.350 -0.001 0.000 0.271 595 T C 1.755 176.578 174.700 0.205 0.000 1.084 595 T CA 2.068 64.244 62.100 0.127 0.000 1.123 595 T CB -0.347 68.517 68.868 -0.007 0.000 0.865 595 T HN 0.594 nan 8.240 nan 0.000 0.496 596 H N -0.281 118.879 119.070 0.151 0.000 2.326 596 H HA -0.038 4.518 4.556 -0.001 0.000 0.301 596 H C 2.010 177.443 175.328 0.176 0.000 1.081 596 H CA 1.533 57.658 56.048 0.128 0.000 1.334 596 H CB -0.368 29.459 29.762 0.107 0.000 1.385 596 H HN 0.410 nan 8.280 nan 0.000 0.504 597 Y N -0.097 120.359 120.300 0.259 0.000 2.128 597 Y HA -0.348 4.202 4.550 -0.001 0.000 0.284 597 Y C 1.667 177.550 175.900 -0.028 0.000 1.154 597 Y CA 1.993 60.158 58.100 0.108 0.000 1.149 597 Y CB -0.604 37.949 38.460 0.154 0.000 0.976 597 Y HN 0.290 nan 8.280 nan 0.000 0.505 598 Y N -0.686 119.700 120.300 0.142 0.000 2.373 598 Y HA -0.130 4.420 4.550 -0.001 0.000 0.293 598 Y C 2.116 177.949 175.900 -0.112 0.000 1.129 598 Y CA 1.251 59.356 58.100 0.009 0.000 1.226 598 Y CB -0.255 38.250 38.460 0.075 0.000 1.000 598 Y HN 0.136 nan 8.280 nan 0.000 0.549 599 L N -1.669 119.562 121.223 0.014 0.000 2.416 599 L HA -0.018 4.322 4.340 -0.001 0.000 0.216 599 L C 1.765 178.527 176.870 -0.180 0.000 1.098 599 L CA 0.745 55.528 54.840 -0.094 0.000 0.840 599 L CB -0.127 41.864 42.059 -0.113 0.000 0.981 599 L HN 0.156 nan 8.230 nan 0.000 0.462 600 T N -0.708 113.695 114.554 -0.253 0.000 3.031 600 T HA -0.011 4.338 4.350 -0.001 0.000 0.236 600 T C 1.371 175.935 174.700 -0.227 0.000 1.005 600 T CA 0.388 62.327 62.100 -0.268 0.000 1.230 600 T CB 0.086 68.742 68.868 -0.354 0.000 0.913 600 T HN 0.137 nan 8.240 nan 0.000 0.419 601 K N 1.776 121.988 120.400 -0.314 0.000 2.493 601 K HA 0.295 4.614 4.320 -0.001 0.000 0.207 601 K C 0.010 176.372 176.600 -0.396 0.000 1.033 601 K CA 0.176 56.264 56.287 -0.331 0.000 1.161 601 K CB 0.511 32.813 32.500 -0.330 0.000 0.873 601 K HN 0.361 nan 8.250 nan 0.000 0.491 602 E N 1.215 121.217 120.200 -0.330 0.000 4.176 602 E HA 0.153 4.502 4.350 -0.001 0.000 0.222 602 E C -0.107 176.422 176.600 -0.118 0.000 1.142 602 E CA -0.008 56.252 56.400 -0.233 0.000 1.400 602 E CB 0.516 30.040 29.700 -0.294 0.000 1.206 602 E HN 0.105 nan 8.360 nan 0.000 0.413 603 K N -0.268 120.068 120.400 -0.107 0.000 2.155 603 K HA -0.076 4.243 4.320 -0.001 0.000 0.203 603 K C 1.376 177.949 176.600 -0.045 0.000 1.052 603 K CA 1.549 57.794 56.287 -0.071 0.000 0.948 603 K CB -0.028 32.428 32.500 -0.073 0.000 0.728 603 K HN 0.268 nan 8.250 nan 0.000 0.448 604 N N -0.402 118.270 118.700 -0.046 0.000 2.398 604 N HA -0.035 4.704 4.740 -0.001 0.000 0.188 604 N C 0.640 176.139 175.510 -0.019 0.000 1.122 604 N CA 0.624 53.657 53.050 -0.029 0.000 0.866 604 N CB 0.224 38.694 38.487 -0.029 0.000 0.970 604 N HN 0.195 nan 8.380 nan 0.000 0.462 605 N N -0.940 117.751 118.700 -0.014 0.000 2.474 605 N HA 0.135 4.874 4.740 -0.001 0.000 0.224 605 N C -0.981 174.546 175.510 0.028 0.000 1.092 605 N CA -0.184 52.869 53.050 0.005 0.000 0.844 605 N CB 1.013 39.509 38.487 0.016 0.000 1.381 605 N HN -0.092 nan 8.380 nan 0.000 0.458 606 V N 1.975 121.916 119.914 0.045 0.000 2.406 606 V HA 0.127 4.246 4.120 -0.001 0.000 0.272 606 V C 0.998 177.097 176.094 0.008 0.000 1.043 606 V CA 0.099 62.438 62.300 0.064 0.000 0.915 606 V CB 1.396 33.309 31.823 0.149 0.000 0.988 606 V HN 0.199 nan 8.190 nan 0.000 0.466 607 E N 3.684 123.881 120.200 -0.004 0.000 2.042 607 E HA 0.048 4.397 4.350 -0.001 0.000 0.189 607 E C 0.459 177.039 176.600 -0.034 0.000 0.974 607 E CA 0.836 57.234 56.400 -0.004 0.000 0.806 607 E CB 0.402 30.115 29.700 0.022 0.000 0.769 607 E HN 0.698 nan 8.360 nan 0.000 0.451 608 S N -0.908 114.761 115.700 -0.052 0.000 2.541 608 S HA 0.547 5.016 4.470 -0.001 0.000 0.271 608 S C -1.553 172.948 174.600 -0.166 0.000 1.133 608 S CA -0.873 57.244 58.200 -0.138 0.000 0.876 608 S CB 2.259 65.486 63.200 0.045 0.000 1.105 608 S HN 0.021 nan 8.310 nan 0.000 0.470 609 V N 2.742 122.497 119.914 -0.266 0.000 2.378 609 V HA 0.471 4.590 4.120 -0.001 0.000 0.288 609 V C -1.169 174.852 176.094 -0.123 0.000 1.016 609 V CA -0.476 61.679 62.300 -0.241 0.000 0.840 609 V CB 0.897 32.557 31.823 -0.272 0.000 0.994 609 V HN 0.870 nan 8.190 nan 0.000 0.431 610 F N 4.841 124.691 119.950 -0.167 0.000 2.344 610 F HA 0.698 5.224 4.527 -0.001 0.000 0.344 610 F C 0.816 176.419 175.800 -0.328 0.000 1.140 610 F CA -0.705 57.232 58.000 -0.105 0.000 1.256 610 F CB 0.297 39.343 39.000 0.077 0.000 1.573 610 F HN 0.575 nan 8.300 nan 0.000 0.547 611 A N 3.859 126.405 122.820 -0.458 0.000 2.404 611 A HA 0.563 4.882 4.320 -0.001 0.000 0.273 611 A C -0.738 176.526 177.584 -0.533 0.000 1.144 611 A CA -0.290 51.477 52.037 -0.449 0.000 0.806 611 A CB 0.118 18.938 19.000 -0.300 0.000 1.080 611 A HN 0.383 nan 8.150 nan 0.000 0.509 612 V N 4.927 124.555 119.914 -0.477 0.000 2.378 612 V HA 0.263 4.382 4.120 -0.001 0.000 0.288 612 V C 0.066 176.097 176.094 -0.105 0.000 1.016 612 V CA -0.971 61.148 62.300 -0.302 0.000 0.840 612 V CB 1.356 33.021 31.823 -0.264 0.000 0.994 612 V HN 0.934 nan 8.190 nan 0.000 0.431 613 N N 3.214 121.887 118.700 -0.044 0.000 2.438 613 N HA 0.447 5.186 4.740 -0.001 0.000 0.282 613 N C 0.974 176.530 175.510 0.076 0.000 1.037 613 N CA 1.056 54.110 53.050 0.007 0.000 0.942 613 N CB 1.836 40.313 38.487 -0.017 0.000 1.136 613 N HN 1.018 nan 8.380 nan 0.000 0.481 614 G N 2.992 111.846 108.800 0.089 0.000 2.195 614 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.224 614 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.224 614 G C 0.354 175.315 174.900 0.102 0.000 0.990 614 G CA 0.136 45.288 45.100 0.087 0.000 0.639 614 G HN 0.551 nan 8.290 nan 0.000 0.514 615 F N 1.404 121.365 119.950 0.017 0.000 2.100 615 F HA 0.453 4.979 4.527 -0.002 0.000 0.280 615 F C 1.819 177.617 175.800 -0.003 0.000 1.276 615 F CA 2.588 60.595 58.000 0.012 0.000 1.109 615 F CB -0.388 38.633 39.000 0.035 0.000 0.982 615 F HN 1.296 nan 8.300 nan 0.000 0.506 616 G N 0.312 109.373 108.800 0.436 0.000 2.778 616 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.686 616 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.686 616 G C -0.886 174.146 174.900 0.220 0.000 1.309 616 G CA -0.560 44.717 45.100 0.296 0.000 0.904 616 G HN 0.369 nan 8.290 nan 0.000 0.593 617 F N 1.401 121.551 119.950 0.334 0.000 2.380 617 F HA 0.500 5.026 4.527 -0.002 0.000 0.325 617 F C 1.503 177.379 175.800 0.126 0.000 1.136 617 F CA 1.373 59.526 58.000 0.255 0.000 1.171 617 F CB 1.575 40.724 39.000 0.248 0.000 1.230 617 F HN 1.977 nan 8.300 nan 0.000 0.554 618 A N 1.065 124.083 122.820 0.330 0.000 3.201 618 A HA 0.238 4.557 4.320 -0.001 0.000 0.260 618 A C 0.517 178.157 177.584 0.094 0.000 1.222 618 A CA 0.723 52.860 52.037 0.167 0.000 1.124 618 A CB -2.095 16.974 19.000 0.116 0.000 1.155 618 A HN 2.281 nan 8.150 nan 0.000 0.924 619 G N -2.053 106.783 108.800 0.059 0.000 2.402 619 G HA2 0.531 4.491 3.960 -0.001 0.000 0.666 619 G HA3 0.531 4.491 3.960 -0.001 0.000 0.666 619 G C -0.632 174.234 174.900 -0.056 0.000 1.402 619 G CA 0.282 45.375 45.100 -0.013 0.000 0.920 619 G HN 1.916 nan 8.290 nan 0.000 0.651 620 R N 0.194 120.622 120.500 -0.119 0.000 2.528 620 R HA 0.880 5.219 4.340 -0.001 0.000 0.271 620 R C 0.609 176.884 176.300 -0.041 0.000 1.056 620 R CA -0.080 55.942 56.100 -0.131 0.000 1.117 620 R CB 1.614 31.784 30.300 -0.216 0.000 1.085 620 R HN 2.151 nan 8.270 nan 0.000 0.530 621 G N -0.179 108.614 108.800 -0.012 0.000 2.328 621 G HA2 0.016 3.975 3.960 -0.001 0.000 0.295 621 G HA3 0.016 3.975 3.960 -0.001 0.000 0.295 621 G C -1.343 173.579 174.900 0.037 0.000 1.413 621 G CA -0.894 44.218 45.100 0.020 0.000 0.817 621 G HN 0.563 nan 8.290 nan 0.000 0.546 622 Q N -0.280 119.547 119.800 0.046 0.000 2.294 622 Q HA 0.212 4.551 4.340 -0.001 0.000 0.256 622 Q C 0.580 176.610 176.000 0.051 0.000 0.907 622 Q CA 0.126 55.959 55.803 0.049 0.000 0.954 622 Q CB -0.200 28.569 28.738 0.053 0.000 1.102 622 Q HN 0.412 nan 8.270 nan 0.000 0.429 623 N N -1.609 117.123 118.700 0.054 0.000 1.952 623 N HA -0.002 4.738 4.740 -0.001 0.000 0.228 623 N C -0.026 175.525 175.510 0.069 0.000 1.398 623 N CA 0.737 53.823 53.050 0.059 0.000 0.817 623 N CB 0.852 39.378 38.487 0.065 0.000 1.101 623 N HN 0.322 nan 8.380 nan 0.000 0.498 624 T N -2.767 111.831 114.554 0.073 0.000 2.292 624 T HA 0.752 5.102 4.350 -0.001 0.000 0.205 624 T C 0.529 175.283 174.700 0.090 0.000 0.863 624 T CA -0.066 62.092 62.100 0.097 0.000 1.243 624 T CB 0.435 69.369 68.868 0.111 0.000 3.036 624 T HN 0.282 nan 8.240 nan 0.000 0.446 625 G N 0.717 109.588 108.800 0.118 0.000 2.906 625 G HA2 0.309 4.269 3.960 -0.001 0.000 0.686 625 G HA3 0.309 4.269 3.960 -0.001 0.000 0.686 625 G C -0.887 174.050 174.900 0.061 0.000 1.170 625 G CA -0.549 44.603 45.100 0.086 0.000 0.775 625 G HN 1.486 nan 8.290 nan 0.000 0.630 626 I N -1.001 119.555 120.570 -0.024 0.000 2.894 626 I HA 0.952 5.121 4.170 -0.001 0.000 0.302 626 I C 0.028 175.896 176.117 -0.415 0.000 1.188 626 I CA -1.380 59.846 61.300 -0.124 0.000 1.014 626 I CB 2.316 40.329 38.000 0.022 0.000 1.242 626 I HN 1.604 nan 8.210 nan 0.000 0.430 627 A N 3.551 126.117 122.820 -0.423 0.000 2.343 627 A HA 0.831 5.151 4.320 -0.001 0.000 0.316 627 A C -1.249 176.034 177.584 -0.502 0.000 1.104 627 A CA -0.367 51.350 52.037 -0.534 0.000 0.768 627 A CB 0.685 19.450 19.000 -0.392 0.000 1.213 627 A HN 0.509 nan 8.150 nan 0.000 0.456 628 F N 1.350 121.192 119.950 -0.180 0.000 2.384 628 F HA 0.543 5.069 4.527 -0.001 0.000 0.338 628 F C 0.307 175.893 175.800 -0.356 0.000 1.103 628 F CA -0.894 56.964 58.000 -0.238 0.000 1.157 628 F CB 1.518 40.472 39.000 -0.076 0.000 1.167 628 F HN 0.221 nan 8.300 nan 0.000 0.529 629 V N 1.760 121.482 119.914 -0.320 0.000 2.444 629 V HA 0.390 4.509 4.120 -0.001 0.000 0.294 629 V C -0.245 175.684 176.094 -0.275 0.000 1.022 629 V CA -0.806 61.211 62.300 -0.473 0.000 0.850 629 V CB 1.587 32.801 31.823 -1.015 0.000 0.992 629 V HN 0.808 nan 8.190 nan 0.000 0.426 630 S N 5.065 120.691 115.700 -0.124 0.000 2.508 630 S HA 0.778 5.247 4.470 -0.001 0.000 0.284 630 S C -0.651 173.923 174.600 -0.043 0.000 1.192 630 S CA -0.437 57.740 58.200 -0.038 0.000 1.070 630 S CB 0.588 63.820 63.200 0.053 0.000 1.004 630 S HN 0.543 nan 8.310 nan 0.000 0.493 631 L N 3.460 124.654 121.223 -0.048 0.000 2.325 631 L HA 0.529 4.868 4.340 -0.001 0.000 0.278 631 L C -0.043 176.776 176.870 -0.086 0.000 1.023 631 L CA -0.988 53.817 54.840 -0.058 0.000 0.811 631 L CB 1.266 43.271 42.059 -0.090 0.000 1.249 631 L HN 0.548 nan 8.230 nan 0.000 0.431 632 K N 3.264 123.632 120.400 -0.054 0.000 2.165 632 K HA 0.004 4.323 4.320 -0.001 0.000 0.270 632 K C 0.081 176.647 176.600 -0.056 0.000 1.091 632 K CA 0.540 56.807 56.287 -0.033 0.000 1.019 632 K CB -0.708 31.785 32.500 -0.012 0.000 1.101 632 K HN 0.549 nan 8.250 nan 0.000 0.397 633 D N 1.742 122.112 120.400 -0.050 0.000 3.364 633 D HA -0.273 4.366 4.640 -0.001 0.000 0.237 633 D C 0.109 176.322 176.300 -0.145 0.000 1.750 633 D CA 1.878 55.884 54.000 0.010 0.000 1.121 633 D CB -0.529 40.332 40.800 0.101 0.000 0.767 633 D HN 0.542 nan 8.370 nan 0.000 0.926 634 W N -1.127 120.208 121.300 0.059 0.000 3.792 634 W HA 0.518 5.177 4.660 -0.001 0.000 0.217 634 W C 2.153 178.699 176.519 0.045 0.000 1.098 634 W CA 0.914 58.293 57.345 0.057 0.000 1.657 634 W CB -0.837 28.660 29.460 0.061 0.000 0.773 634 W HN 0.425 nan 8.180 nan 0.000 0.836 635 A N 0.168 123.152 122.820 0.272 0.000 2.067 635 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 635 A C 1.262 178.909 177.584 0.105 0.000 1.156 635 A CA 1.712 53.846 52.037 0.162 0.000 0.683 635 A CB -0.487 18.593 19.000 0.134 0.000 0.808 635 A HN 0.087 nan 8.150 nan 0.000 0.455 636 D N 0.063 120.518 120.400 0.091 0.000 2.371 636 D HA -0.040 4.599 4.640 -0.001 0.000 0.221 636 D C 0.836 177.157 176.300 0.034 0.000 0.986 636 D CA 0.622 54.653 54.000 0.052 0.000 0.899 636 D CB 0.058 40.881 40.800 0.039 0.000 0.902 636 D HN 0.582 nan 8.370 nan 0.000 0.530 637 R N 0.192 120.717 120.500 0.042 0.000 2.443 637 R HA 0.320 4.659 4.340 -0.001 0.000 0.287 637 R C -2.514 173.814 176.300 0.048 0.000 1.425 637 R CA -1.407 54.709 56.100 0.027 0.000 1.300 637 R CB 1.104 31.403 30.300 -0.001 0.000 1.129 637 R HN -0.199 nan 8.270 nan 0.000 0.577 638 P HA -0.098 nan 4.420 nan 0.000 0.208 638 P C 0.890 178.215 177.300 0.043 0.000 1.195 638 P CA 1.353 64.481 63.100 0.048 0.000 0.927 638 P CB -0.085 31.636 31.700 0.034 0.000 0.778 639 G N -0.693 108.123 108.800 0.027 0.000 2.683 639 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.260 639 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.260 639 G C 0.878 175.790 174.900 0.019 0.000 1.238 639 G CA -0.187 44.925 45.100 0.021 0.000 0.934 639 G HN 0.220 nan 8.290 nan 0.000 0.534 640 E N -0.297 119.911 120.200 0.013 0.000 2.106 640 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 640 E C 2.275 178.871 176.600 -0.008 0.000 0.984 640 E CA 1.412 57.816 56.400 0.006 0.000 0.806 640 E CB -0.079 29.623 29.700 0.004 0.000 0.750 640 E HN 0.771 nan 8.360 nan 0.000 0.458 641 E N -0.145 120.049 120.200 -0.010 0.000 2.331 641 E HA -0.177 4.173 4.350 -0.001 0.000 0.199 641 E C 1.418 178.005 176.600 -0.022 0.000 1.008 641 E CA 0.831 57.220 56.400 -0.020 0.000 0.843 641 E CB -0.110 29.579 29.700 -0.018 0.000 0.761 641 E HN 0.131 nan 8.360 nan 0.000 0.507 642 N N 0.740 119.432 118.700 -0.013 0.000 2.299 642 N HA 0.038 4.777 4.740 -0.001 0.000 0.187 642 N C -0.339 175.161 175.510 -0.017 0.000 1.099 642 N CA 0.504 53.547 53.050 -0.012 0.000 0.867 642 N CB 0.462 38.949 38.487 -0.001 0.000 0.974 642 N HN 0.216 nan 8.380 nan 0.000 0.477 643 K N -1.774 118.612 120.400 -0.022 0.000 2.346 643 K HA 0.459 4.778 4.320 -0.001 0.000 0.238 643 K C 1.229 177.784 176.600 -0.076 0.000 1.039 643 K CA -0.793 55.471 56.287 -0.039 0.000 0.861 643 K CB 0.339 32.832 32.500 -0.012 0.000 1.278 643 K HN -0.356 nan 8.250 nan 0.000 0.460 644 V N 0.234 120.081 119.914 -0.111 0.000 2.363 644 V HA -0.319 3.801 4.120 -0.001 0.000 0.254 644 V C 2.242 178.216 176.094 -0.200 0.000 1.074 644 V CA 2.284 64.445 62.300 -0.232 0.000 1.069 644 V CB -0.759 30.948 31.823 -0.193 0.000 0.659 644 V HN 0.883 nan 8.190 nan 0.000 0.455 645 E N 0.425 120.565 120.200 -0.100 0.000 2.149 645 E HA -0.332 4.017 4.350 -0.001 0.000 0.215 645 E C 1.914 178.462 176.600 -0.086 0.000 1.055 645 E CA 2.646 59.004 56.400 -0.069 0.000 0.870 645 E CB -0.175 29.507 29.700 -0.030 0.000 0.764 645 E HN 0.665 nan 8.360 nan 0.000 0.463 646 A N -1.096 121.671 122.820 -0.089 0.000 2.508 646 A HA 0.260 4.579 4.320 -0.001 0.000 0.250 646 A C 1.948 179.472 177.584 -0.101 0.000 1.208 646 A CA -0.299 51.688 52.037 -0.084 0.000 0.960 646 A CB 0.146 19.113 19.000 -0.055 0.000 1.099 646 A HN 0.163 nan 8.150 nan 0.000 0.542 647 I N 1.037 121.531 120.570 -0.127 0.000 2.208 647 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 647 I C 2.880 178.906 176.117 -0.152 0.000 1.097 647 I CA 2.088 63.321 61.300 -0.111 0.000 1.363 647 I CB -0.217 37.730 38.000 -0.088 0.000 1.051 647 I HN 0.537 nan 8.210 nan 0.000 0.413 648 T N -1.652 112.725 114.554 -0.296 0.000 2.915 648 T HA -0.181 4.168 4.350 -0.001 0.000 0.269 648 T C 1.904 176.518 174.700 -0.143 0.000 1.071 648 T CA 0.648 62.599 62.100 -0.248 0.000 1.132 648 T CB -0.154 68.526 68.868 -0.314 0.000 0.878 648 T HN 0.098 nan 8.240 nan 0.000 0.479 649 M N 1.985 121.509 119.600 -0.127 0.000 2.067 649 M HA 0.007 4.486 4.480 -0.001 0.000 0.260 649 M C 2.345 178.571 176.300 -0.123 0.000 1.069 649 M CA 1.724 56.965 55.300 -0.098 0.000 1.117 649 M CB -0.616 31.939 32.600 -0.075 0.000 1.334 649 M HN 0.323 nan 8.290 nan 0.000 0.407 650 R N -0.280 120.143 120.500 -0.128 0.000 2.115 650 R HA 0.119 4.458 4.340 -0.001 0.000 0.226 650 R C 2.219 178.299 176.300 -0.366 0.000 1.100 650 R CA 1.284 57.292 56.100 -0.153 0.000 0.980 650 R CB -1.203 29.068 30.300 -0.048 0.000 0.875 650 R HN 0.383 nan 8.270 nan 0.000 0.445 651 A N 1.289 123.843 122.820 -0.443 0.000 1.865 651 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 651 A C 2.287 179.376 177.584 -0.825 0.000 1.191 651 A CA 2.213 53.670 52.037 -0.968 0.000 0.623 651 A CB -1.387 17.325 19.000 -0.480 0.000 0.826 651 A HN 0.512 nan 8.150 nan 0.000 0.444 652 T N -1.952 112.426 114.554 -0.293 0.000 2.788 652 T HA -0.192 4.157 4.350 -0.001 0.000 0.268 652 T C 1.971 176.578 174.700 -0.155 0.000 1.044 652 T CA 1.474 63.513 62.100 -0.103 0.000 1.139 652 T CB -0.296 68.568 68.868 -0.007 0.000 0.867 652 T HN 0.521 nan 8.240 nan 0.000 0.454 653 R N 1.392 121.767 120.500 -0.209 0.000 2.064 653 R HA 0.149 4.488 4.340 -0.001 0.000 0.228 653 R C 2.865 179.039 176.300 -0.210 0.000 1.144 653 R CA 1.330 57.329 56.100 -0.167 0.000 0.932 653 R CB -0.861 29.358 30.300 -0.135 0.000 0.833 653 R HN 0.420 nan 8.270 nan 0.000 0.429 654 A N 0.338 122.941 122.820 -0.363 0.000 1.940 654 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 654 A C 1.948 179.391 177.584 -0.234 0.000 1.176 654 A CA 1.372 53.191 52.037 -0.363 0.000 0.631 654 A CB -0.677 17.972 19.000 -0.586 0.000 0.814 654 A HN 0.370 nan 8.150 nan 0.000 0.446 655 F N -0.224 119.567 119.950 -0.265 0.000 2.098 655 F HA -0.036 4.490 4.527 -0.002 0.000 0.294 655 F C 2.932 178.644 175.800 -0.147 0.000 1.107 655 F CA 1.106 58.992 58.000 -0.191 0.000 1.234 655 F CB -1.149 37.751 39.000 -0.167 0.000 1.002 655 F HN 0.248 nan 8.300 nan 0.000 0.472 656 S N -0.900 114.821 115.700 0.036 0.000 2.461 656 S HA -0.102 4.367 4.470 -0.001 0.000 0.228 656 S C 2.029 176.602 174.600 -0.045 0.000 1.005 656 S CA 0.375 58.547 58.200 -0.046 0.000 0.942 656 S CB -0.204 62.937 63.200 -0.098 0.000 0.776 656 S HN 0.259 nan 8.310 nan 0.000 0.514 657 Q N 0.488 120.262 119.800 -0.044 0.000 2.014 657 Q HA -0.050 4.289 4.340 -0.001 0.000 0.207 657 Q C 0.218 176.203 176.000 -0.026 0.000 0.993 657 Q CA 1.229 57.008 55.803 -0.039 0.000 0.850 657 Q CB -0.080 28.631 28.738 -0.045 0.000 0.916 657 Q HN 0.571 nan 8.270 nan 0.000 0.417 658 I N 0.203 120.765 120.570 -0.014 0.000 2.497 658 I HA 0.359 4.528 4.170 -0.001 0.000 0.284 658 I C -0.694 175.421 176.117 -0.004 0.000 1.060 658 I CA -0.626 60.668 61.300 -0.010 0.000 1.071 658 I CB 2.004 40.000 38.000 -0.006 0.000 1.216 658 I HN -0.178 nan 8.210 nan 0.000 0.442 659 K N 3.404 123.796 120.400 -0.013 0.000 2.598 659 K HA 0.260 4.579 4.320 -0.001 0.000 0.271 659 K C -0.320 176.268 176.600 -0.020 0.000 0.947 659 K CA -0.488 55.790 56.287 -0.016 0.000 0.854 659 K CB 1.366 33.854 32.500 -0.019 0.000 1.401 659 K HN 0.538 nan 8.250 nan 0.000 0.415 660 D N 0.374 120.763 120.400 -0.018 0.000 2.277 660 D HA 0.128 4.767 4.640 -0.001 0.000 0.208 660 D C 0.159 176.451 176.300 -0.012 0.000 0.962 660 D CA 0.570 54.561 54.000 -0.014 0.000 0.865 660 D CB 0.216 41.009 40.800 -0.012 0.000 0.939 660 D HN 0.417 nan 8.370 nan 0.000 0.510 661 A N 0.533 123.342 122.820 -0.018 0.000 2.413 661 A HA 0.650 4.969 4.320 -0.001 0.000 0.307 661 A C 0.140 177.705 177.584 -0.033 0.000 1.087 661 A CA -1.044 50.986 52.037 -0.011 0.000 0.750 661 A CB 1.263 20.263 19.000 -0.001 0.000 1.296 661 A HN 0.166 nan 8.150 nan 0.000 0.423 662 M N 1.518 121.102 119.600 -0.026 0.000 2.228 662 M HA 0.559 5.038 4.480 -0.001 0.000 0.351 662 M C -0.579 175.658 176.300 -0.106 0.000 1.233 662 M CA -0.179 55.058 55.300 -0.105 0.000 1.129 662 M CB -0.476 32.074 32.600 -0.083 0.000 1.604 662 M HN 0.781 nan 8.290 nan 0.000 0.457 663 V N 1.194 120.956 119.914 -0.253 0.000 2.888 663 V HA 0.605 4.724 4.120 -0.001 0.000 0.309 663 V C -0.748 175.218 176.094 -0.213 0.000 1.114 663 V CA -0.756 61.469 62.300 -0.126 0.000 0.940 663 V CB 1.630 33.367 31.823 -0.145 0.000 1.021 663 V HN 0.920 nan 8.190 nan 0.000 0.426 664 F N 1.714 121.771 119.950 0.179 0.000 2.322 664 F HA 0.847 5.374 4.527 -0.001 0.000 0.223 664 F C 1.311 177.286 175.800 0.291 0.000 1.054 664 F CA 0.439 58.580 58.000 0.235 0.000 1.129 664 F CB -0.290 38.876 39.000 0.276 0.000 1.438 664 F HN 1.065 nan 8.300 nan 0.000 0.597 665 A N 0.993 124.113 122.820 0.500 0.000 3.643 665 A HA 0.014 4.333 4.320 -0.001 0.000 0.249 665 A C -0.286 177.453 177.584 0.259 0.000 1.251 665 A CA -0.135 52.106 52.037 0.341 0.000 0.759 665 A CB -2.823 16.495 19.000 0.531 0.000 1.010 665 A HN 0.545 nan 8.150 nan 0.000 0.428 666 F N 0.176 120.302 119.950 0.293 0.000 2.399 666 F HA 0.770 5.296 4.527 -0.002 0.000 0.313 666 F C 0.485 176.394 175.800 0.181 0.000 1.202 666 F CA -0.882 57.223 58.000 0.175 0.000 1.192 666 F CB 0.345 39.399 39.000 0.089 0.000 1.256 666 F HN 0.407 nan 8.300 nan 0.000 0.558 667 N N 0.875 119.769 118.700 0.323 0.000 2.399 667 N HA 0.292 5.031 4.740 -0.001 0.000 0.295 667 N C -1.423 174.266 175.510 0.297 0.000 1.048 667 N CA -0.787 52.393 53.050 0.216 0.000 0.886 667 N CB 1.349 39.882 38.487 0.076 0.000 1.185 667 N HN 0.784 nan 8.380 nan 0.000 0.487 668 L N 5.132 126.515 121.223 0.267 0.000 2.534 668 L HA 0.284 4.624 4.340 -0.001 0.000 0.271 668 L C -1.647 175.325 176.870 0.169 0.000 1.178 668 L CA -0.866 54.123 54.840 0.249 0.000 0.907 668 L CB 0.547 42.754 42.059 0.246 0.000 1.164 668 L HN 0.607 nan 8.230 nan 0.000 0.482 669 P HA 0.100 nan 4.420 nan 0.000 0.263 669 P C 0.452 177.778 177.300 0.044 0.000 1.386 669 P CA 0.684 63.809 63.100 0.043 0.000 0.797 669 P CB 0.048 31.731 31.700 -0.028 0.000 1.381 670 A N -1.397 121.495 122.820 0.119 0.000 2.861 670 A HA -0.202 4.117 4.320 -0.001 0.000 0.261 670 A C 0.454 178.107 177.584 0.114 0.000 1.351 670 A CA 1.684 53.822 52.037 0.170 0.000 0.904 670 A CB -2.719 16.341 19.000 0.100 0.000 1.076 670 A HN 0.425 nan 8.150 nan 0.000 0.729 671 I N -6.790 113.803 120.570 0.038 0.000 3.437 671 I HA 0.633 4.802 4.170 -0.001 0.000 0.319 671 I C 1.385 177.500 176.117 -0.002 0.000 1.259 671 I CA -0.407 60.820 61.300 -0.121 0.000 0.927 671 I CB 0.359 38.198 38.000 -0.269 0.000 1.322 671 I HN 0.504 nan 8.210 nan 0.000 0.473 672 V N -1.108 118.781 119.914 -0.042 0.000 2.244 672 V HA 0.158 4.277 4.120 -0.001 0.000 0.244 672 V C 0.614 176.688 176.094 -0.034 0.000 1.042 672 V CA 2.037 64.333 62.300 -0.006 0.000 1.006 672 V CB -1.372 30.448 31.823 -0.004 0.000 0.641 672 V HN 1.079 nan 8.190 nan 0.000 0.446 673 E N 0.173 120.337 120.200 -0.060 0.000 1.894 673 E HA 0.439 4.788 4.350 -0.001 0.000 0.215 673 E C -1.041 175.499 176.600 -0.099 0.000 1.642 673 E CA -0.756 55.595 56.400 -0.081 0.000 1.032 673 E CB 0.325 29.986 29.700 -0.066 0.000 1.625 673 E HN 1.082 nan 8.360 nan 0.000 0.591 674 L N -1.949 119.216 121.223 -0.096 0.000 1.435 674 L HA 0.147 4.486 4.340 -0.001 0.000 0.394 674 L C 0.165 176.910 176.870 -0.207 0.000 1.004 674 L CA 1.309 56.092 54.840 -0.095 0.000 1.225 674 L CB -2.279 39.771 42.059 -0.015 0.000 0.571 674 L HN 1.595 nan 8.230 nan 0.000 0.324 675 G N 1.878 110.536 108.800 -0.236 0.000 2.547 675 G HA2 0.142 4.101 3.960 -0.001 0.000 0.226 675 G HA3 0.142 4.101 3.960 -0.001 0.000 0.226 675 G C 0.799 175.252 174.900 -0.744 0.000 0.871 675 G CA 0.535 45.358 45.100 -0.461 0.000 1.142 675 G HN 2.358 nan 8.290 nan 0.000 0.362 676 T N -0.463 113.826 114.554 -0.442 0.000 2.623 676 T HA 0.439 4.788 4.350 -0.001 0.000 0.254 676 T C 1.973 176.469 174.700 -0.341 0.000 1.075 676 T CA 2.776 64.669 62.100 -0.345 0.000 1.177 676 T CB 0.013 68.773 68.868 -0.180 0.000 0.869 676 T HN 2.067 nan 8.240 nan 0.000 0.403 677 A N 0.429 123.174 122.820 -0.125 0.000 1.547 677 A HA 0.309 4.628 4.320 -0.001 0.000 0.206 677 A C 1.783 179.455 177.584 0.147 0.000 1.773 677 A CA 0.717 52.834 52.037 0.134 0.000 1.530 677 A CB -0.465 18.595 19.000 0.101 0.000 1.435 677 A HN 0.725 nan 8.150 nan 0.000 0.420 678 T N -1.358 113.231 114.554 0.058 0.000 3.182 678 T HA 0.506 4.855 4.350 -0.001 0.000 0.277 678 T C 0.806 175.534 174.700 0.048 0.000 1.013 678 T CA 0.798 62.933 62.100 0.059 0.000 0.900 678 T CB 0.125 69.015 68.868 0.037 0.000 1.098 678 T HN 1.015 nan 8.240 nan 0.000 0.543 679 G N 1.565 110.372 108.800 0.011 0.000 2.537 679 G HA2 0.556 4.515 3.960 -0.001 0.000 0.273 679 G HA3 0.556 4.515 3.960 -0.001 0.000 0.273 679 G C -0.805 174.145 174.900 0.083 0.000 1.189 679 G CA -0.831 44.257 45.100 -0.021 0.000 0.881 679 G HN 0.538 nan 8.290 nan 0.000 0.535 680 F N -0.947 119.011 119.950 0.013 0.000 2.626 680 F HA 0.727 5.252 4.527 -0.002 0.000 0.311 680 F C -1.660 174.229 175.800 0.148 0.000 1.088 680 F CA -2.164 55.887 58.000 0.085 0.000 0.949 680 F CB 2.459 41.531 39.000 0.121 0.000 1.322 680 F HN 0.408 nan 8.300 nan 0.000 0.461 681 D N 2.681 123.486 120.400 0.676 0.000 2.346 681 D HA 0.254 4.894 4.640 -0.001 0.000 0.255 681 D C -1.625 174.916 176.300 0.402 0.000 1.276 681 D CA -0.073 54.157 54.000 0.383 0.000 0.941 681 D CB 0.458 41.322 40.800 0.106 0.000 1.199 681 D HN 0.515 nan 8.370 nan 0.000 0.537 682 F N 2.020 122.099 119.950 0.216 0.000 2.410 682 F HA 0.513 5.039 4.527 -0.001 0.000 0.334 682 F C 0.089 175.639 175.800 -0.417 0.000 1.134 682 F CA -0.150 57.554 58.000 -0.492 0.000 1.227 682 F CB 1.041 39.786 39.000 -0.424 0.000 1.194 682 F HN 0.248 nan 8.300 nan 0.000 0.571 683 E N 4.354 123.625 120.200 -1.548 0.000 2.278 683 E HA 0.392 4.741 4.350 -0.001 0.000 0.272 683 E C -2.052 173.830 176.600 -1.198 0.000 0.890 683 E CA -0.862 54.895 56.400 -1.072 0.000 0.770 683 E CB 1.721 30.895 29.700 -0.875 0.000 1.212 683 E HN 0.645 nan 8.360 nan 0.000 0.415 684 L N 5.831 126.675 121.223 -0.632 0.000 2.296 684 L HA 0.579 4.918 4.340 -0.001 0.000 0.286 684 L C -1.294 175.458 176.870 -0.196 0.000 1.023 684 L CA -0.238 54.403 54.840 -0.333 0.000 0.812 684 L CB 0.980 43.012 42.059 -0.045 0.000 1.223 684 L HN 0.508 nan 8.230 nan 0.000 0.421 685 I N 3.018 123.497 120.570 -0.152 0.000 2.530 685 I HA 0.306 4.476 4.170 -0.001 0.000 0.297 685 I C -0.631 175.463 176.117 -0.038 0.000 1.011 685 I CA -0.829 60.421 61.300 -0.082 0.000 1.107 685 I CB 1.768 39.725 38.000 -0.072 0.000 1.285 685 I HN 0.481 nan 8.210 nan 0.000 0.436 686 D N 4.636 125.028 120.400 -0.014 0.000 2.344 686 D HA 0.080 4.719 4.640 -0.001 0.000 0.253 686 D C 0.598 176.892 176.300 -0.009 0.000 1.255 686 D CA 0.239 54.238 54.000 -0.002 0.000 0.894 686 D CB 0.884 41.692 40.800 0.013 0.000 1.067 686 D HN 0.398 nan 8.370 nan 0.000 0.492 687 Q N 2.698 122.489 119.800 -0.015 0.000 2.274 687 Q HA 0.102 4.441 4.340 -0.001 0.000 0.198 687 Q C 1.696 177.688 176.000 -0.014 0.000 0.955 687 Q CA 0.698 56.489 55.803 -0.021 0.000 0.859 687 Q CB -0.215 28.502 28.738 -0.034 0.000 0.956 687 Q HN 0.576 nan 8.270 nan 0.000 0.516 688 A N 0.269 123.083 122.820 -0.009 0.000 2.066 688 A HA 0.228 4.547 4.320 -0.001 0.000 0.218 688 A C 1.270 178.853 177.584 -0.002 0.000 1.157 688 A CA 1.356 53.389 52.037 -0.006 0.000 0.670 688 A CB -0.271 18.727 19.000 -0.004 0.000 0.804 688 A HN 0.478 nan 8.150 nan 0.000 0.453 689 G N -1.122 107.678 108.800 0.000 0.000 2.226 689 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.176 689 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.176 689 G C -0.211 174.694 174.900 0.009 0.000 1.042 689 G CA -0.087 45.015 45.100 0.004 0.000 0.732 689 G HN 0.221 nan 8.290 nan 0.000 0.494 690 L N 0.244 121.474 121.223 0.011 0.000 2.482 690 L HA 0.686 5.025 4.340 -0.001 0.000 0.242 690 L C 1.720 178.605 176.870 0.025 0.000 1.210 690 L CA 0.511 55.359 54.840 0.014 0.000 0.819 690 L CB -0.726 41.340 42.059 0.011 0.000 1.203 690 L HN 0.342 nan 8.230 nan 0.000 0.495 691 G N -1.608 107.206 108.800 0.024 0.000 2.569 691 G HA2 0.105 4.064 3.960 -0.001 0.000 0.249 691 G HA3 0.105 4.064 3.960 -0.001 0.000 0.249 691 G C 0.856 175.797 174.900 0.068 0.000 1.216 691 G CA 0.035 45.159 45.100 0.041 0.000 0.845 691 G HN 0.852 nan 8.290 nan 0.000 0.568 692 H N 0.196 119.267 119.070 0.001 0.000 2.387 692 H HA -0.099 4.456 4.556 -0.001 0.000 0.299 692 H C 2.172 177.499 175.328 -0.001 0.000 1.090 692 H CA 2.337 58.385 56.048 0.001 0.000 1.332 692 H CB 0.096 29.861 29.762 0.004 0.000 1.386 692 H HN 0.597 nan 8.280 nan 0.000 0.516 693 E N 0.576 120.607 120.200 -0.282 0.000 2.106 693 E HA -0.090 4.259 4.350 -0.001 0.000 0.192 693 E C 2.146 178.653 176.600 -0.155 0.000 0.984 693 E CA 1.067 57.287 56.400 -0.300 0.000 0.806 693 E CB -0.092 29.505 29.700 -0.171 0.000 0.750 693 E HN 0.446 nan 8.360 nan 0.000 0.458 694 K N 0.361 120.715 120.400 -0.077 0.000 2.217 694 K HA 0.002 4.321 4.320 -0.001 0.000 0.202 694 K C 1.927 178.511 176.600 -0.026 0.000 1.051 694 K CA 0.430 56.693 56.287 -0.039 0.000 0.952 694 K CB 0.038 32.528 32.500 -0.016 0.000 0.736 694 K HN 0.157 nan 8.250 nan 0.000 0.453 695 L N 0.428 121.642 121.223 -0.014 0.000 2.049 695 L HA -0.126 4.213 4.340 -0.001 0.000 0.203 695 L C 1.783 178.655 176.870 0.004 0.000 1.074 695 L CA 1.446 56.296 54.840 0.016 0.000 0.749 695 L CB -0.365 41.734 42.059 0.068 0.000 0.907 695 L HN 0.199 nan 8.230 nan 0.000 0.439 696 T N -0.816 113.717 114.554 -0.035 0.000 2.849 696 T HA -0.235 4.114 4.350 -0.001 0.000 0.270 696 T C 1.792 176.467 174.700 -0.041 0.000 1.066 696 T CA 0.993 63.068 62.100 -0.043 0.000 1.130 696 T CB -0.197 68.586 68.868 -0.142 0.000 0.864 696 T HN 0.300 nan 8.240 nan 0.000 0.481 697 Q N 0.827 120.598 119.800 -0.049 0.000 2.083 697 Q HA 0.122 4.461 4.340 -0.001 0.000 0.198 697 Q C 2.614 178.607 176.000 -0.012 0.000 0.969 697 Q CA 1.513 57.295 55.803 -0.036 0.000 0.838 697 Q CB -0.526 28.188 28.738 -0.039 0.000 0.900 697 Q HN 0.587 nan 8.270 nan 0.000 0.436 698 A N 0.807 123.626 122.820 -0.001 0.000 2.015 698 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 698 A C 2.096 179.697 177.584 0.029 0.000 1.163 698 A CA 1.015 53.061 52.037 0.015 0.000 0.646 698 A CB -0.382 18.631 19.000 0.023 0.000 0.806 698 A HN 0.133 nan 8.150 nan 0.000 0.448 699 R N 0.425 120.943 120.500 0.030 0.000 2.075 699 R HA -0.084 4.255 4.340 -0.001 0.000 0.232 699 R C 1.441 177.759 176.300 0.030 0.000 1.126 699 R CA 1.524 57.651 56.100 0.044 0.000 0.963 699 R CB -0.572 29.753 30.300 0.042 0.000 0.858 699 R HN 0.556 nan 8.270 nan 0.000 0.435 700 N N 0.787 119.494 118.700 0.011 0.000 2.188 700 N HA -0.166 4.573 4.740 -0.001 0.000 0.184 700 N C 1.733 177.245 175.510 0.005 0.000 1.018 700 N CA 0.836 53.889 53.050 0.004 0.000 0.858 700 N CB -0.126 38.354 38.487 -0.011 0.000 0.989 700 N HN 0.406 nan 8.380 nan 0.000 0.426 701 Q N 0.703 120.505 119.800 0.004 0.000 2.119 701 Q HA -0.066 4.273 4.340 -0.001 0.000 0.201 701 Q C 2.188 178.187 176.000 -0.000 0.000 0.972 701 Q CA 0.788 56.593 55.803 0.003 0.000 0.847 701 Q CB 0.036 28.776 28.738 0.003 0.000 0.903 701 Q HN 0.298 nan 8.270 nan 0.000 0.433 702 L N -0.010 121.213 121.223 0.000 0.000 2.072 702 L HA -0.100 4.239 4.340 -0.001 0.000 0.205 702 L C 1.963 178.818 176.870 -0.025 0.000 1.079 702 L CA 1.031 55.856 54.840 -0.026 0.000 0.752 702 L CB -0.085 41.962 42.059 -0.021 0.000 0.906 702 L HN 0.241 nan 8.230 nan 0.000 0.436 703 L N -0.290 120.935 121.223 0.003 0.000 2.362 703 L HA -0.104 4.235 4.340 -0.001 0.000 0.219 703 L C 2.581 179.460 176.870 0.016 0.000 1.134 703 L CA 0.743 55.591 54.840 0.014 0.000 0.807 703 L CB -0.614 41.460 42.059 0.025 0.000 0.927 703 L HN 0.405 nan 8.230 nan 0.000 0.447 704 A N -0.485 122.342 122.820 0.011 0.000 1.935 704 A HA -0.169 4.151 4.320 -0.001 0.000 0.214 704 A C 2.227 179.828 177.584 0.028 0.000 1.178 704 A CA 1.154 53.201 52.037 0.017 0.000 0.640 704 A CB -0.168 18.839 19.000 0.011 0.000 0.825 704 A HN 0.388 nan 8.150 nan 0.000 0.447 705 E N -0.429 119.784 120.200 0.020 0.000 2.250 705 E HA 0.112 4.461 4.350 -0.001 0.000 0.192 705 E C 2.008 178.639 176.600 0.052 0.000 0.986 705 E CA 0.621 57.047 56.400 0.043 0.000 0.849 705 E CB -0.094 29.610 29.700 0.008 0.000 0.797 705 E HN 0.515 nan 8.360 nan 0.000 0.482 706 A N 1.136 123.954 122.820 -0.005 0.000 1.873 706 A HA -0.027 4.292 4.320 -0.001 0.000 0.215 706 A C 2.334 179.957 177.584 0.065 0.000 1.186 706 A CA 1.515 53.542 52.037 -0.017 0.000 0.616 706 A CB -0.615 18.369 19.000 -0.027 0.000 0.823 706 A HN 0.346 nan 8.150 nan 0.000 0.442 707 A N -0.803 122.055 122.820 0.063 0.000 2.066 707 A HA -0.045 4.274 4.320 -0.001 0.000 0.218 707 A C 1.987 179.619 177.584 0.081 0.000 1.157 707 A CA 1.462 53.539 52.037 0.067 0.000 0.670 707 A CB -0.327 18.700 19.000 0.044 0.000 0.804 707 A HN 0.354 nan 8.150 nan 0.000 0.453 708 K N -0.089 120.376 120.400 0.108 0.000 2.574 708 K HA -0.108 4.211 4.320 -0.001 0.000 0.193 708 K C -0.531 176.118 176.600 0.082 0.000 1.035 708 K CA 0.537 56.881 56.287 0.095 0.000 0.982 708 K CB -0.258 32.305 32.500 0.106 0.000 0.795 708 K HN 0.598 nan 8.250 nan 0.000 0.491 709 H N 0.023 119.092 119.070 -0.001 0.000 2.410 709 H HA 0.207 4.762 4.556 -0.001 0.000 0.232 709 H C -2.008 173.323 175.328 0.005 0.000 1.535 709 H CA -2.013 54.034 56.048 -0.001 0.000 1.310 709 H CB 1.368 31.127 29.762 -0.004 0.000 1.518 709 H HN 0.107 nan 8.280 nan 0.000 0.545 710 P HA -0.070 nan 4.420 nan 0.000 0.222 710 P C -0.196 177.115 177.300 0.018 0.000 1.153 710 P CA 0.726 63.844 63.100 0.029 0.000 0.798 710 P CB 0.438 32.141 31.700 0.005 0.000 0.796 711 D N 0.862 121.253 120.400 -0.015 0.000 2.383 711 D HA 0.177 4.816 4.640 -0.001 0.000 0.252 711 D C 0.608 176.939 176.300 0.052 0.000 1.166 711 D CA 0.160 54.152 54.000 -0.013 0.000 0.879 711 D CB 0.010 40.767 40.800 -0.072 0.000 1.164 711 D HN -0.115 nan 8.370 nan 0.000 0.462 712 M N 0.865 120.498 119.600 0.055 0.000 2.573 712 M HA -0.239 4.240 4.480 -0.001 0.000 0.184 712 M C -0.260 176.094 176.300 0.089 0.000 0.953 712 M CA 0.210 55.554 55.300 0.074 0.000 0.592 712 M CB -1.443 31.218 32.600 0.102 0.000 1.151 712 M HN 0.460 nan 8.290 nan 0.000 0.850 713 L N 0.646 121.908 121.223 0.064 0.000 2.492 713 L HA 0.451 4.790 4.340 -0.001 0.000 0.280 713 L C 0.826 177.741 176.870 0.075 0.000 1.240 713 L CA 1.145 56.025 54.840 0.067 0.000 0.831 713 L CB 0.626 42.710 42.059 0.042 0.000 1.100 713 L HN 0.700 nan 8.230 nan 0.000 0.505 714 T N -0.592 114.011 114.554 0.081 0.000 2.821 714 T HA 0.496 4.845 4.350 -0.001 0.000 0.306 714 T C -0.900 173.836 174.700 0.060 0.000 1.313 714 T CA -0.876 61.279 62.100 0.091 0.000 1.012 714 T CB 1.568 70.521 68.868 0.141 0.000 1.298 714 T HN 0.394 nan 8.240 nan 0.000 0.502 715 S N 1.173 116.892 115.700 0.030 0.000 2.664 715 S HA 0.597 5.066 4.470 -0.001 0.000 0.262 715 S C -0.216 174.364 174.600 -0.034 0.000 1.229 715 S CA -0.791 57.411 58.200 0.004 0.000 1.151 715 S CB 0.744 63.941 63.200 -0.006 0.000 1.054 715 S HN 1.033 nan 8.310 nan 0.000 0.483 716 V N 1.489 121.405 119.914 0.003 0.000 2.495 716 V HA 0.808 4.927 4.120 -0.001 0.000 0.298 716 V C -0.418 175.682 176.094 0.011 0.000 1.031 716 V CA -0.742 61.558 62.300 -0.001 0.000 0.871 716 V CB 1.544 33.411 31.823 0.073 0.000 0.988 716 V HN 0.644 nan 8.190 nan 0.000 0.432 717 R N 4.166 124.664 120.500 -0.004 0.000 2.668 717 R HA 0.642 4.981 4.340 -0.001 0.000 0.272 717 R C -2.939 173.368 176.300 0.012 0.000 1.019 717 R CA -1.498 54.611 56.100 0.016 0.000 0.894 717 R CB 3.233 33.549 30.300 0.027 0.000 1.228 717 R HN 0.588 nan 8.270 nan 0.000 0.460 718 P HA 0.252 nan 4.420 nan 0.000 0.328 718 P C -0.838 176.471 177.300 0.014 0.000 1.305 718 P CA -0.591 62.523 63.100 0.025 0.000 0.745 718 P CB 0.982 32.703 31.700 0.035 0.000 1.462 719 N N -1.501 117.209 118.700 0.016 0.000 2.314 719 N HA 0.297 5.036 4.740 -0.001 0.000 0.294 719 N C 0.221 175.750 175.510 0.032 0.000 1.029 719 N CA -0.236 52.823 53.050 0.015 0.000 0.845 719 N CB 1.333 39.821 38.487 0.001 0.000 1.321 719 N HN 0.712 nan 8.380 nan 0.000 0.481 720 G N 2.280 111.106 108.800 0.044 0.000 2.422 720 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.301 720 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.301 720 G C 1.054 175.988 174.900 0.057 0.000 0.981 720 G CA 1.033 46.166 45.100 0.055 0.000 0.994 720 G HN 0.676 nan 8.290 nan 0.000 0.514 721 L N -0.907 120.349 121.223 0.056 0.000 1.978 721 L HA -0.219 4.120 4.340 -0.001 0.000 0.235 721 L C 2.277 179.183 176.870 0.060 0.000 1.094 721 L CA 3.155 58.027 54.840 0.054 0.000 0.814 721 L CB -0.172 41.915 42.059 0.047 0.000 0.911 721 L HN 0.547 nan 8.230 nan 0.000 0.442 722 E N -0.690 119.545 120.200 0.059 0.000 3.365 722 E HA -0.403 3.946 4.350 -0.001 0.000 0.433 722 E C 0.556 177.193 176.600 0.061 0.000 1.581 722 E CA 1.834 58.276 56.400 0.069 0.000 1.316 722 E CB -1.568 28.184 29.700 0.086 0.000 1.452 722 E HN 0.802 nan 8.360 nan 0.000 0.452 723 D N 0.067 120.527 120.400 0.100 0.000 3.092 723 D HA -0.087 4.552 4.640 -0.001 0.000 0.253 723 D C -0.677 175.752 176.300 0.214 0.000 1.063 723 D CA 1.251 55.328 54.000 0.128 0.000 0.886 723 D CB -1.094 39.725 40.800 0.032 0.000 1.021 723 D HN 0.547 nan 8.370 nan 0.000 0.425 724 T N -1.228 113.471 114.554 0.243 0.000 2.909 724 T HA 0.656 5.005 4.350 -0.001 0.000 0.289 724 T C -2.398 172.505 174.700 0.338 0.000 1.005 724 T CA -1.738 60.535 62.100 0.288 0.000 1.084 724 T CB 1.892 70.876 68.868 0.193 0.000 0.975 724 T HN -0.061 nan 8.240 nan 0.000 0.509 725 P HA 0.106 nan 4.420 nan 0.000 0.266 725 P C -0.705 176.833 177.300 0.396 0.000 1.215 725 P CA -0.047 63.148 63.100 0.159 0.000 0.763 725 P CB 0.205 31.866 31.700 -0.066 0.000 0.806 726 Q N 2.900 122.857 119.800 0.261 0.000 2.333 726 Q HA 0.456 4.795 4.340 -0.001 0.000 0.267 726 Q C -1.013 174.949 176.000 -0.064 0.000 1.012 726 Q CA -0.949 54.940 55.803 0.143 0.000 0.824 726 Q CB 1.221 30.010 28.738 0.085 0.000 1.290 726 Q HN 0.222 nan 8.270 nan 0.000 0.449 727 F N 2.426 122.096 119.950 -0.467 0.000 2.504 727 F HA 0.180 4.706 4.527 -0.002 0.000 0.369 727 F C 0.095 175.640 175.800 -0.425 0.000 1.082 727 F CA 0.286 57.839 58.000 -0.745 0.000 1.216 727 F CB 0.770 39.177 39.000 -0.988 0.000 1.108 727 F HN 0.530 nan 8.300 nan 0.000 0.554 728 K N 6.915 126.949 120.400 -0.610 0.000 2.339 728 K HA 0.439 4.758 4.320 -0.001 0.000 0.264 728 K C -1.175 175.223 176.600 -0.336 0.000 0.986 728 K CA -0.744 55.334 56.287 -0.348 0.000 0.866 728 K CB 0.690 33.031 32.500 -0.264 0.000 1.103 728 K HN 0.539 nan 8.250 nan 0.000 0.441 729 I N 3.584 124.057 120.570 -0.162 0.000 2.379 729 I HA 0.028 4.197 4.170 -0.001 0.000 0.290 729 I C 0.206 176.294 176.117 -0.048 0.000 1.063 729 I CA 0.123 61.377 61.300 -0.076 0.000 1.351 729 I CB 0.838 38.804 38.000 -0.057 0.000 1.410 729 I HN 0.464 nan 8.210 nan 0.000 0.505 730 D N 7.889 128.272 120.400 -0.029 0.000 2.467 730 D HA 0.184 4.824 4.640 -0.001 0.000 0.220 730 D C -0.319 176.007 176.300 0.044 0.000 1.103 730 D CA -0.475 53.517 54.000 -0.014 0.000 0.886 730 D CB 0.690 41.468 40.800 -0.038 0.000 1.025 730 D HN 0.180 nan 8.370 nan 0.000 0.514 731 I N 2.791 123.387 120.570 0.043 0.000 2.517 731 I HA 0.009 4.178 4.170 -0.001 0.000 0.285 731 I C 0.866 176.990 176.117 0.012 0.000 1.106 731 I CA -0.071 61.257 61.300 0.047 0.000 1.402 731 I CB 0.491 38.478 38.000 -0.022 0.000 1.399 731 I HN 0.267 nan 8.210 nan 0.000 0.535 732 D N 7.155 127.581 120.400 0.043 0.000 2.344 732 D HA 0.017 4.656 4.640 -0.001 0.000 0.253 732 D C 1.097 177.383 176.300 -0.024 0.000 1.255 732 D CA -0.168 53.845 54.000 0.022 0.000 0.894 732 D CB 1.094 41.928 40.800 0.058 0.000 1.067 732 D HN 0.413 nan 8.370 nan 0.000 0.492 733 Q N 2.698 122.475 119.800 -0.039 0.000 2.124 733 Q HA -0.194 4.145 4.340 -0.001 0.000 0.202 733 Q C 1.633 177.602 176.000 -0.051 0.000 0.977 733 Q CA 1.277 57.044 55.803 -0.061 0.000 0.850 733 Q CB 0.146 28.856 28.738 -0.047 0.000 0.901 733 Q HN 0.749 nan 8.270 nan 0.000 0.429 734 E N -0.022 120.163 120.200 -0.025 0.000 2.230 734 E HA -0.040 4.309 4.350 -0.001 0.000 0.192 734 E C 1.707 178.305 176.600 -0.004 0.000 0.987 734 E CA 0.344 56.735 56.400 -0.015 0.000 0.841 734 E CB -0.024 29.672 29.700 -0.007 0.000 0.783 734 E HN 0.104 nan 8.360 nan 0.000 0.481 735 K N 0.676 121.083 120.400 0.012 0.000 2.103 735 K HA 0.026 4.345 4.320 -0.001 0.000 0.204 735 K C 2.214 178.844 176.600 0.049 0.000 1.052 735 K CA 0.997 57.310 56.287 0.044 0.000 0.945 735 K CB -0.032 32.515 32.500 0.079 0.000 0.722 735 K HN 0.199 nan 8.250 nan 0.000 0.443 736 A N 1.165 123.977 122.820 -0.013 0.000 1.897 736 A HA -0.185 4.134 4.320 -0.001 0.000 0.215 736 A C 2.031 179.565 177.584 -0.083 0.000 1.181 736 A CA 1.128 53.097 52.037 -0.114 0.000 0.620 736 A CB -0.423 18.352 19.000 -0.376 0.000 0.821 736 A HN 0.289 nan 8.150 nan 0.000 0.443 737 Q N -0.685 119.073 119.800 -0.070 0.000 2.291 737 Q HA -0.090 4.249 4.340 -0.001 0.000 0.206 737 Q C 2.037 178.025 176.000 -0.020 0.000 0.976 737 Q CA 1.109 56.884 55.803 -0.048 0.000 0.875 737 Q CB -0.253 28.460 28.738 -0.042 0.000 0.927 737 Q HN 0.659 nan 8.270 nan 0.000 0.450 738 A N 0.400 123.217 122.820 -0.005 0.000 1.929 738 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 738 A C 1.476 179.071 177.584 0.018 0.000 1.176 738 A CA 0.883 52.925 52.037 0.009 0.000 0.628 738 A CB -0.165 18.845 19.000 0.016 0.000 0.816 738 A HN 0.411 nan 8.150 nan 0.000 0.444 739 L N -3.410 117.831 121.223 0.030 0.000 2.848 739 L HA 0.673 5.012 4.340 -0.001 0.000 0.240 739 L C 0.951 177.844 176.870 0.039 0.000 1.232 739 L CA 0.333 55.200 54.840 0.045 0.000 1.031 739 L CB -0.529 41.577 42.059 0.078 0.000 1.338 739 L HN 0.440 nan 8.230 nan 0.000 0.509 740 G N -0.308 108.501 108.800 0.015 0.000 2.136 740 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.242 740 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.242 740 G C 0.113 175.012 174.900 -0.002 0.000 0.989 740 G CA 0.095 45.200 45.100 0.008 0.000 0.682 740 G HN 0.732 nan 8.290 nan 0.000 0.522 741 V N -1.876 118.020 119.914 -0.029 0.000 2.547 741 V HA 0.878 4.997 4.120 -0.001 0.000 0.299 741 V C 0.599 176.632 176.094 -0.102 0.000 1.040 741 V CA -0.338 61.922 62.300 -0.067 0.000 0.913 741 V CB 1.735 33.489 31.823 -0.115 0.000 0.992 741 V HN 0.792 nan 8.190 nan 0.000 0.449 742 S N 2.135 117.786 115.700 -0.082 0.000 2.562 742 S HA 0.488 4.957 4.470 -0.001 0.000 0.275 742 S C 0.893 175.426 174.600 -0.111 0.000 1.281 742 S CA -0.594 57.559 58.200 -0.077 0.000 1.045 742 S CB 0.678 63.853 63.200 -0.042 0.000 0.962 742 S HN 0.625 nan 8.310 nan 0.000 0.503 743 I N 4.279 124.787 120.570 -0.104 0.000 2.315 743 I HA -0.080 4.089 4.170 -0.001 0.000 0.248 743 I C 1.883 177.956 176.117 -0.073 0.000 1.117 743 I CA 1.117 62.349 61.300 -0.113 0.000 1.404 743 I CB -0.373 37.573 38.000 -0.090 0.000 1.071 743 I HN 0.649 nan 8.210 nan 0.000 0.419 744 N N 0.580 119.253 118.700 -0.045 0.000 2.471 744 N HA -0.095 4.644 4.740 -0.001 0.000 0.205 744 N C 0.557 176.060 175.510 -0.011 0.000 1.251 744 N CA 0.419 53.458 53.050 -0.019 0.000 0.843 744 N CB 0.107 38.589 38.487 -0.009 0.000 1.044 744 N HN 0.440 nan 8.380 nan 0.000 0.461 745 D N -0.704 119.679 120.400 -0.027 0.000 2.318 745 D HA 0.171 4.810 4.640 -0.001 0.000 0.294 745 D C 1.587 177.883 176.300 -0.006 0.000 1.091 745 D CA -0.061 53.934 54.000 -0.008 0.000 0.883 745 D CB 0.474 41.266 40.800 -0.014 0.000 1.545 745 D HN -0.024 nan 8.370 nan 0.000 0.513 746 I N 0.901 121.429 120.570 -0.069 0.000 2.286 746 I HA -0.088 4.081 4.170 -0.001 0.000 0.245 746 I C 1.869 178.010 176.117 0.041 0.000 1.104 746 I CA 0.746 62.001 61.300 -0.075 0.000 1.397 746 I CB -0.223 37.584 38.000 -0.320 0.000 1.072 746 I HN 0.004 nan 8.210 nan 0.000 0.417 747 N N 0.232 118.936 118.700 0.006 0.000 2.223 747 N HA -0.120 4.619 4.740 -0.001 0.000 0.185 747 N C 1.817 177.360 175.510 0.054 0.000 1.016 747 N CA 1.743 54.812 53.050 0.032 0.000 0.863 747 N CB -0.453 38.039 38.487 0.009 0.000 0.983 747 N HN 0.371 nan 8.380 nan 0.000 0.429 748 T N -0.011 114.576 114.554 0.054 0.000 2.857 748 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 748 T C 1.968 176.714 174.700 0.076 0.000 1.048 748 T CA 1.272 63.411 62.100 0.065 0.000 1.139 748 T CB -0.411 68.490 68.868 0.056 0.000 0.874 748 T HN 0.240 nan 8.240 nan 0.000 0.455 749 T N 2.354 116.967 114.554 0.099 0.000 2.674 749 T HA -0.001 4.348 4.350 -0.001 0.000 0.265 749 T C 1.880 176.624 174.700 0.073 0.000 1.039 749 T CA 0.844 63.015 62.100 0.119 0.000 1.150 749 T CB -0.476 68.532 68.868 0.234 0.000 0.864 749 T HN 0.100 nan 8.240 nan 0.000 0.427 750 L N 0.946 122.251 121.223 0.137 0.000 2.141 750 L HA 0.141 4.480 4.340 -0.001 0.000 0.209 750 L C 2.387 179.285 176.870 0.048 0.000 1.094 750 L CA 1.591 56.451 54.840 0.034 0.000 0.763 750 L CB -0.885 41.190 42.059 0.027 0.000 0.908 750 L HN 0.303 nan 8.230 nan 0.000 0.437 751 G N -1.429 107.409 108.800 0.063 0.000 2.404 751 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.213 751 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.213 751 G C 1.549 176.512 174.900 0.104 0.000 1.189 751 G CA 0.530 45.678 45.100 0.079 0.000 0.796 751 G HN 0.521 nan 8.290 nan 0.000 0.532 752 A N 0.863 123.732 122.820 0.081 0.000 1.968 752 A HA 0.440 4.760 4.320 -0.001 0.000 0.217 752 A C 2.612 180.211 177.584 0.026 0.000 1.169 752 A CA 1.877 53.958 52.037 0.073 0.000 0.638 752 A CB -0.463 18.577 19.000 0.066 0.000 0.812 752 A HN 0.717 nan 8.150 nan 0.000 0.446 753 A N -2.615 120.160 122.820 -0.076 0.000 2.167 753 A HA 0.133 4.452 4.320 -0.001 0.000 0.214 753 A C 1.569 178.914 177.584 -0.400 0.000 1.151 753 A CA 0.934 52.761 52.037 -0.350 0.000 0.735 753 A CB -0.491 17.864 19.000 -1.075 0.000 0.802 753 A HN 0.725 nan 8.150 nan 0.000 0.467 754 W N -2.476 118.728 121.300 -0.160 0.000 3.097 754 W HA 0.307 4.966 4.660 -0.002 0.000 0.245 754 W C 2.143 178.658 176.519 -0.007 0.000 1.120 754 W CA 0.469 57.764 57.345 -0.084 0.000 1.468 754 W CB -0.047 29.320 29.460 -0.155 0.000 0.851 754 W HN 0.213 nan 8.180 nan 0.000 0.692 755 G N -0.282 108.642 108.800 0.205 0.000 2.651 755 G HA2 0.450 4.409 3.960 -0.001 0.000 0.207 755 G HA3 0.450 4.409 3.960 -0.001 0.000 0.207 755 G C 0.629 175.613 174.900 0.140 0.000 1.131 755 G CA 0.616 45.809 45.100 0.154 0.000 0.816 755 G HN 0.412 nan 8.290 nan 0.000 0.534 756 G N -1.229 107.657 108.800 0.142 0.000 2.650 756 G HA2 0.255 4.214 3.960 -0.001 0.000 0.686 756 G HA3 0.255 4.214 3.960 -0.001 0.000 0.686 756 G C -0.751 174.286 174.900 0.228 0.000 1.205 756 G CA -0.161 45.035 45.100 0.161 0.000 0.781 756 G HN 0.813 nan 8.290 nan 0.000 0.648 757 S N -0.226 115.633 115.700 0.265 0.000 2.557 757 S HA 0.523 4.992 4.470 -0.001 0.000 0.291 757 S C -0.864 173.850 174.600 0.190 0.000 1.116 757 S CA -0.511 57.831 58.200 0.237 0.000 0.992 757 S CB 1.612 64.890 63.200 0.131 0.000 1.028 757 S HN 0.998 nan 8.310 nan 0.000 0.484 758 Y N 4.746 125.047 120.300 0.001 0.000 2.613 758 Y HA 0.255 4.804 4.550 -0.002 0.000 0.354 758 Y C 0.917 176.720 175.900 -0.162 0.000 1.063 758 Y CA 0.063 57.988 58.100 -0.292 0.000 1.384 758 Y CB -0.370 37.967 38.460 -0.204 0.000 1.199 758 Y HN 0.490 nan 8.280 nan 0.000 0.517 759 V N 5.305 125.054 119.914 -0.275 0.000 2.278 759 V HA -0.135 3.984 4.120 -0.001 0.000 0.231 759 V C 0.906 176.906 176.094 -0.155 0.000 1.048 759 V CA 1.613 63.830 62.300 -0.139 0.000 1.015 759 V CB -0.483 31.271 31.823 -0.115 0.000 0.652 759 V HN 0.847 nan 8.190 nan 0.000 0.466 760 N N -0.349 118.198 118.700 -0.255 0.000 3.343 760 N HA 0.327 5.066 4.740 -0.001 0.000 0.330 760 N C -1.925 173.433 175.510 -0.253 0.000 1.560 760 N CA -0.732 52.214 53.050 -0.174 0.000 0.752 760 N CB 1.709 40.171 38.487 -0.042 0.000 1.863 760 N HN 0.251 nan 8.380 nan 0.000 0.636 761 D N -0.575 119.791 120.400 -0.057 0.000 2.269 761 D HA 0.563 5.202 4.640 -0.001 0.000 0.244 761 D C -1.239 175.171 176.300 0.182 0.000 0.992 761 D CA -0.299 53.712 54.000 0.019 0.000 0.894 761 D CB 1.695 42.514 40.800 0.030 0.000 1.248 761 D HN 0.513 nan 8.370 nan 0.000 0.468 762 F N -0.760 119.187 119.950 -0.006 0.000 2.613 762 F HA 0.646 5.172 4.527 -0.002 0.000 0.310 762 F C -1.623 174.203 175.800 0.043 0.000 1.085 762 F CA -1.357 56.679 58.000 0.061 0.000 0.945 762 F CB 0.790 39.899 39.000 0.181 0.000 1.298 762 F HN 0.098 nan 8.300 nan 0.000 0.455 763 I N 2.599 123.046 120.570 -0.206 0.000 2.371 763 I HA 0.206 4.375 4.170 -0.001 0.000 0.290 763 I C -0.743 175.118 176.117 -0.427 0.000 1.028 763 I CA 0.367 61.482 61.300 -0.308 0.000 1.345 763 I CB 0.893 38.839 38.000 -0.089 0.000 1.407 763 I HN 0.620 nan 8.210 nan 0.000 0.501 764 D N 6.146 126.241 120.400 -0.510 0.000 2.440 764 D HA 0.331 4.970 4.640 -0.001 0.000 0.239 764 D C 0.310 176.560 176.300 -0.084 0.000 1.084 764 D CA -0.629 53.216 54.000 -0.258 0.000 0.843 764 D CB 0.552 41.173 40.800 -0.297 0.000 1.097 764 D HN 0.504 nan 8.370 nan 0.000 0.531 765 R N 2.598 123.099 120.500 0.001 0.000 3.460 765 R HA -0.252 4.087 4.340 -0.001 0.000 0.254 765 R C 0.689 176.979 176.300 -0.017 0.000 1.028 765 R CA 1.228 57.339 56.100 0.017 0.000 0.688 765 R CB -2.524 27.809 30.300 0.056 0.000 1.062 765 R HN 0.779 nan 8.270 nan 0.000 0.463 766 G N -0.402 108.371 108.800 -0.045 0.000 2.901 766 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.194 766 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.194 766 G C -0.011 174.841 174.900 -0.079 0.000 1.020 766 G CA -0.129 44.937 45.100 -0.056 0.000 0.787 766 G HN 0.747 nan 8.290 nan 0.000 0.477 767 R N -0.408 120.027 120.500 -0.108 0.000 2.774 767 R HA 0.783 5.122 4.340 -0.001 0.000 0.272 767 R C -0.926 175.266 176.300 -0.180 0.000 1.000 767 R CA -0.640 55.388 56.100 -0.121 0.000 0.906 767 R CB 2.228 32.464 30.300 -0.107 0.000 1.227 767 R HN 0.574 nan 8.270 nan 0.000 0.468 768 V N 2.220 122.045 119.914 -0.148 0.000 2.508 768 V HA 0.295 4.414 4.120 -0.001 0.000 0.281 768 V C -0.713 175.275 176.094 -0.177 0.000 1.041 768 V CA 0.457 62.655 62.300 -0.171 0.000 1.016 768 V CB 0.376 32.149 31.823 -0.082 0.000 0.984 768 V HN 0.825 nan 8.190 nan 0.000 0.478 769 K N 4.600 124.823 120.400 -0.295 0.000 2.409 769 K HA 0.594 4.913 4.320 -0.001 0.000 0.252 769 K C -0.928 175.677 176.600 0.007 0.000 1.036 769 K CA -0.986 55.205 56.287 -0.160 0.000 0.871 769 K CB 2.037 34.422 32.500 -0.191 0.000 1.374 769 K HN 0.620 nan 8.250 nan 0.000 0.459 770 K N 0.459 120.920 120.400 0.102 0.000 2.126 770 K HA 0.413 4.732 4.320 -0.001 0.000 0.257 770 K C -0.790 175.786 176.600 -0.039 0.000 1.007 770 K CA -0.692 55.557 56.287 -0.064 0.000 0.928 770 K CB 1.047 33.493 32.500 -0.089 0.000 1.013 770 K HN 0.092 nan 8.250 nan 0.000 0.473 771 V N 2.930 122.613 119.914 -0.385 0.000 2.325 771 V HA 0.211 4.330 4.120 -0.001 0.000 0.280 771 V C -1.394 174.413 176.094 -0.479 0.000 1.016 771 V CA -0.844 61.235 62.300 -0.367 0.000 0.818 771 V CB 0.046 31.721 31.823 -0.247 0.000 1.019 771 V HN 0.567 nan 8.190 nan 0.000 0.434 772 Y N 2.838 122.984 120.300 -0.257 0.000 2.341 772 Y HA 0.610 5.159 4.550 -0.001 0.000 0.337 772 Y C 0.114 175.842 175.900 -0.286 0.000 1.014 772 Y CA -0.614 57.358 58.100 -0.214 0.000 1.111 772 Y CB 2.106 40.471 38.460 -0.158 0.000 1.194 772 Y HN 0.404 nan 8.280 nan 0.000 0.462 773 V N 6.406 126.303 119.914 -0.027 0.000 2.384 773 V HA 0.359 4.478 4.120 -0.001 0.000 0.287 773 V C -0.247 175.831 176.094 -0.026 0.000 1.020 773 V CA -0.122 62.124 62.300 -0.090 0.000 0.850 773 V CB 1.411 33.209 31.823 -0.043 0.000 0.987 773 V HN 1.092 nan 8.190 nan 0.000 0.436 774 M N 4.919 124.470 119.600 -0.081 0.000 2.274 774 M HA 0.349 4.828 4.480 -0.001 0.000 0.214 774 M C 0.073 176.480 176.300 0.177 0.000 1.526 774 M CA 1.002 56.337 55.300 0.058 0.000 1.043 774 M CB 0.948 33.608 32.600 0.099 0.000 1.505 774 M HN 1.064 nan 8.290 nan 0.000 0.561 775 S N 0.903 116.796 115.700 0.321 0.000 2.941 775 S HA -0.087 4.382 4.470 -0.001 0.000 0.848 775 S C -0.927 174.000 174.600 0.545 0.000 0.920 775 S CA -0.483 57.980 58.200 0.439 0.000 1.411 775 S CB -1.070 62.391 63.200 0.436 0.000 1.008 775 S HN 0.561 nan 8.310 nan 0.000 0.232 776 E N 1.558 122.014 120.200 0.426 0.000 2.467 776 E HA 0.328 4.677 4.350 -0.001 0.000 0.264 776 E C 1.676 178.283 176.600 0.012 0.000 1.020 776 E CA 0.318 56.810 56.400 0.154 0.000 0.945 776 E CB 0.311 30.119 29.700 0.180 0.000 0.942 776 E HN 0.977 nan 8.360 nan 0.000 0.449 777 A N 3.717 126.408 122.820 -0.215 0.000 2.067 777 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 777 A C 1.935 179.360 177.584 -0.265 0.000 1.158 777 A CA 1.261 53.162 52.037 -0.226 0.000 0.661 777 A CB -0.207 18.620 19.000 -0.289 0.000 0.801 777 A HN 0.630 nan 8.150 nan 0.000 0.452 778 K N -1.367 118.790 120.400 -0.406 0.000 2.218 778 K HA -0.174 4.145 4.320 -0.001 0.000 0.205 778 K C -0.005 176.140 176.600 -0.759 0.000 1.046 778 K CA 1.478 57.355 56.287 -0.683 0.000 0.933 778 K CB -0.187 31.686 32.500 -1.046 0.000 0.728 778 K HN 0.673 nan 8.250 nan 0.000 0.454 779 Y N -0.074 120.137 120.300 -0.148 0.000 2.716 779 Y HA 0.233 4.782 4.550 -0.001 0.000 0.260 779 Y C 0.091 175.863 175.900 -0.214 0.000 1.141 779 Y CA -0.627 57.368 58.100 -0.175 0.000 1.168 779 Y CB 0.621 38.897 38.460 -0.307 0.000 1.189 779 Y HN 0.010 nan 8.280 nan 0.000 0.549 780 R N -1.840 118.539 120.500 -0.202 0.000 2.517 780 R HA 0.305 4.644 4.340 -0.001 0.000 0.434 780 R C 0.152 176.407 176.300 -0.075 0.000 0.884 780 R CA -0.058 55.749 56.100 -0.488 0.000 1.090 780 R CB -0.386 29.466 30.300 -0.746 0.000 1.601 780 R HN 0.135 nan 8.270 nan 0.000 0.579 781 M N 0.675 120.266 119.600 -0.015 0.000 2.466 781 M HA 0.240 4.719 4.480 -0.001 0.000 0.265 781 M C -0.133 176.213 176.300 0.077 0.000 1.122 781 M CA 0.736 56.047 55.300 0.019 0.000 1.157 781 M CB 0.074 32.648 32.600 -0.043 0.000 1.352 781 M HN 0.299 nan 8.290 nan 0.000 0.464 782 L N -4.244 117.038 121.223 0.099 0.000 2.466 782 L HA 0.519 4.859 4.340 -0.001 0.000 0.258 782 L C -2.337 174.545 176.870 0.020 0.000 0.973 782 L CA -1.681 53.196 54.840 0.061 0.000 0.826 782 L CB -0.122 41.964 42.059 0.045 0.000 1.372 782 L HN -0.288 nan 8.230 nan 0.000 0.409 783 P HA -0.222 nan 4.420 nan 0.000 0.219 783 P C 0.269 177.454 177.300 -0.190 0.000 1.149 783 P CA 1.746 64.529 63.100 -0.527 0.000 0.835 783 P CB 0.104 31.367 31.700 -0.728 0.000 0.778 784 D N -1.060 119.321 120.400 -0.031 0.000 2.269 784 D HA -0.100 4.539 4.640 -0.001 0.000 0.208 784 D C 1.430 177.781 176.300 0.085 0.000 0.963 784 D CA 0.759 54.777 54.000 0.031 0.000 0.864 784 D CB -0.525 40.299 40.800 0.040 0.000 0.936 784 D HN 0.197 nan 8.370 nan 0.000 0.505 785 D N 0.101 120.597 120.400 0.160 0.000 2.269 785 D HA -0.028 4.611 4.640 -0.001 0.000 0.208 785 D C 2.027 178.615 176.300 0.479 0.000 0.963 785 D CA 0.265 54.425 54.000 0.267 0.000 0.864 785 D CB 0.024 40.998 40.800 0.289 0.000 0.936 785 D HN 0.312 nan 8.370 nan 0.000 0.505 786 I N 1.139 121.947 120.570 0.396 0.000 2.264 786 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 786 I C 2.570 178.767 176.117 0.133 0.000 1.111 786 I CA 1.344 62.764 61.300 0.200 0.000 1.382 786 I CB -0.437 37.399 38.000 -0.273 0.000 1.060 786 I HN 0.015 nan 8.210 nan 0.000 0.418 787 G N 1.539 110.403 108.800 0.107 0.000 2.421 787 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.216 787 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.216 787 G C 0.920 175.818 174.900 -0.002 0.000 1.171 787 G CA 1.105 46.243 45.100 0.063 0.000 0.775 787 G HN 0.613 nan 8.290 nan 0.000 0.543 788 D N -1.450 118.953 120.400 0.005 0.000 2.346 788 D HA 0.068 4.707 4.640 -0.001 0.000 0.248 788 D C -0.168 176.050 176.300 -0.137 0.000 1.173 788 D CA -0.395 53.559 54.000 -0.077 0.000 0.878 788 D CB -0.269 40.518 40.800 -0.021 0.000 0.919 788 D HN 0.437 nan 8.370 nan 0.000 0.513 789 W N 0.497 121.810 121.300 0.023 0.000 2.391 789 W HA 0.448 5.107 4.660 -0.002 0.000 0.311 789 W C -0.575 176.035 176.519 0.152 0.000 1.087 789 W CA -0.949 56.511 57.345 0.192 0.000 1.209 789 W CB 0.762 30.386 29.460 0.274 0.000 1.273 789 W HN -0.133 nan 8.180 nan 0.000 0.482 790 Y N 2.400 122.975 120.300 0.457 0.000 2.352 790 Y HA 0.583 5.132 4.550 -0.001 0.000 0.339 790 Y C -0.009 176.073 175.900 0.302 0.000 0.992 790 Y CA -1.098 57.180 58.100 0.296 0.000 1.100 790 Y CB 1.355 39.905 38.460 0.150 0.000 1.192 790 Y HN -0.044 nan 8.280 nan 0.000 0.458 791 V N 4.233 124.360 119.914 0.354 0.000 2.555 791 V HA 0.452 4.572 4.120 -0.001 0.000 0.302 791 V C -0.302 175.916 176.094 0.208 0.000 1.038 791 V CA -1.212 61.246 62.300 0.263 0.000 0.887 791 V CB 1.805 33.746 31.823 0.197 0.000 0.991 791 V HN 0.688 nan 8.190 nan 0.000 0.434 792 R N 2.705 123.300 120.500 0.159 0.000 2.390 792 R HA 0.679 5.018 4.340 -0.001 0.000 0.291 792 R C 0.081 176.433 176.300 0.086 0.000 1.070 792 R CA 0.096 56.268 56.100 0.119 0.000 1.014 792 R CB 1.082 31.442 30.300 0.101 0.000 1.007 792 R HN 0.907 nan 8.270 nan 0.000 0.466 793 A N 2.821 125.687 122.820 0.077 0.000 2.298 793 A HA 0.565 4.884 4.320 -0.001 0.000 0.302 793 A C 0.751 178.359 177.584 0.039 0.000 1.177 793 A CA 0.030 52.099 52.037 0.054 0.000 0.912 793 A CB 0.681 19.717 19.000 0.061 0.000 1.331 793 A HN 0.897 nan 8.150 nan 0.000 0.504 794 A N -0.864 121.973 122.820 0.027 0.000 2.066 794 A HA -0.025 4.295 4.320 -0.001 0.000 0.218 794 A C 1.265 178.862 177.584 0.022 0.000 1.157 794 A CA 1.731 53.780 52.037 0.021 0.000 0.670 794 A CB -0.582 18.425 19.000 0.013 0.000 0.804 794 A HN 0.724 nan 8.150 nan 0.000 0.453 795 D N -0.484 119.932 120.400 0.026 0.000 2.144 795 D HA 0.074 4.713 4.640 -0.001 0.000 0.200 795 D C 1.415 177.731 176.300 0.026 0.000 0.978 795 D CA 1.574 55.589 54.000 0.025 0.000 0.833 795 D CB -0.271 40.545 40.800 0.027 0.000 0.961 795 D HN 0.700 nan 8.370 nan 0.000 0.470 796 G N 0.607 109.426 108.800 0.033 0.000 2.145 796 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.145 796 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.145 796 G C -0.172 174.750 174.900 0.038 0.000 1.017 796 G CA 0.057 45.177 45.100 0.034 0.000 0.682 796 G HN 0.414 nan 8.290 nan 0.000 0.504 797 Q N -0.594 119.234 119.800 0.046 0.000 2.605 797 Q HA 0.880 5.219 4.340 -0.001 0.000 0.296 797 Q C -0.266 175.783 176.000 0.082 0.000 1.056 797 Q CA -1.305 54.528 55.803 0.050 0.000 0.778 797 Q CB 0.697 29.457 28.738 0.037 0.000 1.497 797 Q HN 0.055 nan 8.270 nan 0.000 0.443 798 M N 1.288 120.946 119.600 0.097 0.000 2.080 798 M HA 0.422 4.902 4.480 -0.001 0.000 0.350 798 M C -1.010 175.432 176.300 0.237 0.000 1.173 798 M CA -0.728 54.683 55.300 0.184 0.000 1.052 798 M CB 0.860 33.568 32.600 0.180 0.000 1.577 798 M HN 0.528 nan 8.290 nan 0.000 0.455 799 V N 7.285 127.323 119.914 0.207 0.000 2.370 799 V HA 0.420 4.539 4.120 -0.001 0.000 0.279 799 V C -1.818 174.293 176.094 0.029 0.000 1.029 799 V CA -1.250 61.128 62.300 0.130 0.000 0.870 799 V CB 1.417 33.326 31.823 0.145 0.000 0.984 799 V HN 0.631 nan 8.190 nan 0.000 0.451 800 P HA 0.328 nan 4.420 nan 0.000 0.279 800 P C -0.169 176.727 177.300 -0.674 0.000 1.282 800 P CA -0.475 62.366 63.100 -0.430 0.000 0.788 800 P CB 0.870 32.170 31.700 -0.667 0.000 1.139 801 F N -0.511 119.118 119.950 -0.535 0.000 2.266 801 F HA 0.064 4.590 4.527 -0.001 0.000 0.287 801 F C 2.231 177.722 175.800 -0.515 0.000 1.255 801 F CA 1.765 59.394 58.000 -0.619 0.000 1.201 801 F CB -0.308 38.611 39.000 -0.135 0.000 1.450 801 F HN 0.601 nan 8.300 nan 0.000 0.510 802 S N -1.089 114.558 115.700 -0.089 0.000 2.194 802 S HA -0.394 4.075 4.470 -0.001 0.000 0.225 802 S C 1.197 175.713 174.600 -0.141 0.000 1.176 802 S CA 0.945 59.106 58.200 -0.064 0.000 1.694 802 S CB -2.253 60.932 63.200 -0.024 0.000 2.249 802 S HN 1.149 nan 8.310 nan 0.000 0.601 803 A N 1.327 123.960 122.820 -0.312 0.000 2.066 803 A HA 0.473 4.792 4.320 -0.001 0.000 0.218 803 A C 1.796 179.300 177.584 -0.134 0.000 1.157 803 A CA 1.303 53.200 52.037 -0.233 0.000 0.670 803 A CB -0.765 18.075 19.000 -0.267 0.000 0.804 803 A HN 1.637 nan 8.150 nan 0.000 0.453 804 F N -1.956 117.972 119.950 -0.036 0.000 2.798 804 F HA 0.373 4.899 4.527 -0.002 0.000 0.328 804 F C 0.496 176.281 175.800 -0.025 0.000 1.098 804 F CA -0.071 57.899 58.000 -0.049 0.000 1.172 804 F CB 0.017 38.959 39.000 -0.096 0.000 1.072 804 F HN 0.103 nan 8.300 nan 0.000 0.555 805 S N 0.238 116.122 115.700 0.307 0.000 2.607 805 S HA 0.687 5.156 4.470 -0.001 0.000 0.303 805 S C -0.592 174.093 174.600 0.142 0.000 1.086 805 S CA -0.621 57.759 58.200 0.300 0.000 0.995 805 S CB 1.953 65.437 63.200 0.474 0.000 1.084 805 S HN 0.189 nan 8.310 nan 0.000 0.507 806 S N 0.512 116.271 115.700 0.098 0.000 2.500 806 S HA 0.684 5.153 4.470 -0.001 0.000 0.301 806 S C -0.986 173.607 174.600 -0.012 0.000 1.092 806 S CA -0.597 57.623 58.200 0.034 0.000 1.030 806 S CB 1.176 64.378 63.200 0.004 0.000 1.031 806 S HN 0.737 nan 8.310 nan 0.000 0.483 807 S N 4.032 119.717 115.700 -0.025 0.000 2.474 807 S HA 0.577 5.046 4.470 -0.001 0.000 0.321 807 S C -0.594 173.808 174.600 -0.331 0.000 1.080 807 S CA -0.764 57.373 58.200 -0.105 0.000 1.106 807 S CB 0.677 63.998 63.200 0.202 0.000 0.984 807 S HN 0.661 nan 8.310 nan 0.000 0.464 808 R N 1.441 121.498 120.500 -0.738 0.000 2.621 808 R HA 0.316 4.655 4.340 -0.001 0.000 0.284 808 R C -1.599 174.171 176.300 -0.884 0.000 0.998 808 R CA -0.587 55.169 56.100 -0.572 0.000 0.895 808 R CB 1.735 31.850 30.300 -0.309 0.000 1.195 808 R HN 0.523 nan 8.270 nan 0.000 0.450 809 W N 2.056 123.067 121.300 -0.482 0.000 2.316 809 W HA 0.292 4.952 4.660 -0.001 0.000 0.311 809 W C 0.457 176.810 176.519 -0.277 0.000 1.217 809 W CA 0.267 57.404 57.345 -0.348 0.000 1.199 809 W CB 1.100 30.454 29.460 -0.176 0.000 1.202 809 W HN 0.376 nan 8.180 nan 0.000 0.528 810 E N 2.800 123.009 120.200 0.015 0.000 2.343 810 E HA 0.198 4.547 4.350 -0.001 0.000 0.278 810 E C -1.678 174.922 176.600 -0.000 0.000 0.910 810 E CA -0.887 55.494 56.400 -0.032 0.000 0.757 810 E CB 1.369 31.039 29.700 -0.050 0.000 1.218 810 E HN 0.393 nan 8.360 nan 0.000 0.435 811 Y N 0.767 121.120 120.300 0.088 0.000 2.359 811 Y HA 0.490 5.039 4.550 -0.002 0.000 0.330 811 Y C 0.927 176.874 175.900 0.078 0.000 1.143 811 Y CA 0.727 58.878 58.100 0.086 0.000 1.318 811 Y CB 1.578 40.071 38.460 0.054 0.000 1.234 811 Y HN 0.553 nan 8.280 nan 0.000 0.522 812 G N 0.908 109.890 108.800 0.304 0.000 2.677 812 G HA2 0.354 4.313 3.960 -0.001 0.000 0.291 812 G HA3 0.354 4.313 3.960 -0.001 0.000 0.291 812 G C -1.721 173.305 174.900 0.210 0.000 1.435 812 G CA -0.868 44.360 45.100 0.214 0.000 0.826 812 G HN 0.474 nan 8.290 nan 0.000 0.491 813 S N 0.346 116.159 115.700 0.188 0.000 2.513 813 S HA 0.569 5.038 4.470 -0.001 0.000 0.276 813 S C -1.017 173.629 174.600 0.076 0.000 1.254 813 S CA -1.473 56.814 58.200 0.146 0.000 1.053 813 S CB 1.566 64.824 63.200 0.096 0.000 0.958 813 S HN 0.376 nan 8.310 nan 0.000 0.491 814 P HA 0.068 nan 4.420 nan 0.000 0.235 814 P C 0.001 177.320 177.300 0.032 0.000 1.177 814 P CA 0.390 63.526 63.100 0.058 0.000 0.785 814 P CB 0.173 31.918 31.700 0.075 0.000 0.885 815 R N 0.893 121.405 120.500 0.020 0.000 2.625 815 R HA 0.344 4.683 4.340 -0.001 0.000 0.286 815 R C -1.322 174.958 176.300 -0.034 0.000 1.406 815 R CA -0.530 55.572 56.100 0.002 0.000 1.052 815 R CB 0.170 30.483 30.300 0.020 0.000 1.203 815 R HN 0.042 nan 8.270 nan 0.000 0.502 816 L N 4.248 125.429 121.223 -0.070 0.000 2.326 816 L HA 0.409 4.749 4.340 -0.001 0.000 0.278 816 L C 0.416 177.244 176.870 -0.069 0.000 1.092 816 L CA -0.266 54.497 54.840 -0.127 0.000 0.810 816 L CB 1.375 43.332 42.059 -0.169 0.000 1.153 816 L HN 0.551 nan 8.230 nan 0.000 0.439 817 E N 3.234 123.395 120.200 -0.064 0.000 2.288 817 E HA 0.721 5.070 4.350 -0.001 0.000 0.268 817 E C -1.334 175.256 176.600 -0.017 0.000 0.885 817 E CA -1.187 55.197 56.400 -0.025 0.000 0.767 817 E CB 2.125 31.818 29.700 -0.011 0.000 1.220 817 E HN 0.459 nan 8.360 nan 0.000 0.427 818 R N 1.670 122.174 120.500 0.007 0.000 2.575 818 R HA 0.299 4.638 4.340 -0.001 0.000 0.293 818 R C -1.663 174.677 176.300 0.066 0.000 0.983 818 R CA -0.973 55.139 56.100 0.020 0.000 0.887 818 R CB 1.720 32.017 30.300 -0.006 0.000 1.184 818 R HN 0.609 nan 8.270 nan 0.000 0.445 819 Y N 3.469 123.729 120.300 -0.067 0.000 2.369 819 Y HA 0.196 4.745 4.550 -0.001 0.000 0.337 819 Y C -0.102 175.766 175.900 -0.054 0.000 0.961 819 Y CA -0.578 57.479 58.100 -0.071 0.000 1.186 819 Y CB 0.653 39.040 38.460 -0.121 0.000 1.139 819 Y HN 0.785 nan 8.280 nan 0.000 0.494 820 N N 4.620 123.061 118.700 -0.432 0.000 2.756 820 N HA -0.215 4.524 4.740 -0.001 0.000 0.248 820 N C 0.784 176.197 175.510 -0.162 0.000 1.062 820 N CA 0.662 53.496 53.050 -0.360 0.000 0.696 820 N CB -1.107 37.089 38.487 -0.486 0.000 0.946 820 N HN 1.229 nan 8.380 nan 0.000 0.548 821 G N -0.865 107.871 108.800 -0.107 0.000 2.184 821 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.264 821 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.264 821 G C 0.009 174.885 174.900 -0.040 0.000 0.975 821 G CA 0.783 45.846 45.100 -0.062 0.000 0.642 821 G HN 0.399 nan 8.290 nan 0.000 0.536 822 L N 0.623 121.826 121.223 -0.033 0.000 2.346 822 L HA 0.516 4.855 4.340 -0.001 0.000 0.274 822 L C -2.343 174.528 176.870 0.002 0.000 1.007 822 L CA -2.618 52.215 54.840 -0.012 0.000 0.818 822 L CB 2.297 44.352 42.059 -0.007 0.000 1.284 822 L HN -0.212 nan 8.230 nan 0.000 0.424 823 P HA 0.048 nan 4.420 nan 0.000 0.265 823 P C -0.846 176.456 177.300 0.003 0.000 1.222 823 P CA 0.139 63.238 63.100 -0.003 0.000 0.767 823 P CB 0.846 32.546 31.700 0.001 0.000 0.801 824 S N 3.933 119.633 115.700 0.001 0.000 2.668 824 S HA 0.538 5.007 4.470 -0.001 0.000 0.277 824 S C -0.797 173.781 174.600 -0.037 0.000 1.170 824 S CA -0.666 57.522 58.200 -0.020 0.000 0.994 824 S CB 0.257 63.457 63.200 -0.001 0.000 1.051 824 S HN 0.204 nan 8.310 nan 0.000 0.484 825 M N 3.395 122.969 119.600 -0.042 0.000 2.277 825 M HA 0.388 4.867 4.480 -0.001 0.000 0.350 825 M C 0.134 176.383 176.300 -0.084 0.000 1.180 825 M CA -0.227 55.053 55.300 -0.033 0.000 1.103 825 M CB 1.211 33.822 32.600 0.018 0.000 1.577 825 M HN 0.662 nan 8.290 nan 0.000 0.459 826 E N 2.716 122.874 120.200 -0.070 0.000 2.231 826 E HA 0.502 4.851 4.350 -0.001 0.000 0.277 826 E C -1.623 174.962 176.600 -0.024 0.000 0.999 826 E CA -0.599 55.743 56.400 -0.097 0.000 0.827 826 E CB 1.062 30.708 29.700 -0.090 0.000 1.101 826 E HN 0.470 nan 8.360 nan 0.000 0.393 827 I N 4.466 125.047 120.570 0.017 0.000 2.466 827 I HA 0.281 4.450 4.170 -0.001 0.000 0.289 827 I C -0.777 175.405 176.117 0.109 0.000 1.026 827 I CA -0.378 60.984 61.300 0.103 0.000 1.078 827 I CB 1.715 39.853 38.000 0.231 0.000 1.249 827 I HN 0.457 nan 8.210 nan 0.000 0.429 828 L N 5.831 127.052 121.223 -0.003 0.000 2.307 828 L HA 0.936 5.275 4.340 -0.001 0.000 0.284 828 L C 0.191 176.872 176.870 -0.315 0.000 1.023 828 L CA 0.211 54.969 54.840 -0.137 0.000 0.810 828 L CB 1.181 43.155 42.059 -0.142 0.000 1.231 828 L HN 0.768 nan 8.230 nan 0.000 0.423 829 G N 2.962 111.251 108.800 -0.852 0.000 3.135 829 G HA2 0.545 4.504 3.960 -0.001 0.000 0.278 829 G HA3 0.545 4.504 3.960 -0.001 0.000 0.278 829 G C -1.575 172.740 174.900 -0.976 0.000 1.302 829 G CA -0.305 44.156 45.100 -1.064 0.000 0.880 829 G HN 0.427 nan 8.290 nan 0.000 0.574 830 Q N -2.136 117.331 119.800 -0.555 0.000 2.892 830 Q HA 0.675 5.014 4.340 -0.001 0.000 0.307 830 Q C 0.832 176.899 176.000 0.111 0.000 1.039 830 Q CA -0.240 55.462 55.803 -0.168 0.000 0.792 830 Q CB 1.771 30.462 28.738 -0.078 0.000 1.504 830 Q HN 0.583 nan 8.270 nan 0.000 0.487 831 A N -0.074 122.797 122.820 0.085 0.000 1.920 831 A HA 0.661 4.981 4.320 -0.001 0.000 0.209 831 A C 0.054 177.683 177.584 0.076 0.000 1.229 831 A CA 1.206 53.309 52.037 0.110 0.000 0.671 831 A CB 0.169 19.209 19.000 0.068 0.000 0.886 831 A HN 1.098 nan 8.150 nan 0.000 0.461 832 A N -2.473 120.375 122.820 0.047 0.000 2.405 832 A HA 0.328 4.647 4.320 -0.001 0.000 0.665 832 A C -2.420 175.174 177.584 0.017 0.000 0.185 832 A CA -0.119 51.939 52.037 0.034 0.000 0.131 832 A CB -1.270 17.751 19.000 0.036 0.000 3.838 832 A HN 0.036 nan 8.150 nan 0.000 0.535 833 P HA 0.077 nan 4.420 nan 0.000 0.223 833 P C 1.489 178.786 177.300 -0.004 0.000 1.151 833 P CA 1.938 65.038 63.100 0.001 0.000 0.787 833 P CB 0.198 31.898 31.700 0.000 0.000 0.788 834 G N 0.246 109.046 108.800 0.001 0.000 2.724 834 G HA2 0.019 3.978 3.960 -0.001 0.000 0.217 834 G HA3 0.019 3.978 3.960 -0.001 0.000 0.217 834 G C 0.273 175.170 174.900 -0.005 0.000 1.251 834 G CA -0.057 45.041 45.100 -0.004 0.000 0.867 834 G HN 0.296 nan 8.290 nan 0.000 0.590 835 K N 0.162 120.563 120.400 0.003 0.000 2.090 835 K HA 0.648 4.968 4.320 -0.001 0.000 0.250 835 K C -1.212 175.393 176.600 0.007 0.000 1.004 835 K CA -0.295 55.992 56.287 0.000 0.000 0.919 835 K CB 1.540 34.041 32.500 0.001 0.000 1.045 835 K HN 0.085 nan 8.250 nan 0.000 0.471 836 S N 0.656 116.358 115.700 0.003 0.000 2.571 836 S HA 0.264 4.733 4.470 -0.001 0.000 0.284 836 S C -0.177 174.431 174.600 0.012 0.000 1.128 836 S CA -0.412 57.797 58.200 0.015 0.000 0.970 836 S CB 1.684 64.891 63.200 0.011 0.000 1.039 836 S HN 0.922 nan 8.310 nan 0.000 0.485 837 T N 2.700 117.270 114.554 0.026 0.000 12.818 837 T HA -0.355 3.994 4.350 -0.001 0.000 0.419 837 T C 1.754 176.412 174.700 -0.069 0.000 1.441 837 T CA 2.211 64.308 62.100 -0.005 0.000 2.373 837 T CB -1.689 67.196 68.868 0.030 0.000 2.831 837 T HN 1.012 nan 8.240 nan 0.000 0.727 838 G N 1.324 110.099 108.800 -0.043 0.000 2.550 838 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.222 838 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.222 838 G C 1.220 176.071 174.900 -0.080 0.000 1.113 838 G CA 2.129 47.194 45.100 -0.057 0.000 0.748 838 G HN 0.769 nan 8.290 nan 0.000 0.585 839 E N -0.457 119.701 120.200 -0.069 0.000 2.364 839 E HA 0.419 4.768 4.350 -0.001 0.000 0.203 839 E C 2.506 179.049 176.600 -0.094 0.000 0.888 839 E CA 0.436 56.792 56.400 -0.073 0.000 0.989 839 E CB -0.222 29.454 29.700 -0.040 0.000 0.985 839 E HN 0.254 nan 8.360 nan 0.000 0.499 840 A N 0.888 123.665 122.820 -0.071 0.000 1.972 840 A HA -0.118 4.201 4.320 -0.001 0.000 0.219 840 A C 2.099 179.553 177.584 -0.216 0.000 1.169 840 A CA 1.399 53.405 52.037 -0.052 0.000 0.635 840 A CB -0.365 18.679 19.000 0.073 0.000 0.810 840 A HN 0.255 nan 8.150 nan 0.000 0.446 841 M N -1.620 117.787 119.600 -0.321 0.000 2.357 841 M HA 0.006 4.485 4.480 -0.001 0.000 0.266 841 M C 1.974 178.037 176.300 -0.394 0.000 1.095 841 M CA 1.544 56.492 55.300 -0.588 0.000 1.156 841 M CB 0.172 32.306 32.600 -0.776 0.000 1.365 841 M HN 0.397 nan 8.290 nan 0.000 0.447 842 E N 1.024 121.061 120.200 -0.271 0.000 2.077 842 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 842 E C 1.874 178.364 176.600 -0.184 0.000 0.989 842 E CA 1.734 58.015 56.400 -0.198 0.000 0.800 842 E CB -0.621 28.996 29.700 -0.138 0.000 0.746 842 E HN 0.667 nan 8.360 nan 0.000 0.452 843 L N -1.398 119.714 121.223 -0.185 0.000 2.156 843 L HA 0.074 4.413 4.340 -0.001 0.000 0.208 843 L C 2.270 178.989 176.870 -0.251 0.000 1.095 843 L CA 1.351 56.072 54.840 -0.198 0.000 0.770 843 L CB -0.324 41.617 42.059 -0.198 0.000 0.914 843 L HN 0.124 nan 8.230 nan 0.000 0.439 844 M N 0.252 119.681 119.600 -0.286 0.000 2.394 844 M HA -0.068 4.411 4.480 -0.001 0.000 0.264 844 M C 2.079 178.157 176.300 -0.369 0.000 1.073 844 M CA 1.374 56.444 55.300 -0.384 0.000 1.111 844 M CB -0.346 31.970 32.600 -0.473 0.000 1.401 844 M HN 0.273 nan 8.290 nan 0.000 0.448 845 E N 0.205 120.265 120.200 -0.233 0.000 2.077 845 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 845 E C 1.505 177.891 176.600 -0.356 0.000 0.989 845 E CA 1.521 57.724 56.400 -0.330 0.000 0.800 845 E CB -0.182 29.317 29.700 -0.334 0.000 0.746 845 E HN 0.726 nan 8.360 nan 0.000 0.452 846 Q N -0.398 119.271 119.800 -0.219 0.000 2.219 846 Q HA 0.208 4.547 4.340 -0.001 0.000 0.209 846 Q C 1.688 177.628 176.000 -0.101 0.000 0.854 846 Q CA 0.091 55.825 55.803 -0.115 0.000 0.960 846 Q CB -0.203 28.490 28.738 -0.075 0.000 1.116 846 Q HN 0.147 nan 8.270 nan 0.000 0.500 847 L N -0.178 120.945 121.223 -0.167 0.000 2.217 847 L HA 0.103 4.442 4.340 -0.001 0.000 0.211 847 L C 2.112 178.926 176.870 -0.093 0.000 1.107 847 L CA 1.133 55.880 54.840 -0.154 0.000 0.783 847 L CB -0.286 41.633 42.059 -0.233 0.000 0.919 847 L HN 0.439 nan 8.230 nan 0.000 0.442 848 A N -1.480 121.298 122.820 -0.069 0.000 2.030 848 A HA -0.087 4.233 4.320 -0.001 0.000 0.215 848 A C 2.426 180.085 177.584 0.125 0.000 1.164 848 A CA 1.195 53.277 52.037 0.076 0.000 0.697 848 A CB -0.212 18.949 19.000 0.268 0.000 0.827 848 A HN 0.257 nan 8.150 nan 0.000 0.457 849 S N -0.570 115.200 115.700 0.117 0.000 2.489 849 S HA 0.013 4.483 4.470 -0.001 0.000 0.228 849 S C 1.228 175.869 174.600 0.068 0.000 0.995 849 S CA 0.703 58.983 58.200 0.134 0.000 0.934 849 S CB -0.235 63.056 63.200 0.151 0.000 0.771 849 S HN 0.507 nan 8.310 nan 0.000 0.522 850 K N 1.273 121.693 120.400 0.033 0.000 2.811 850 K HA 0.265 4.584 4.320 -0.001 0.000 0.217 850 K C -0.831 175.780 176.600 0.018 0.000 1.115 850 K CA -0.196 56.102 56.287 0.019 0.000 1.179 850 K CB 0.140 32.642 32.500 0.003 0.000 0.994 850 K HN 0.345 nan 8.250 nan 0.000 0.464 851 L N -4.039 117.201 121.223 0.028 0.000 2.502 851 L HA 0.663 5.002 4.340 -0.001 0.000 0.253 851 L C -2.884 174.002 176.870 0.027 0.000 1.070 851 L CA -2.576 52.279 54.840 0.024 0.000 0.871 851 L CB -0.445 41.627 42.059 0.022 0.000 1.487 851 L HN -0.201 nan 8.230 nan 0.000 0.408 852 P HA -0.013 nan 4.420 nan 0.000 0.269 852 P C -0.551 176.760 177.300 0.018 0.000 1.153 852 P CA 0.488 63.598 63.100 0.016 0.000 0.754 852 P CB -0.140 31.567 31.700 0.012 0.000 0.758 853 T N 0.923 115.485 114.554 0.013 0.000 2.930 853 T HA 0.405 4.754 4.350 -0.001 0.000 0.306 853 T C 0.952 175.655 174.700 0.006 0.000 1.045 853 T CA 0.566 62.673 62.100 0.010 0.000 1.134 853 T CB 0.291 69.163 68.868 0.007 0.000 0.961 853 T HN 0.874 nan 8.240 nan 0.000 0.545 854 G N 1.086 109.887 108.800 0.001 0.000 2.417 854 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.291 854 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.291 854 G C 0.236 175.132 174.900 -0.007 0.000 1.094 854 G CA 0.007 45.103 45.100 -0.007 0.000 1.146 854 G HN 0.679 nan 8.290 nan 0.000 0.519 855 V N -0.001 119.909 119.914 -0.008 0.000 3.141 855 V HA 0.668 4.787 4.120 -0.001 0.000 0.225 855 V C 2.099 178.177 176.094 -0.026 0.000 1.352 855 V CA 1.904 64.204 62.300 0.001 0.000 1.316 855 V CB -0.057 31.787 31.823 0.036 0.000 1.126 855 V HN 2.422 nan 8.190 nan 0.000 0.493 856 G N 0.796 109.569 108.800 -0.044 0.000 2.806 856 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.236 856 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.236 856 G C -0.737 174.116 174.900 -0.078 0.000 1.387 856 G CA 0.436 45.438 45.100 -0.165 0.000 0.884 856 G HN 1.394 nan 8.290 nan 0.000 0.560 857 Y N -2.011 118.228 120.300 -0.103 0.000 2.552 857 Y HA 0.840 5.389 4.550 -0.001 0.000 0.337 857 Y C -0.751 174.931 175.900 -0.364 0.000 1.094 857 Y CA -1.191 56.743 58.100 -0.276 0.000 1.028 857 Y CB 1.853 40.343 38.460 0.051 0.000 1.321 857 Y HN 0.774 nan 8.280 nan 0.000 0.456 858 D N 0.952 120.997 120.400 -0.591 0.000 2.623 858 D HA 0.429 5.068 4.640 -0.001 0.000 0.241 858 D C -2.171 173.617 176.300 -0.855 0.000 1.241 858 D CA -0.294 53.408 54.000 -0.497 0.000 0.788 858 D CB 2.221 42.753 40.800 -0.447 0.000 1.413 858 D HN 0.646 nan 8.370 nan 0.000 0.429 859 W N 0.129 121.258 121.300 -0.285 0.000 2.936 859 W HA 0.407 5.066 4.660 -0.002 0.000 0.338 859 W C 0.833 177.154 176.519 -0.329 0.000 1.121 859 W CA -0.515 56.668 57.345 -0.270 0.000 1.209 859 W CB 1.750 31.116 29.460 -0.156 0.000 1.420 859 W HN 0.336 nan 8.180 nan 0.000 0.516 860 T N -3.341 111.142 114.554 -0.119 0.000 3.154 860 T HA 0.176 4.525 4.350 -0.001 0.000 0.258 860 T C 1.590 176.220 174.700 -0.116 0.000 0.899 860 T CA 0.460 62.375 62.100 -0.309 0.000 0.908 860 T CB -0.395 68.096 68.868 -0.628 0.000 1.260 860 T HN 0.594 nan 8.240 nan 0.000 0.521 861 G N 3.511 112.287 108.800 -0.041 0.000 2.896 861 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.225 861 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.225 861 G C 0.619 175.515 174.900 -0.006 0.000 1.265 861 G CA 1.654 46.746 45.100 -0.013 0.000 0.778 861 G HN 0.854 nan 8.290 nan 0.000 0.714 862 M N -2.231 117.357 119.600 -0.020 0.000 7.082 862 M HA -0.210 4.269 4.480 -0.001 0.000 0.157 862 M C 0.644 176.838 176.300 -0.176 0.000 0.651 862 M CA 1.113 56.380 55.300 -0.055 0.000 1.293 862 M CB -1.468 31.144 32.600 0.021 0.000 0.572 862 M HN 1.395 nan 8.290 nan 0.000 0.190 863 S N 3.048 118.453 115.700 -0.491 0.000 3.477 863 S HA -0.260 4.209 4.470 -0.001 0.000 0.357 863 S C 0.129 174.130 174.600 -0.999 0.000 1.083 863 S CA 2.654 60.148 58.200 -1.177 0.000 1.042 863 S CB -1.873 60.991 63.200 -0.560 0.000 0.911 863 S HN 1.677 nan 8.310 nan 0.000 0.490 864 Y N -3.622 116.747 120.300 0.115 0.000 2.834 864 Y HA -0.361 4.188 4.550 -0.001 0.000 0.470 864 Y C 0.417 176.412 175.900 0.158 0.000 1.173 864 Y CA 1.052 59.236 58.100 0.141 0.000 2.645 864 Y CB -1.546 36.990 38.460 0.126 0.000 1.180 864 Y HN 0.411 nan 8.280 nan 0.000 0.618 865 Q N 3.196 123.208 119.800 0.354 0.000 2.257 865 Q HA 0.428 4.767 4.340 -0.001 0.000 0.255 865 Q C -0.480 175.772 176.000 0.420 0.000 0.920 865 Q CA -0.438 55.646 55.803 0.468 0.000 0.927 865 Q CB 1.660 30.601 28.738 0.338 0.000 1.229 865 Q HN 0.316 nan 8.270 nan 0.000 0.433 866 E N 2.020 122.473 120.200 0.421 0.000 3.702 866 E HA -0.274 4.076 4.350 -0.001 0.000 0.159 866 E C -1.168 175.409 176.600 -0.038 0.000 1.963 866 E CA 1.364 57.725 56.400 -0.065 0.000 0.824 866 E CB -0.434 29.280 29.700 0.025 0.000 1.065 866 E HN 0.859 nan 8.360 nan 0.000 0.346 867 R N 2.091 122.477 120.500 -0.191 0.000 3.426 867 R HA 0.731 5.070 4.340 -0.001 0.000 0.102 867 R C 0.130 176.378 176.300 -0.086 0.000 0.581 867 R CA -0.434 55.650 56.100 -0.025 0.000 0.349 867 R CB 0.094 30.477 30.300 0.139 0.000 0.955 867 R HN 0.332 nan 8.270 nan 0.000 0.322 868 L N -1.306 119.916 121.223 -0.003 0.000 7.855 868 L HA -0.328 4.011 4.340 -0.001 0.000 0.097 868 L C 1.093 177.884 176.870 -0.131 0.000 1.202 868 L CA 0.694 55.465 54.840 -0.115 0.000 1.379 868 L CB -1.567 40.485 42.059 -0.012 0.000 2.900 868 L HN 0.831 nan 8.230 nan 0.000 1.196 869 S N -0.512 115.105 115.700 -0.139 0.000 2.371 869 S HA 0.105 4.574 4.470 -0.001 0.000 0.221 869 S C 0.810 175.374 174.600 -0.061 0.000 1.036 869 S CA 0.855 59.007 58.200 -0.079 0.000 0.965 869 S CB -0.325 62.834 63.200 -0.068 0.000 0.845 869 S HN 0.891 nan 8.310 nan 0.000 0.475 870 G N 0.757 109.520 108.800 -0.062 0.000 2.380 870 G HA2 0.232 4.191 3.960 -0.001 0.000 0.242 870 G HA3 0.232 4.191 3.960 -0.001 0.000 0.242 870 G C 0.267 175.112 174.900 -0.091 0.000 1.298 870 G CA -0.003 45.061 45.100 -0.060 0.000 0.878 870 G HN 0.644 nan 8.290 nan 0.000 0.542 871 N N -0.722 117.938 118.700 -0.067 0.000 2.929 871 N HA -0.224 4.515 4.740 -0.001 0.000 0.234 871 N C 0.895 176.368 175.510 -0.061 0.000 0.908 871 N CA 1.766 54.775 53.050 -0.068 0.000 0.993 871 N CB -0.291 38.132 38.487 -0.106 0.000 1.075 871 N HN 0.637 nan 8.380 nan 0.000 0.603 872 Q N -0.158 119.597 119.800 -0.076 0.000 2.366 872 Q HA 0.631 4.970 4.340 -0.001 0.000 0.356 872 Q C -0.069 175.836 176.000 -0.159 0.000 0.866 872 Q CA 0.414 56.141 55.803 -0.127 0.000 1.109 872 Q CB 0.838 29.500 28.738 -0.127 0.000 1.361 872 Q HN 0.311 nan 8.270 nan 0.000 0.404 873 A N -0.515 122.291 122.820 -0.024 0.000 2.249 873 A HA 0.282 4.601 4.320 -0.001 0.000 0.157 873 A C -1.778 175.952 177.584 0.244 0.000 1.879 873 A CA 0.278 52.401 52.037 0.143 0.000 1.424 873 A CB 0.013 19.083 19.000 0.117 0.000 1.616 873 A HN 0.419 nan 8.150 nan 0.000 0.377 874 P HA 0.136 nan 4.420 nan 0.000 0.216 874 P C 1.333 178.692 177.300 0.097 0.000 1.151 874 P CA 1.571 64.728 63.100 0.096 0.000 0.863 874 P CB 0.083 31.805 31.700 0.035 0.000 0.790 875 S N -0.242 115.488 115.700 0.050 0.000 2.481 875 S HA 0.048 4.517 4.470 -0.001 0.000 0.231 875 S C 1.839 176.457 174.600 0.030 0.000 0.996 875 S CA 0.538 58.759 58.200 0.036 0.000 0.942 875 S CB -0.936 62.275 63.200 0.018 0.000 0.768 875 S HN 0.053 nan 8.310 nan 0.000 0.520 876 L N -0.306 120.916 121.223 -0.001 0.000 2.005 876 L HA -0.091 4.248 4.340 -0.001 0.000 0.207 876 L C 1.643 178.406 176.870 -0.178 0.000 1.072 876 L CA 1.486 56.239 54.840 -0.144 0.000 0.744 876 L CB -0.456 41.419 42.059 -0.305 0.000 0.895 876 L HN 0.377 nan 8.230 nan 0.000 0.433 877 Y N -0.955 119.323 120.300 -0.036 0.000 2.529 877 Y HA 0.100 4.649 4.550 -0.001 0.000 0.290 877 Y C 2.221 178.109 175.900 -0.020 0.000 1.177 877 Y CA 0.359 58.444 58.100 -0.024 0.000 1.305 877 Y CB -0.565 37.879 38.460 -0.027 0.000 1.047 877 Y HN 0.098 nan 8.280 nan 0.000 0.522 878 A N 0.322 123.206 122.820 0.106 0.000 1.874 878 A HA -0.054 4.265 4.320 -0.001 0.000 0.214 878 A C 1.912 179.520 177.584 0.040 0.000 1.189 878 A CA 1.267 53.336 52.037 0.053 0.000 0.615 878 A CB -0.462 18.559 19.000 0.035 0.000 0.830 878 A HN 0.294 nan 8.150 nan 0.000 0.443 879 I N 1.050 121.651 120.570 0.052 0.000 2.928 879 I HA -0.088 4.081 4.170 -0.001 0.000 0.266 879 I C 2.544 178.692 176.117 0.052 0.000 1.234 879 I CA 1.630 62.979 61.300 0.081 0.000 1.483 879 I CB -1.355 36.764 38.000 0.199 0.000 1.097 879 I HN 0.505 nan 8.210 nan 0.000 0.455 880 S N 1.414 117.115 115.700 0.001 0.000 2.395 880 S HA -0.117 4.353 4.470 -0.001 0.000 0.225 880 S C 2.039 176.651 174.600 0.020 0.000 1.027 880 S CA 0.497 58.683 58.200 -0.023 0.000 0.965 880 S CB -0.581 62.558 63.200 -0.102 0.000 0.812 880 S HN 0.319 nan 8.310 nan 0.000 0.482 881 L N 1.593 122.843 121.223 0.045 0.000 2.027 881 L HA 0.185 4.524 4.340 -0.001 0.000 0.206 881 L C 2.312 179.213 176.870 0.051 0.000 1.074 881 L CA 1.604 56.471 54.840 0.045 0.000 0.745 881 L CB -0.565 41.511 42.059 0.029 0.000 0.898 881 L HN 0.381 nan 8.230 nan 0.000 0.433 882 I N -1.695 118.895 120.570 0.032 0.000 2.335 882 I HA -0.293 3.876 4.170 -0.001 0.000 0.251 882 I C 2.204 178.376 176.117 0.091 0.000 1.129 882 I CA 1.049 62.375 61.300 0.042 0.000 1.402 882 I CB -0.427 37.583 38.000 0.018 0.000 1.069 882 I HN 0.097 nan 8.210 nan 0.000 0.424 883 V N -0.103 119.851 119.914 0.066 0.000 2.302 883 V HA -0.183 3.936 4.120 -0.001 0.000 0.243 883 V C 2.430 178.545 176.094 0.034 0.000 1.036 883 V CA 1.240 63.572 62.300 0.052 0.000 1.020 883 V CB -0.375 31.468 31.823 0.034 0.000 0.657 883 V HN 0.190 nan 8.190 nan 0.000 0.453 884 V N -0.118 119.806 119.914 0.018 0.000 2.250 884 V HA -0.357 3.762 4.120 -0.001 0.000 0.250 884 V C 2.232 178.320 176.094 -0.010 0.000 1.060 884 V CA 2.916 65.205 62.300 -0.018 0.000 1.030 884 V CB -0.704 31.111 31.823 -0.013 0.000 0.643 884 V HN 0.609 nan 8.190 nan 0.000 0.445 885 F N -0.098 119.790 119.950 -0.103 0.000 2.171 885 F HA -0.058 4.468 4.527 -0.001 0.000 0.300 885 F C 1.132 176.891 175.800 -0.068 0.000 1.090 885 F CA 0.877 58.801 58.000 -0.126 0.000 1.293 885 F CB -0.019 38.899 39.000 -0.137 0.000 1.013 885 F HN 0.153 nan 8.300 nan 0.000 0.486 886 L N -0.024 121.264 121.223 0.108 0.000 2.472 886 L HA 0.113 4.452 4.340 -0.001 0.000 0.260 886 L C 0.997 177.849 176.870 -0.030 0.000 1.209 886 L CA -0.109 54.763 54.840 0.054 0.000 0.817 886 L CB 0.618 42.755 42.059 0.129 0.000 1.106 886 L HN 0.393 nan 8.230 nan 0.000 0.479 887 C N 1.427 120.731 119.300 0.008 0.000 4.135 887 C HA -0.231 4.228 4.460 -0.001 0.000 0.289 887 C C 1.659 176.644 174.990 -0.008 0.000 1.517 887 C CA 0.870 59.918 59.018 0.049 0.000 2.043 887 C CB -2.979 24.794 27.740 0.055 0.000 1.362 887 C HN 0.693 nan 8.230 nan 0.000 0.789 888 L N -0.558 120.552 121.223 -0.189 0.000 2.715 888 L HA 0.299 4.638 4.340 -0.001 0.000 0.238 888 L C 1.384 178.113 176.870 -0.235 0.000 1.212 888 L CA 0.980 55.564 54.840 -0.427 0.000 1.017 888 L CB -0.173 41.619 42.059 -0.445 0.000 1.269 888 L HN 0.527 nan 8.230 nan 0.000 0.452 889 A N -2.055 120.816 122.820 0.085 0.000 2.574 889 A HA 0.451 4.770 4.320 -0.001 0.000 0.246 889 A C 1.534 179.211 177.584 0.155 0.000 1.025 889 A CA 0.460 52.576 52.037 0.132 0.000 1.043 889 A CB -0.068 18.918 19.000 -0.023 0.000 1.177 889 A HN 0.235 nan 8.150 nan 0.000 0.526 890 A N 0.315 123.283 122.820 0.248 0.000 1.845 890 A HA 0.153 4.472 4.320 -0.001 0.000 0.215 890 A C 1.417 178.935 177.584 -0.110 0.000 1.195 890 A CA 1.801 53.874 52.037 0.062 0.000 0.616 890 A CB -0.342 18.711 19.000 0.089 0.000 0.832 890 A HN 0.611 nan 8.150 nan 0.000 0.443 891 L N -1.602 119.379 121.223 -0.404 0.000 3.014 891 L HA 0.237 4.576 4.340 -0.001 0.000 0.263 891 L C 0.686 177.206 176.870 -0.582 0.000 1.207 891 L CA -0.109 54.434 54.840 -0.496 0.000 1.017 891 L CB 0.456 42.199 42.059 -0.527 0.000 1.360 891 L HN 0.547 nan 8.230 nan 0.000 0.560 892 Y N -1.444 118.809 120.300 -0.079 0.000 2.581 892 Y HA 0.283 4.832 4.550 -0.001 0.000 0.271 892 Y C 0.511 176.352 175.900 -0.098 0.000 1.100 892 Y CA -0.878 57.172 58.100 -0.083 0.000 1.281 892 Y CB 0.477 38.882 38.460 -0.092 0.000 1.237 892 Y HN -0.059 nan 8.280 nan 0.000 0.514 893 E N 0.450 120.676 120.200 0.042 0.000 8.380 893 E HA -0.181 4.169 4.350 -0.001 0.000 0.467 893 E C 0.142 176.655 176.600 -0.145 0.000 0.976 893 E CA 0.629 56.985 56.400 -0.073 0.000 1.699 893 E CB -0.978 28.666 29.700 -0.093 0.000 0.997 893 E HN 0.371 nan 8.360 nan 0.000 0.265 894 S N -1.430 114.075 115.700 -0.325 0.000 3.513 894 S HA -0.264 4.205 4.470 -0.001 0.000 0.636 894 S C 0.571 174.935 174.600 -0.394 0.000 2.452 894 S CA 1.147 58.982 58.200 -0.609 0.000 2.644 894 S CB -0.694 62.254 63.200 -0.421 0.000 0.331 894 S HN 0.608 nan 8.310 nan 0.000 1.787 895 W N 0.593 121.918 121.300 0.041 0.000 3.391 895 W HA 0.436 5.095 4.660 -0.001 0.000 0.372 895 W C 1.957 178.541 176.519 0.108 0.000 1.171 895 W CA 0.160 57.553 57.345 0.080 0.000 1.862 895 W CB -0.207 29.404 29.460 0.253 0.000 1.048 895 W HN 0.653 nan 8.180 nan 0.000 0.726 896 S N 1.076 116.841 115.700 0.108 0.000 2.395 896 S HA -0.107 4.362 4.470 -0.001 0.000 0.225 896 S C 1.630 176.251 174.600 0.036 0.000 1.027 896 S CA 1.088 59.318 58.200 0.051 0.000 0.965 896 S CB 0.045 63.224 63.200 -0.035 0.000 0.812 896 S HN 0.164 nan 8.310 nan 0.000 0.482 897 I N 1.566 122.125 120.570 -0.019 0.000 2.731 897 I HA 0.178 4.348 4.170 -0.001 0.000 0.260 897 I C -1.276 174.742 176.117 -0.165 0.000 1.138 897 I CA 0.055 61.299 61.300 -0.095 0.000 1.461 897 I CB -2.630 35.279 38.000 -0.152 0.000 1.128 897 I HN 0.159 nan 8.210 nan 0.000 0.438 898 P HA -0.130 nan 4.420 nan 0.000 0.231 898 P C 0.923 177.864 177.300 -0.598 0.000 1.154 898 P CA 1.582 64.355 63.100 -0.545 0.000 0.762 898 P CB -0.279 30.851 31.700 -0.951 0.000 0.790 899 F N -2.739 117.200 119.950 -0.019 0.000 2.834 899 F HA 0.075 4.602 4.527 -0.002 0.000 0.332 899 F C 2.071 177.855 175.800 -0.027 0.000 1.056 899 F CA 0.173 58.183 58.000 0.017 0.000 1.178 899 F CB -0.409 38.624 39.000 0.056 0.000 1.037 899 F HN -0.170 nan 8.300 nan 0.000 0.580 900 S N -0.833 114.915 115.700 0.080 0.000 2.555 900 S HA 0.015 4.484 4.470 -0.001 0.000 0.230 900 S C 1.146 175.714 174.600 -0.052 0.000 0.978 900 S CA 1.071 59.275 58.200 0.006 0.000 0.934 900 S CB -0.189 62.998 63.200 -0.021 0.000 0.766 900 S HN 0.122 nan 8.310 nan 0.000 0.533 901 V N 0.440 120.305 119.914 -0.081 0.000 3.219 901 V HA 0.166 4.285 4.120 -0.001 0.000 0.214 901 V C 1.857 177.894 176.094 -0.096 0.000 1.433 901 V CA 0.574 62.806 62.300 -0.113 0.000 1.301 901 V CB -0.060 31.658 31.823 -0.175 0.000 1.160 901 V HN 0.540 nan 8.190 nan 0.000 0.505 902 M N 2.074 121.604 119.600 -0.118 0.000 2.346 902 M HA -0.053 4.426 4.480 -0.001 0.000 0.263 902 M C 0.994 177.287 176.300 -0.012 0.000 1.064 902 M CA 2.311 57.558 55.300 -0.089 0.000 1.083 902 M CB -0.541 31.980 32.600 -0.133 0.000 1.399 902 M HN 0.371 nan 8.290 nan 0.000 0.435 903 L N -2.577 118.670 121.223 0.040 0.000 3.209 903 L HA 0.467 4.806 4.340 -0.001 0.000 0.279 903 L C 0.586 177.513 176.870 0.095 0.000 1.301 903 L CA -0.362 54.551 54.840 0.122 0.000 1.004 903 L CB -0.236 41.968 42.059 0.241 0.000 1.402 903 L HN -0.028 nan 8.230 nan 0.000 0.577 904 V N -0.729 119.187 119.914 0.004 0.000 3.354 904 V HA -0.076 4.044 4.120 -0.001 0.000 0.258 904 V C 2.373 178.459 176.094 -0.014 0.000 1.159 904 V CA 1.217 63.490 62.300 -0.044 0.000 1.125 904 V CB 0.804 32.570 31.823 -0.095 0.000 0.774 904 V HN 0.573 nan 8.190 nan 0.000 0.464 905 V N -0.714 119.197 119.914 -0.004 0.000 2.469 905 V HA -0.066 4.054 4.120 -0.001 0.000 0.251 905 V C -0.268 175.827 176.094 0.002 0.000 1.064 905 V CA 1.676 63.968 62.300 -0.014 0.000 1.066 905 V CB -2.277 29.535 31.823 -0.017 0.000 0.667 905 V HN 0.525 nan 8.190 nan 0.000 0.461 906 P HA 0.090 nan 4.420 nan 0.000 0.252 906 P C 1.426 178.758 177.300 0.052 0.000 1.265 906 P CA 0.338 63.456 63.100 0.030 0.000 0.775 906 P CB 0.031 31.745 31.700 0.023 0.000 1.128 907 L N -0.506 120.742 121.223 0.042 0.000 2.068 907 L HA 0.097 4.437 4.340 -0.001 0.000 0.204 907 L C 2.480 179.336 176.870 -0.025 0.000 1.076 907 L CA 2.030 56.875 54.840 0.008 0.000 0.753 907 L CB -2.075 39.961 42.059 -0.037 0.000 0.910 907 L HN 0.064 nan 8.230 nan 0.000 0.439 908 G N -0.797 107.978 108.800 -0.043 0.000 2.418 908 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.217 908 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.217 908 G C 1.369 176.247 174.900 -0.036 0.000 1.158 908 G CA 0.832 45.898 45.100 -0.057 0.000 0.771 908 G HN 0.286 nan 8.290 nan 0.000 0.545 909 V N 1.799 121.699 119.914 -0.022 0.000 3.541 909 V HA 0.016 4.135 4.120 -0.001 0.000 0.272 909 V C 2.233 178.361 176.094 0.057 0.000 1.215 909 V CA 0.249 62.552 62.300 0.005 0.000 1.176 909 V CB -0.462 31.350 31.823 -0.019 0.000 0.854 909 V HN 0.252 nan 8.190 nan 0.000 0.496 910 I N 1.172 121.766 120.570 0.041 0.000 2.406 910 I HA 0.147 4.316 4.170 -0.001 0.000 0.249 910 I C 1.387 177.558 176.117 0.090 0.000 1.122 910 I CA 1.510 62.844 61.300 0.057 0.000 1.431 910 I CB -0.435 37.581 38.000 0.025 0.000 1.087 910 I HN 0.489 nan 8.210 nan 0.000 0.424 911 G N -0.257 108.595 108.800 0.087 0.000 4.002 911 G HA2 0.529 4.488 3.960 -0.001 0.000 0.280 911 G HA3 0.529 4.488 3.960 -0.001 0.000 0.280 911 G C 0.461 175.437 174.900 0.126 0.000 3.418 911 G CA 0.254 45.429 45.100 0.125 0.000 0.589 911 G HN 0.410 nan 8.290 nan 0.000 0.283 912 A N 0.779 123.706 122.820 0.178 0.000 5.236 912 A HA -0.306 4.013 4.320 -0.001 0.000 0.326 912 A C 2.001 179.885 177.584 0.499 0.000 1.825 912 A CA 2.330 54.581 52.037 0.356 0.000 0.710 912 A CB -1.448 17.670 19.000 0.197 0.000 1.383 912 A HN 1.562 nan 8.150 nan 0.000 0.386 913 L N -0.941 120.524 121.223 0.403 0.000 2.353 913 L HA 0.046 4.385 4.340 -0.001 0.000 0.220 913 L C 2.258 179.231 176.870 0.173 0.000 1.133 913 L CA 1.695 56.676 54.840 0.235 0.000 0.798 913 L CB -0.642 41.547 42.059 0.216 0.000 0.922 913 L HN 0.525 nan 8.230 nan 0.000 0.445 914 L N 0.220 121.550 121.223 0.179 0.000 2.068 914 L HA 0.034 4.373 4.340 -0.001 0.000 0.204 914 L C 2.743 179.728 176.870 0.192 0.000 1.076 914 L CA 1.802 56.743 54.840 0.169 0.000 0.753 914 L CB -1.006 41.102 42.059 0.082 0.000 0.910 914 L HN 0.230 nan 8.230 nan 0.000 0.439 915 A N -0.782 122.145 122.820 0.179 0.000 1.930 915 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 915 A C 2.399 180.077 177.584 0.157 0.000 1.175 915 A CA 1.600 53.742 52.037 0.175 0.000 0.627 915 A CB -0.848 18.264 19.000 0.186 0.000 0.815 915 A HN 0.373 nan 8.150 nan 0.000 0.443 916 A N -1.330 121.573 122.820 0.138 0.000 2.014 916 A HA 0.051 4.370 4.320 -0.001 0.000 0.218 916 A C 2.176 179.733 177.584 -0.046 0.000 1.163 916 A CA 2.085 54.102 52.037 -0.033 0.000 0.652 916 A CB -0.584 18.204 19.000 -0.353 0.000 0.808 916 A HN 0.436 nan 8.150 nan 0.000 0.449 917 T N -2.001 112.568 114.554 0.025 0.000 3.044 917 T HA 0.146 4.495 4.350 -0.001 0.000 0.237 917 T C 1.081 175.782 174.700 0.003 0.000 1.001 917 T CA 0.449 62.548 62.100 -0.002 0.000 1.160 917 T CB -0.273 68.609 68.868 0.023 0.000 0.889 917 T HN 0.281 nan 8.240 nan 0.000 0.442 918 F N 1.665 121.619 119.950 0.006 0.000 2.795 918 F HA 0.280 4.806 4.527 -0.001 0.000 0.303 918 F C 1.932 177.742 175.800 0.016 0.000 1.186 918 F CA 0.267 58.276 58.000 0.014 0.000 1.415 918 F CB 0.172 39.187 39.000 0.024 0.000 1.106 918 F HN -0.112 nan 8.300 nan 0.000 0.558 919 R N -0.682 119.887 120.500 0.116 0.000 2.600 919 R HA 0.265 4.604 4.340 -0.001 0.000 0.392 919 R C 1.047 177.360 176.300 0.022 0.000 1.032 919 R CA 0.654 56.801 56.100 0.078 0.000 1.139 919 R CB -0.030 30.327 30.300 0.096 0.000 1.400 919 R HN 0.426 nan 8.270 nan 0.000 0.566 920 G N 1.657 110.443 108.800 -0.023 0.000 3.031 920 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.289 920 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.289 920 G C 0.072 174.942 174.900 -0.050 0.000 1.393 920 G CA 0.036 45.108 45.100 -0.047 0.000 1.010 920 G HN 0.282 nan 8.290 nan 0.000 0.579 921 L N -0.444 120.760 121.223 -0.032 0.000 6.880 921 L HA 0.133 4.472 4.340 -0.001 0.000 0.149 921 L C 0.860 177.675 176.870 -0.092 0.000 1.285 921 L CA 3.178 57.994 54.840 -0.040 0.000 1.620 921 L CB -1.047 41.003 42.059 -0.015 0.000 2.591 921 L HN 2.253 nan 8.230 nan 0.000 1.047 922 T N -0.979 113.496 114.554 -0.131 0.000 3.003 922 T HA 0.223 4.572 4.350 -0.001 0.000 0.354 922 T C -0.923 173.601 174.700 -0.293 0.000 1.651 922 T CA -0.241 61.736 62.100 -0.205 0.000 1.103 922 T CB 0.578 69.363 68.868 -0.138 0.000 1.450 922 T HN 0.949 nan 8.240 nan 0.000 0.484 923 N N 3.785 122.216 118.700 -0.447 0.000 2.423 923 N HA 0.037 4.776 4.740 -0.001 0.000 0.275 923 N C -0.109 175.304 175.510 -0.162 0.000 1.283 923 N CA 0.280 53.011 53.050 -0.532 0.000 0.932 923 N CB 0.322 38.474 38.487 -0.559 0.000 1.185 923 N HN 0.742 nan 8.380 nan 0.000 0.483 924 D N 1.601 121.993 120.400 -0.013 0.000 2.624 924 D HA 0.066 4.705 4.640 -0.001 0.000 0.257 924 D C 0.697 177.011 176.300 0.023 0.000 1.167 924 D CA -0.504 53.490 54.000 -0.010 0.000 1.086 924 D CB 0.746 41.526 40.800 -0.033 0.000 1.210 924 D HN 0.176 nan 8.370 nan 0.000 0.631 925 V N -0.026 119.765 119.914 -0.204 0.000 3.563 925 V HA 0.036 4.155 4.120 -0.001 0.000 0.299 925 V C 0.362 176.298 176.094 -0.262 0.000 1.290 925 V CA 0.311 62.450 62.300 -0.270 0.000 1.201 925 V CB -1.647 29.866 31.823 -0.517 0.000 1.045 925 V HN 0.438 nan 8.190 nan 0.000 0.425 926 Y N -3.088 117.313 120.300 0.168 0.000 2.467 926 Y HA 0.201 4.750 4.550 -0.001 0.000 0.259 926 Y C 1.854 177.879 175.900 0.207 0.000 1.084 926 Y CA -0.221 57.988 58.100 0.181 0.000 1.275 926 Y CB 0.144 38.738 38.460 0.224 0.000 1.208 926 Y HN 0.241 nan 8.280 nan 0.000 0.511 927 F N 1.665 121.740 119.950 0.209 0.000 2.146 927 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 927 F C 2.032 177.941 175.800 0.182 0.000 1.096 927 F CA 1.580 59.678 58.000 0.164 0.000 1.275 927 F CB -0.021 39.046 39.000 0.111 0.000 1.008 927 F HN -0.058 nan 8.300 nan 0.000 0.480 928 Q N -0.399 119.617 119.800 0.360 0.000 2.408 928 Q HA 0.039 4.378 4.340 -0.001 0.000 0.214 928 Q C 0.652 176.829 176.000 0.294 0.000 0.957 928 Q CA 0.447 56.458 55.803 0.347 0.000 0.965 928 Q CB -0.038 28.960 28.738 0.434 0.000 0.991 928 Q HN 0.331 nan 8.270 nan 0.000 0.505 929 V N -3.529 116.515 119.914 0.218 0.000 3.193 929 V HA 0.183 4.302 4.120 -0.001 0.000 0.237 929 V C 1.592 177.753 176.094 0.113 0.000 1.447 929 V CA 0.826 63.228 62.300 0.170 0.000 1.227 929 V CB 0.343 32.277 31.823 0.184 0.000 1.040 929 V HN 0.352 nan 8.190 nan 0.000 0.458 930 G N 0.019 108.866 108.800 0.079 0.000 2.394 930 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.214 930 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.214 930 G C 1.499 176.344 174.900 -0.091 0.000 1.176 930 G CA 0.876 45.975 45.100 -0.001 0.000 0.786 930 G HN 0.379 nan 8.290 nan 0.000 0.533 931 L N -0.364 120.719 121.223 -0.233 0.000 2.351 931 L HA -0.015 4.324 4.340 -0.001 0.000 0.220 931 L C 2.057 178.943 176.870 0.027 0.000 1.127 931 L CA 0.603 55.317 54.840 -0.211 0.000 0.786 931 L CB 0.055 41.971 42.059 -0.239 0.000 0.914 931 L HN 0.166 nan 8.230 nan 0.000 0.443 932 L N -2.108 119.181 121.223 0.111 0.000 2.556 932 L HA 0.033 4.372 4.340 -0.001 0.000 0.226 932 L C 2.193 179.237 176.870 0.290 0.000 1.089 932 L CA 0.901 55.872 54.840 0.219 0.000 0.864 932 L CB -0.120 42.086 42.059 0.244 0.000 1.067 932 L HN 0.003 nan 8.230 nan 0.000 0.477 933 T N -1.608 113.067 114.554 0.202 0.000 3.051 933 T HA -0.054 4.296 4.350 -0.001 0.000 0.255 933 T C 1.603 176.349 174.700 0.077 0.000 1.085 933 T CA 1.171 63.409 62.100 0.229 0.000 1.109 933 T CB -0.043 68.945 68.868 0.200 0.000 0.921 933 T HN 0.410 nan 8.240 nan 0.000 0.488 934 T N -0.056 114.501 114.554 0.006 0.000 3.284 934 T HA 0.190 4.539 4.350 -0.001 0.000 0.252 934 T C 1.400 176.067 174.700 -0.055 0.000 1.144 934 T CA 0.002 62.061 62.100 -0.068 0.000 1.021 934 T CB -0.306 68.506 68.868 -0.093 0.000 0.984 934 T HN 0.258 nan 8.240 nan 0.000 0.545 935 I N 0.698 121.259 120.570 -0.015 0.000 3.443 935 I HA 0.315 4.484 4.170 -0.001 0.000 0.277 935 I C 2.607 178.673 176.117 -0.084 0.000 1.169 935 I CA 0.883 62.163 61.300 -0.033 0.000 1.419 935 I CB -1.300 36.708 38.000 0.013 0.000 1.331 935 I HN 0.415 nan 8.210 nan 0.000 0.458 936 G N 1.826 110.571 108.800 -0.092 0.000 2.426 936 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.214 936 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.214 936 G C 1.552 176.389 174.900 -0.105 0.000 1.156 936 G CA 0.267 45.256 45.100 -0.185 0.000 0.802 936 G HN 0.283 nan 8.290 nan 0.000 0.534 937 L N 0.554 121.744 121.223 -0.054 0.000 2.313 937 L HA 0.194 4.533 4.340 -0.001 0.000 0.214 937 L C 1.833 178.614 176.870 -0.149 0.000 1.119 937 L CA 1.776 56.562 54.840 -0.090 0.000 0.809 937 L CB -1.028 40.947 42.059 -0.140 0.000 0.933 937 L HN 0.095 nan 8.230 nan 0.000 0.449 938 S N 0.921 116.534 115.700 -0.144 0.000 2.481 938 S HA 0.102 4.571 4.470 -0.001 0.000 0.231 938 S C 2.162 176.690 174.600 -0.119 0.000 0.996 938 S CA 0.890 59.006 58.200 -0.140 0.000 0.942 938 S CB -0.140 62.985 63.200 -0.125 0.000 0.768 938 S HN 0.703 nan 8.310 nan 0.000 0.520 939 A N 2.405 125.155 122.820 -0.117 0.000 1.929 939 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 939 A C 1.905 179.433 177.584 -0.093 0.000 1.176 939 A CA 1.562 53.528 52.037 -0.119 0.000 0.628 939 A CB -0.442 18.472 19.000 -0.142 0.000 0.816 939 A HN 0.550 nan 8.150 nan 0.000 0.444 940 K N -0.169 120.185 120.400 -0.077 0.000 2.555 940 K HA 0.011 4.330 4.320 -0.001 0.000 0.193 940 K C 0.681 177.266 176.600 -0.024 0.000 1.032 940 K CA 1.636 57.896 56.287 -0.045 0.000 1.004 940 K CB -0.203 32.281 32.500 -0.028 0.000 0.804 940 K HN 0.334 nan 8.250 nan 0.000 0.496 941 N N -0.128 118.540 118.700 -0.054 0.000 2.414 941 N HA 0.182 4.921 4.740 -0.001 0.000 0.177 941 N C 1.082 176.561 175.510 -0.051 0.000 1.062 941 N CA 0.889 53.910 53.050 -0.048 0.000 0.890 941 N CB 0.588 39.019 38.487 -0.094 0.000 1.070 941 N HN 0.324 nan 8.380 nan 0.000 0.454 942 A N 0.269 123.046 122.820 -0.073 0.000 1.944 942 A HA 0.226 4.545 4.320 -0.001 0.000 0.209 942 A C 1.601 179.147 177.584 -0.063 0.000 1.328 942 A CA 0.224 52.211 52.037 -0.083 0.000 0.693 942 A CB -0.444 18.490 19.000 -0.110 0.000 0.994 942 A HN 0.097 nan 8.150 nan 0.000 0.485 943 I N 0.059 120.573 120.570 -0.094 0.000 3.334 943 I HA 0.084 4.253 4.170 -0.001 0.000 0.282 943 I C 0.997 177.093 176.117 -0.036 0.000 1.313 943 I CA 0.383 61.613 61.300 -0.116 0.000 1.396 943 I CB 0.061 37.921 38.000 -0.232 0.000 1.054 943 I HN 0.288 nan 8.210 nan 0.000 0.495 944 L N 0.507 121.730 121.223 -0.002 0.000 2.965 944 L HA 0.240 4.579 4.340 -0.001 0.000 0.254 944 L C 0.978 177.995 176.870 0.246 0.000 1.220 944 L CA 0.338 55.196 54.840 0.030 0.000 1.023 944 L CB 0.052 42.104 42.059 -0.011 0.000 1.355 944 L HN 0.289 nan 8.230 nan 0.000 0.545 945 I N -5.423 115.259 120.570 0.187 0.000 4.774 945 I HA 0.140 4.309 4.170 -0.001 0.000 0.330 945 I C 1.496 177.733 176.117 0.200 0.000 1.287 945 I CA 0.265 61.715 61.300 0.251 0.000 1.311 945 I CB -0.099 38.008 38.000 0.179 0.000 1.315 945 I HN -0.215 nan 8.210 nan 0.000 0.459 946 V N 1.182 121.166 119.914 0.117 0.000 2.488 946 V HA -0.081 4.038 4.120 -0.001 0.000 0.246 946 V C 2.602 178.772 176.094 0.125 0.000 1.046 946 V CA 2.170 64.525 62.300 0.092 0.000 1.053 946 V CB -0.579 31.254 31.823 0.016 0.000 0.679 946 V HN 0.481 nan 8.190 nan 0.000 0.458 947 E N -0.038 120.245 120.200 0.138 0.000 2.122 947 E HA -0.051 4.299 4.350 -0.001 0.000 0.190 947 E C 1.949 178.639 176.600 0.150 0.000 0.977 947 E CA 0.962 57.446 56.400 0.141 0.000 0.820 947 E CB -0.262 29.520 29.700 0.137 0.000 0.770 947 E HN 0.548 nan 8.360 nan 0.000 0.462 948 F N -0.148 119.846 119.950 0.072 0.000 2.234 948 F HA -0.072 4.454 4.527 -0.002 0.000 0.299 948 F C 1.909 177.751 175.800 0.069 0.000 1.087 948 F CA 0.450 58.489 58.000 0.064 0.000 1.340 948 F CB 0.139 39.178 39.000 0.065 0.000 1.031 948 F HN 0.191 nan 8.300 nan 0.000 0.500 949 A N 0.088 123.086 122.820 0.297 0.000 1.991 949 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 949 A C 1.964 179.639 177.584 0.151 0.000 1.487 949 A CA 0.815 52.966 52.037 0.190 0.000 0.603 949 A CB -0.966 18.137 19.000 0.171 0.000 1.112 949 A HN 0.144 nan 8.150 nan 0.000 0.492 950 K N -0.354 120.123 120.400 0.128 0.000 2.397 950 K HA -0.283 4.037 4.320 -0.001 0.000 0.202 950 K C 0.788 177.439 176.600 0.084 0.000 1.043 950 K CA 1.878 58.223 56.287 0.097 0.000 0.934 950 K CB -0.370 32.178 32.500 0.080 0.000 0.743 950 K HN 0.436 nan 8.250 nan 0.000 0.485 951 D N 0.193 120.651 120.400 0.096 0.000 2.350 951 D HA -0.080 4.559 4.640 -0.001 0.000 0.216 951 D C 1.539 177.884 176.300 0.075 0.000 0.968 951 D CA 0.545 54.590 54.000 0.075 0.000 0.894 951 D CB 0.122 40.972 40.800 0.083 0.000 0.909 951 D HN 0.270 nan 8.370 nan 0.000 0.520 952 L N -0.783 120.493 121.223 0.088 0.000 2.179 952 L HA 0.055 4.394 4.340 -0.001 0.000 0.208 952 L C 1.048 177.955 176.870 0.061 0.000 1.096 952 L CA 0.303 55.185 54.840 0.071 0.000 0.779 952 L CB -0.237 41.865 42.059 0.072 0.000 0.922 952 L HN 0.074 nan 8.230 nan 0.000 0.443 953 M N -0.446 119.196 119.600 0.070 0.000 2.036 953 M HA 0.012 4.491 4.480 -0.001 0.000 0.276 953 M C 0.761 177.090 176.300 0.049 0.000 1.262 953 M CA 0.707 56.048 55.300 0.068 0.000 1.097 953 M CB 0.382 33.037 32.600 0.091 0.000 1.386 953 M HN 0.037 nan 8.290 nan 0.000 0.482 954 D N -0.584 119.842 120.400 0.044 0.000 4.438 954 D HA -0.292 4.347 4.640 -0.001 0.000 0.158 954 D C 0.931 177.242 176.300 0.018 0.000 0.686 954 D CA 2.279 56.295 54.000 0.026 0.000 1.183 954 D CB -0.759 40.052 40.800 0.018 0.000 0.623 954 D HN 0.673 nan 8.370 nan 0.000 0.521 955 K N 1.195 121.603 120.400 0.012 0.000 2.209 955 K HA -0.015 4.304 4.320 -0.001 0.000 0.204 955 K C 1.097 177.705 176.600 0.014 0.000 1.048 955 K CA 1.015 57.307 56.287 0.007 0.000 0.940 955 K CB 0.039 32.539 32.500 0.000 0.000 0.729 955 K HN 0.382 nan 8.250 nan 0.000 0.451 956 E N -0.425 119.789 120.200 0.023 0.000 2.285 956 E HA 0.275 4.624 4.350 -0.001 0.000 0.254 956 E C -0.480 176.135 176.600 0.025 0.000 1.011 956 E CA -0.768 55.647 56.400 0.025 0.000 0.873 956 E CB 1.185 30.906 29.700 0.035 0.000 1.229 956 E HN 0.143 nan 8.360 nan 0.000 0.422 957 G N 2.071 110.885 108.800 0.023 0.000 2.334 957 G HA2 0.010 3.970 3.960 -0.001 0.000 0.261 957 G HA3 0.010 3.970 3.960 -0.001 0.000 0.261 957 G C -0.093 174.821 174.900 0.024 0.000 1.257 957 G CA -0.033 45.078 45.100 0.019 0.000 0.935 957 G HN 0.327 nan 8.290 nan 0.000 0.480 958 K N 0.770 121.184 120.400 0.023 0.000 2.402 958 K HA 0.265 4.584 4.320 -0.001 0.000 0.265 958 K C 0.647 177.264 176.600 0.028 0.000 0.978 958 K CA 0.992 57.298 56.287 0.031 0.000 0.913 958 K CB 0.678 33.191 32.500 0.022 0.000 0.954 958 K HN 0.629 nan 8.250 nan 0.000 0.511 959 G N 1.800 110.625 108.800 0.042 0.000 3.748 959 G HA2 0.121 4.080 3.960 -0.001 0.000 0.292 959 G HA3 0.121 4.080 3.960 -0.001 0.000 0.292 959 G C 0.125 175.063 174.900 0.063 0.000 3.340 959 G CA -0.601 44.519 45.100 0.034 0.000 0.603 959 G HN 0.515 nan 8.290 nan 0.000 0.290 960 L N 1.683 122.928 121.223 0.036 0.000 2.089 960 L HA 0.089 4.428 4.340 -0.001 0.000 0.213 960 L C 1.973 178.895 176.870 0.088 0.000 1.079 960 L CA 2.452 57.322 54.840 0.050 0.000 0.758 960 L CB 0.093 42.072 42.059 -0.134 0.000 0.891 960 L HN 0.616 nan 8.230 nan 0.000 0.433 961 I N -3.320 117.262 120.570 0.020 0.000 4.864 961 I HA 0.050 4.219 4.170 -0.001 0.000 0.337 961 I C 1.105 177.205 176.117 -0.029 0.000 1.283 961 I CA 0.075 61.371 61.300 -0.006 0.000 1.350 961 I CB 0.381 38.358 38.000 -0.037 0.000 1.412 961 I HN 0.086 nan 8.210 nan 0.000 0.487 962 E N 0.675 120.865 120.200 -0.017 0.000 2.501 962 E HA 0.292 4.642 4.350 -0.001 0.000 0.201 962 E C 1.294 177.889 176.600 -0.008 0.000 1.016 962 E CA 0.447 56.833 56.400 -0.024 0.000 0.920 962 E CB 0.842 30.528 29.700 -0.023 0.000 1.023 962 E HN 0.489 nan 8.360 nan 0.000 0.474 963 A N 0.078 122.905 122.820 0.012 0.000 2.192 963 A HA 0.028 4.347 4.320 -0.001 0.000 0.208 963 A C 2.003 179.608 177.584 0.035 0.000 1.220 963 A CA 0.330 52.384 52.037 0.028 0.000 0.900 963 A CB 0.052 19.081 19.000 0.048 0.000 0.937 963 A HN 0.145 nan 8.150 nan 0.000 0.487 964 T N -0.799 113.772 114.554 0.028 0.000 3.072 964 T HA 0.057 4.406 4.350 -0.001 0.000 0.266 964 T C 1.381 176.044 174.700 -0.061 0.000 1.127 964 T CA 1.222 63.338 62.100 0.027 0.000 1.107 964 T CB -0.345 68.548 68.868 0.042 0.000 0.910 964 T HN 0.178 nan 8.240 nan 0.000 0.513 965 L N 0.101 121.273 121.223 -0.084 0.000 2.388 965 L HA 0.355 4.694 4.340 -0.001 0.000 0.209 965 L C 2.097 178.936 176.870 -0.051 0.000 1.061 965 L CA 0.862 55.627 54.840 -0.126 0.000 0.834 965 L CB -0.147 41.828 42.059 -0.140 0.000 1.029 965 L HN 0.117 nan 8.230 nan 0.000 0.473 966 D N -0.452 119.935 120.400 -0.022 0.000 2.178 966 D HA -0.116 4.523 4.640 -0.001 0.000 0.202 966 D C 2.133 178.433 176.300 0.000 0.000 0.974 966 D CA 1.171 55.168 54.000 -0.004 0.000 0.841 966 D CB 0.323 41.125 40.800 0.003 0.000 0.953 966 D HN 0.264 nan 8.370 nan 0.000 0.478 967 A N 0.034 122.861 122.820 0.011 0.000 1.855 967 A HA -0.021 4.298 4.320 -0.001 0.000 0.213 967 A C 1.751 179.331 177.584 -0.006 0.000 1.195 967 A CA 1.224 53.264 52.037 0.004 0.000 0.610 967 A CB -0.746 18.290 19.000 0.061 0.000 0.837 967 A HN 0.305 nan 8.150 nan 0.000 0.444 968 V N -2.418 117.535 119.914 0.065 0.000 3.102 968 V HA 0.402 4.521 4.120 -0.001 0.000 0.371 968 V C 0.788 176.971 176.094 0.149 0.000 1.414 968 V CA 0.976 63.372 62.300 0.160 0.000 1.565 968 V CB -1.104 30.931 31.823 0.353 0.000 1.273 968 V HN 0.546 nan 8.190 nan 0.000 0.478 969 R N 1.314 121.847 120.500 0.054 0.000 2.725 969 R HA 0.270 4.609 4.340 -0.001 0.000 0.207 969 R C 1.609 177.903 176.300 -0.010 0.000 0.924 969 R CA 0.664 56.793 56.100 0.048 0.000 1.098 969 R CB 0.326 30.650 30.300 0.039 0.000 1.602 969 R HN 0.591 nan 8.270 nan 0.000 0.615 970 M N 1.084 120.654 119.600 -0.051 0.000 2.419 970 M HA 0.282 4.761 4.480 -0.001 0.000 0.252 970 M C 0.095 176.322 176.300 -0.120 0.000 1.143 970 M CA 0.583 55.843 55.300 -0.066 0.000 0.985 970 M CB 0.763 33.336 32.600 -0.044 0.000 1.489 970 M HN 0.006 nan 8.290 nan 0.000 0.484 971 R N 1.635 122.037 120.500 -0.162 0.000 2.493 971 R HA 0.118 4.457 4.340 -0.001 0.000 0.404 971 R C 0.743 176.971 176.300 -0.119 0.000 0.834 971 R CA -0.070 55.911 56.100 -0.197 0.000 1.056 971 R CB -1.471 28.551 30.300 -0.463 0.000 1.620 971 R HN 0.337 nan 8.270 nan 0.000 0.570 972 L N -0.908 120.280 121.223 -0.059 0.000 2.217 972 L HA 0.203 4.543 4.340 -0.001 0.000 0.211 972 L C 2.139 179.008 176.870 -0.002 0.000 1.107 972 L CA 1.307 56.136 54.840 -0.019 0.000 0.783 972 L CB -1.444 40.596 42.059 -0.032 0.000 0.919 972 L HN 0.239 nan 8.230 nan 0.000 0.442 973 R N 1.164 121.677 120.500 0.021 0.000 2.168 973 R HA -0.204 4.135 4.340 -0.001 0.000 0.242 973 R C -0.191 176.110 176.300 0.002 0.000 1.123 973 R CA 3.051 59.215 56.100 0.108 0.000 0.928 973 R CB -1.476 28.898 30.300 0.124 0.000 0.873 973 R HN 0.333 nan 8.270 nan 0.000 0.434 974 P HA -0.176 nan 4.420 nan 0.000 0.211 974 P C 1.225 178.502 177.300 -0.040 0.000 1.181 974 P CA 1.662 64.751 63.100 -0.019 0.000 0.929 974 P CB -0.198 31.539 31.700 0.062 0.000 0.789 975 I N -1.650 118.919 120.570 -0.002 0.000 3.102 975 I HA -0.156 4.013 4.170 -0.001 0.000 0.278 975 I C 1.945 178.035 176.117 -0.044 0.000 1.316 975 I CA 1.120 62.412 61.300 -0.014 0.000 1.425 975 I CB -0.581 37.427 38.000 0.013 0.000 1.073 975 I HN -0.019 nan 8.210 nan 0.000 0.503 976 L N -0.560 120.630 121.223 -0.056 0.000 2.500 976 L HA 0.178 4.517 4.340 -0.001 0.000 0.219 976 L C 2.072 178.828 176.870 -0.190 0.000 1.057 976 L CA 0.984 55.798 54.840 -0.043 0.000 0.854 976 L CB -0.338 41.777 42.059 0.093 0.000 1.078 976 L HN 0.413 nan 8.230 nan 0.000 0.480 977 M N -3.726 115.622 119.600 -0.421 0.000 2.516 977 M HA 0.114 4.593 4.480 -0.001 0.000 0.259 977 M C 1.666 177.802 176.300 -0.274 0.000 1.146 977 M CA 0.780 55.681 55.300 -0.665 0.000 1.122 977 M CB -0.358 31.509 32.600 -1.221 0.000 1.341 977 M HN -0.216 nan 8.290 nan 0.000 0.478 978 T N 1.840 116.308 114.554 -0.144 0.000 2.732 978 T HA -0.038 4.311 4.350 -0.001 0.000 0.261 978 T C 1.687 176.425 174.700 0.063 0.000 1.040 978 T CA 1.989 64.082 62.100 -0.013 0.000 1.145 978 T CB -0.234 68.639 68.868 0.010 0.000 0.866 978 T HN 0.678 nan 8.240 nan 0.000 0.427 979 S N 0.681 116.370 115.700 -0.019 0.000 2.942 979 S HA 0.208 4.677 4.470 -0.001 0.000 0.244 979 S C 1.006 175.609 174.600 0.004 0.000 1.011 979 S CA -0.057 58.112 58.200 -0.052 0.000 1.102 979 S CB -0.224 62.902 63.200 -0.122 0.000 0.812 979 S HN 0.271 nan 8.310 nan 0.000 0.486 980 L N -0.639 120.605 121.223 0.036 0.000 2.966 980 L HA 0.576 4.915 4.340 -0.001 0.000 0.262 980 L C 2.040 178.936 176.870 0.045 0.000 1.068 980 L CA 0.897 55.753 54.840 0.027 0.000 1.004 980 L CB -0.621 41.417 42.059 -0.036 0.000 1.629 980 L HN 0.221 nan 8.230 nan 0.000 0.542 981 A N -0.158 122.683 122.820 0.035 0.000 2.019 981 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 981 A C 1.396 178.984 177.584 0.007 0.000 1.164 981 A CA 1.116 53.158 52.037 0.009 0.000 0.644 981 A CB -0.754 18.241 19.000 -0.008 0.000 0.805 981 A HN 0.334 nan 8.150 nan 0.000 0.449 982 F N -0.858 119.062 119.950 -0.049 0.000 2.050 982 F HA 0.092 4.619 4.527 -0.002 0.000 0.189 982 F C 2.039 177.817 175.800 -0.036 0.000 0.734 982 F CA 0.879 58.855 58.000 -0.041 0.000 1.132 982 F CB -0.142 38.835 39.000 -0.038 0.000 2.174 982 F HN 0.105 nan 8.300 nan 0.000 0.634 983 I N -1.400 119.324 120.570 0.257 0.000 4.374 983 I HA -0.417 3.752 4.170 -0.001 0.000 0.078 983 I C 1.398 177.550 176.117 0.059 0.000 0.592 983 I CA 2.283 63.653 61.300 0.117 0.000 0.987 983 I CB -2.088 35.958 38.000 0.077 0.000 0.884 983 I HN 0.427 nan 8.210 nan 0.000 0.180 984 L N -0.395 120.846 121.223 0.031 0.000 2.609 984 L HA 0.298 4.637 4.340 -0.001 0.000 0.230 984 L C 2.296 179.146 176.870 -0.034 0.000 1.087 984 L CA 0.833 55.672 54.840 -0.002 0.000 0.874 984 L CB -0.230 41.826 42.059 -0.005 0.000 1.114 984 L HN 0.383 nan 8.230 nan 0.000 0.488 985 G N -0.540 108.224 108.800 -0.060 0.000 2.712 985 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.212 985 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.212 985 G C 1.223 176.048 174.900 -0.125 0.000 1.142 985 G CA 0.529 45.560 45.100 -0.114 0.000 0.789 985 G HN 0.154 nan 8.290 nan 0.000 0.535 986 V N 1.277 121.146 119.914 -0.076 0.000 3.578 986 V HA 0.259 4.378 4.120 -0.001 0.000 0.290 986 V C 2.126 178.210 176.094 -0.017 0.000 1.376 986 V CA 0.940 63.211 62.300 -0.049 0.000 1.083 986 V CB 0.130 31.973 31.823 0.032 0.000 0.911 986 V HN 0.531 nan 8.190 nan 0.000 0.433 987 M N -0.007 119.584 119.600 -0.014 0.000 2.476 987 M HA 0.226 4.706 4.480 -0.001 0.000 0.262 987 M C -0.981 175.310 176.300 -0.015 0.000 1.111 987 M CA 0.985 56.284 55.300 -0.003 0.000 1.127 987 M CB -1.138 31.464 32.600 0.004 0.000 1.376 987 M HN 0.136 nan 8.290 nan 0.000 0.465 988 P HA -0.002 nan 4.420 nan 0.000 0.230 988 P C 1.290 178.568 177.300 -0.037 0.000 1.158 988 P CA 0.996 64.072 63.100 -0.039 0.000 0.769 988 P CB -0.072 31.594 31.700 -0.058 0.000 0.807 989 L N -1.039 120.161 121.223 -0.038 0.000 2.102 989 L HA -0.075 4.264 4.340 -0.001 0.000 0.202 989 L C 2.528 179.403 176.870 0.009 0.000 1.076 989 L CA 1.047 55.870 54.840 -0.030 0.000 0.761 989 L CB -1.309 40.715 42.059 -0.058 0.000 0.921 989 L HN -0.072 nan 8.230 nan 0.000 0.444 990 V N -0.593 119.332 119.914 0.019 0.000 2.270 990 V HA -0.076 4.043 4.120 -0.001 0.000 0.245 990 V C 1.161 177.275 176.094 0.033 0.000 1.043 990 V CA 1.147 63.471 62.300 0.039 0.000 1.014 990 V CB -0.543 31.308 31.823 0.047 0.000 0.645 990 V HN 0.365 nan 8.190 nan 0.000 0.447 991 I N -3.845 116.737 120.570 0.021 0.000 3.595 991 I HA 0.788 4.957 4.170 -0.001 0.000 0.289 991 I C 1.292 177.412 176.117 0.005 0.000 1.145 991 I CA -0.290 61.020 61.300 0.018 0.000 1.071 991 I CB 0.764 38.776 38.000 0.020 0.000 1.364 991 I HN 0.125 nan 8.210 nan 0.000 0.486 992 S N -1.573 114.130 115.700 0.004 0.000 2.675 992 S HA -0.212 4.257 4.470 -0.001 0.000 0.258 992 S C 0.560 175.156 174.600 -0.006 0.000 1.282 992 S CA 1.942 60.140 58.200 -0.004 0.000 1.471 992 S CB -1.881 61.310 63.200 -0.014 0.000 1.848 992 S HN 1.477 nan 8.310 nan 0.000 0.655 993 T N -3.669 110.885 114.554 0.000 0.000 2.573 993 T HA 0.708 5.057 4.350 -0.001 0.000 0.259 993 T C 1.322 176.033 174.700 0.018 0.000 0.886 993 T CA 0.291 62.391 62.100 0.000 0.000 1.110 993 T CB 0.955 69.816 68.868 -0.012 0.000 1.421 993 T HN 1.522 nan 8.240 nan 0.000 0.523 994 G N -0.766 108.047 108.800 0.022 0.000 2.229 994 G HA2 0.059 4.018 3.960 -0.001 0.000 0.189 994 G HA3 0.059 4.018 3.960 -0.001 0.000 0.189 994 G C 0.834 175.769 174.900 0.059 0.000 1.000 994 G CA 0.555 45.679 45.100 0.039 0.000 0.663 994 G HN 1.170 nan 8.290 nan 0.000 0.493 995 A N 0.471 123.324 122.820 0.056 0.000 1.864 995 A HA 0.596 4.915 4.320 -0.001 0.000 0.213 995 A C 2.580 180.215 177.584 0.086 0.000 1.266 995 A CA 1.876 53.985 52.037 0.120 0.000 0.612 995 A CB -0.979 18.094 19.000 0.121 0.000 0.940 995 A HN 1.385 nan 8.150 nan 0.000 0.463 996 G N -1.177 107.557 108.800 -0.110 0.000 2.448 996 G HA2 0.200 4.159 3.960 -0.001 0.000 0.218 996 G HA3 0.200 4.159 3.960 -0.001 0.000 0.218 996 G C 0.701 175.420 174.900 -0.303 0.000 1.135 996 G CA 1.309 46.164 45.100 -0.408 0.000 0.784 996 G HN 0.737 nan 8.290 nan 0.000 0.543 997 S N -0.858 114.763 115.700 -0.132 0.000 2.733 997 S HA 0.534 5.003 4.470 -0.001 0.000 0.294 997 S C 0.808 175.401 174.600 -0.012 0.000 1.149 997 S CA 0.119 58.265 58.200 -0.090 0.000 1.034 997 S CB 1.373 64.555 63.200 -0.030 0.000 1.015 997 S HN 0.231 nan 8.310 nan 0.000 0.486 998 G N 2.644 111.439 108.800 -0.009 0.000 3.042 998 G HA2 0.382 4.341 3.960 -0.001 0.000 0.212 998 G HA3 0.382 4.341 3.960 -0.001 0.000 0.212 998 G C 0.979 175.916 174.900 0.062 0.000 1.166 998 G CA 0.414 45.534 45.100 0.034 0.000 0.767 998 G HN 0.874 nan 8.290 nan 0.000 0.546 999 A N -0.028 122.819 122.820 0.044 0.000 2.014 999 A HA 0.195 4.514 4.320 -0.001 0.000 0.210 999 A C 2.079 179.840 177.584 0.294 0.000 1.188 999 A CA 0.641 52.747 52.037 0.115 0.000 0.731 999 A CB -0.052 18.826 19.000 -0.203 0.000 0.858 999 A HN 0.314 nan 8.150 nan 0.000 0.464 1000 Q N 0.177 120.149 119.800 0.287 0.000 2.170 1000 Q HA -0.202 4.137 4.340 -0.001 0.000 0.203 1000 Q C 1.621 177.684 176.000 0.106 0.000 0.976 1000 Q CA 1.503 57.418 55.803 0.186 0.000 0.858 1000 Q CB -0.220 28.580 28.738 0.102 0.000 0.907 1000 Q HN 0.646 nan 8.270 nan 0.000 0.433 1001 N N 0.830 119.597 118.700 0.112 0.000 2.007 1001 N HA -0.179 4.560 4.740 -0.001 0.000 0.197 1001 N C 1.465 177.058 175.510 0.138 0.000 1.050 1001 N CA 1.837 54.947 53.050 0.101 0.000 0.856 1001 N CB -0.389 38.151 38.487 0.088 0.000 1.050 1001 N HN 0.260 nan 8.380 nan 0.000 0.423 1002 A N -0.202 122.733 122.820 0.191 0.000 2.167 1002 A HA 0.076 4.395 4.320 -0.001 0.000 0.214 1002 A C 2.244 180.023 177.584 0.326 0.000 1.151 1002 A CA 0.503 52.689 52.037 0.248 0.000 0.735 1002 A CB -0.436 18.718 19.000 0.257 0.000 0.802 1002 A HN 0.177 nan 8.150 nan 0.000 0.467 1003 V N -0.619 119.453 119.914 0.263 0.000 2.346 1003 V HA 0.015 4.135 4.120 -0.001 0.000 0.244 1003 V C 2.080 178.239 176.094 0.107 0.000 1.037 1003 V CA 2.307 64.710 62.300 0.172 0.000 1.029 1003 V CB -0.100 31.623 31.823 -0.167 0.000 0.663 1003 V HN 0.501 nan 8.190 nan 0.000 0.454 1004 G N -2.139 106.699 108.800 0.064 0.000 3.159 1004 G HA2 0.030 3.989 3.960 -0.001 0.000 0.232 1004 G HA3 0.030 3.989 3.960 -0.001 0.000 0.232 1004 G C 1.310 176.264 174.900 0.090 0.000 1.116 1004 G CA 0.765 45.895 45.100 0.051 0.000 0.767 1004 G HN 0.457 nan 8.290 nan 0.000 0.547 1005 T N 0.660 115.292 114.554 0.129 0.000 2.857 1005 T HA -0.013 4.336 4.350 -0.001 0.000 0.266 1005 T C 2.458 177.262 174.700 0.174 0.000 1.048 1005 T CA 1.222 63.409 62.100 0.144 0.000 1.139 1005 T CB -0.123 68.840 68.868 0.158 0.000 0.874 1005 T HN 0.274 nan 8.240 nan 0.000 0.455 1006 G N 0.650 109.581 108.800 0.219 0.000 2.534 1006 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.217 1006 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.217 1006 G C 1.516 176.404 174.900 -0.020 0.000 1.128 1006 G CA 0.374 45.545 45.100 0.118 0.000 0.784 1006 G HN 0.421 nan 8.290 nan 0.000 0.542 1007 V N 1.675 121.613 119.914 0.040 0.000 2.300 1007 V HA -0.105 4.014 4.120 -0.001 0.000 0.241 1007 V C 2.819 178.942 176.094 0.047 0.000 1.034 1007 V CA 2.057 64.384 62.300 0.045 0.000 1.021 1007 V CB -0.422 31.475 31.823 0.123 0.000 0.662 1007 V HN 0.552 nan 8.190 nan 0.000 0.458 1008 M N 1.126 120.774 119.600 0.079 0.000 2.159 1008 M HA 0.053 4.532 4.480 -0.001 0.000 0.263 1008 M C 2.006 178.329 176.300 0.038 0.000 1.063 1008 M CA 2.513 57.853 55.300 0.068 0.000 1.110 1008 M CB -1.296 31.348 32.600 0.072 0.000 1.374 1008 M HN 0.160 nan 8.290 nan 0.000 0.411 1009 G N 0.337 109.168 108.800 0.051 0.000 2.394 1009 G HA2 0.038 3.997 3.960 -0.001 0.000 0.214 1009 G HA3 0.038 3.997 3.960 -0.001 0.000 0.214 1009 G C 1.557 176.466 174.900 0.016 0.000 1.176 1009 G CA 0.526 45.654 45.100 0.048 0.000 0.786 1009 G HN 0.621 nan 8.290 nan 0.000 0.533 1010 G N -0.160 108.640 108.800 -0.000 0.000 2.586 1010 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.215 1010 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.215 1010 G C 1.597 176.452 174.900 -0.076 0.000 1.128 1010 G CA 0.654 45.727 45.100 -0.046 0.000 0.774 1010 G HN 0.256 nan 8.290 nan 0.000 0.543 1011 M N 0.459 120.018 119.600 -0.068 0.000 2.369 1011 M HA 0.050 4.529 4.480 -0.001 0.000 0.254 1011 M C 2.937 179.184 176.300 -0.089 0.000 1.136 1011 M CA 0.888 56.125 55.300 -0.105 0.000 1.190 1011 M CB -0.734 31.814 32.600 -0.087 0.000 1.289 1011 M HN 0.185 nan 8.290 nan 0.000 0.468 1012 V N -1.343 118.536 119.914 -0.057 0.000 2.688 1012 V HA -0.162 3.957 4.120 -0.001 0.000 0.256 1012 V C 2.017 178.058 176.094 -0.089 0.000 1.084 1012 V CA 2.122 64.384 62.300 -0.062 0.000 1.103 1012 V CB -2.428 29.372 31.823 -0.038 0.000 0.688 1012 V HN 0.607 nan 8.190 nan 0.000 0.480 1013 T N -2.836 111.672 114.554 -0.078 0.000 3.100 1013 T HA 0.499 4.848 4.350 -0.001 0.000 0.253 1013 T C 1.236 175.874 174.700 -0.103 0.000 1.118 1013 T CA 0.769 62.818 62.100 -0.085 0.000 1.058 1013 T CB 0.297 69.139 68.868 -0.044 0.000 0.953 1013 T HN 0.889 nan 8.240 nan 0.000 0.515 1014 A N -0.326 122.425 122.820 -0.116 0.000 2.624 1014 A HA 0.560 4.879 4.320 -0.001 0.000 0.287 1014 A C 1.519 179.009 177.584 -0.156 0.000 1.087 1014 A CA 0.062 52.018 52.037 -0.134 0.000 0.964 1014 A CB 0.245 19.171 19.000 -0.123 0.000 1.231 1014 A HN 0.352 nan 8.150 nan 0.000 0.551 1015 T N -1.708 112.755 114.554 -0.153 0.000 2.975 1015 T HA 0.209 4.558 4.350 -0.001 0.000 0.261 1015 T C 1.044 175.648 174.700 -0.160 0.000 0.984 1015 T CA 1.361 63.376 62.100 -0.142 0.000 0.911 1015 T CB 0.200 69.003 68.868 -0.108 0.000 1.127 1015 T HN 0.043 nan 8.240 nan 0.000 0.514 1016 V N 0.420 120.209 119.914 -0.209 0.000 3.219 1016 V HA 0.336 4.455 4.120 -0.001 0.000 0.240 1016 V C 1.646 177.419 176.094 -0.535 0.000 1.222 1016 V CA 0.330 62.450 62.300 -0.300 0.000 1.181 1016 V CB 0.281 31.991 31.823 -0.187 0.000 0.941 1016 V HN 0.233 nan 8.190 nan 0.000 0.471 1017 L N 0.480 121.480 121.223 -0.372 0.000 2.591 1017 L HA 0.322 4.661 4.340 -0.001 0.000 0.228 1017 L C 2.051 178.783 176.870 -0.230 0.000 1.133 1017 L CA 1.387 56.035 54.840 -0.319 0.000 0.880 1017 L CB -0.304 41.631 42.059 -0.207 0.000 1.033 1017 L HN 0.310 nan 8.230 nan 0.000 0.450 1018 A N -0.731 121.923 122.820 -0.275 0.000 1.970 1018 A HA 0.078 4.397 4.320 -0.001 0.000 0.204 1018 A C 2.098 179.489 177.584 -0.323 0.000 1.325 1018 A CA 0.284 52.167 52.037 -0.257 0.000 0.767 1018 A CB -0.437 18.442 19.000 -0.202 0.000 0.949 1018 A HN 0.200 nan 8.150 nan 0.000 0.481 1019 I N -0.379 120.013 120.570 -0.297 0.000 2.143 1019 I HA -0.365 3.804 4.170 -0.001 0.000 0.245 1019 I C 2.004 178.088 176.117 -0.055 0.000 1.068 1019 I CA 2.866 64.072 61.300 -0.158 0.000 1.326 1019 I CB -0.080 37.901 38.000 -0.033 0.000 1.028 1019 I HN 0.528 nan 8.210 nan 0.000 0.412 1020 F N -2.102 117.915 119.950 0.113 0.000 2.496 1020 F HA 0.353 4.879 4.527 -0.002 0.000 0.274 1020 F C 0.816 176.655 175.800 0.065 0.000 0.924 1020 F CA -0.880 57.241 58.000 0.201 0.000 1.147 1020 F CB -1.129 38.125 39.000 0.424 0.000 0.969 1020 F HN -0.261 nan 8.300 nan 0.000 0.749 1021 F N 2.635 122.397 119.950 -0.313 0.000 2.646 1021 F HA 0.180 4.706 4.527 -0.002 0.000 0.363 1021 F C 1.546 177.080 175.800 -0.444 0.000 1.143 1021 F CA 0.720 58.566 58.000 -0.257 0.000 1.356 1021 F CB 0.562 39.392 39.000 -0.284 0.000 1.055 1021 F HN 0.118 nan 8.300 nan 0.000 0.606 1022 V N 1.023 120.489 119.914 -0.747 0.000 0.696 1022 V HA -0.436 3.683 4.120 -0.001 0.000 0.092 1022 V C -1.129 174.278 176.094 -1.146 0.000 0.790 1022 V CA 1.120 62.788 62.300 -1.054 0.000 3.098 1022 V CB -2.417 29.121 31.823 -0.475 0.000 0.200 1022 V HN 0.736 nan 8.190 nan 0.000 0.102 1023 P HA -0.094 nan 4.420 nan 0.000 0.207 1023 P C 0.630 177.744 177.300 -0.309 0.000 0.926 1023 P CA 1.737 64.518 63.100 -0.533 0.000 0.982 1023 P CB -0.254 31.193 31.700 -0.422 0.000 0.686 1024 V N 1.147 120.886 119.914 -0.290 0.000 2.810 1024 V HA -0.208 3.911 4.120 -0.001 0.000 0.290 1024 V C 0.904 176.796 176.094 -0.337 0.000 1.029 1024 V CA 1.748 63.854 62.300 -0.322 0.000 1.219 1024 V CB -2.173 29.383 31.823 -0.445 0.000 0.829 1024 V HN 0.399 nan 8.190 nan 0.000 0.457 1025 F N 1.317 121.329 119.950 0.103 0.000 2.074 1025 F HA -0.200 4.327 4.527 -0.001 0.000 0.590 1025 F C 0.912 176.871 175.800 0.264 0.000 0.497 1025 F CA 0.056 58.161 58.000 0.176 0.000 1.812 1025 F CB -1.248 37.868 39.000 0.193 0.000 2.611 1025 F HN 0.406 nan 8.300 nan 0.000 0.248 1026 F N 1.633 121.625 119.950 0.071 0.000 2.693 1026 F HA 0.206 4.732 4.527 -0.001 0.000 0.303 1026 F C 1.706 177.493 175.800 -0.022 0.000 1.143 1026 F CA 0.503 58.502 58.000 -0.001 0.000 1.389 1026 F CB -0.798 38.159 39.000 -0.072 0.000 1.060 1026 F HN 0.013 nan 8.300 nan 0.000 0.535 1027 V N -3.804 116.215 119.914 0.174 0.000 2.627 1027 V HA 0.025 4.144 4.120 -0.001 0.000 0.239 1027 V C 1.607 177.702 176.094 0.000 0.000 1.077 1027 V CA 0.828 63.170 62.300 0.069 0.000 1.103 1027 V CB -0.797 31.050 31.823 0.040 0.000 0.802 1027 V HN -0.028 nan 8.190 nan 0.000 0.482 1028 V N 0.360 120.280 119.914 0.011 0.000 3.235 1028 V HA 0.051 4.170 4.120 -0.001 0.000 0.259 1028 V C 2.219 178.191 176.094 -0.203 0.000 1.133 1028 V CA 1.283 63.534 62.300 -0.083 0.000 1.128 1028 V CB 0.192 32.026 31.823 0.018 0.000 0.757 1028 V HN 0.417 nan 8.190 nan 0.000 0.469 1029 V N 0.388 120.275 119.914 -0.045 0.000 2.543 1029 V HA 0.012 4.132 4.120 -0.001 0.000 0.232 1029 V C 2.392 178.495 176.094 0.014 0.000 1.087 1029 V CA 1.482 63.822 62.300 0.066 0.000 1.113 1029 V CB -0.614 31.258 31.823 0.082 0.000 0.779 1029 V HN 0.389 nan 8.190 nan 0.000 0.495 1030 R N 0.210 120.718 120.500 0.013 0.000 2.115 1030 R HA -0.088 4.251 4.340 -0.001 0.000 0.230 1030 R C 2.277 178.584 176.300 0.011 0.000 1.111 1030 R CA 1.621 57.737 56.100 0.027 0.000 0.976 1030 R CB -0.036 30.290 30.300 0.042 0.000 0.870 1030 R HN 0.385 nan 8.270 nan 0.000 0.445 1031 R N -0.775 119.711 120.500 -0.022 0.000 2.237 1031 R HA 0.113 4.452 4.340 -0.001 0.000 0.195 1031 R C 2.303 178.556 176.300 -0.079 0.000 0.956 1031 R CA 0.380 56.468 56.100 -0.019 0.000 1.029 1031 R CB 0.019 30.352 30.300 0.055 0.000 0.972 1031 R HN 0.145 nan 8.270 nan 0.000 0.493 1032 R N 0.483 120.822 120.500 -0.267 0.000 2.051 1032 R HA -0.037 4.302 4.340 -0.001 0.000 0.225 1032 R C 0.599 176.697 176.300 -0.337 0.000 1.155 1032 R CA 1.448 57.301 56.100 -0.412 0.000 0.945 1032 R CB 0.005 29.832 30.300 -0.788 0.000 0.840 1032 R HN 0.051 nan 8.270 nan 0.000 0.432 1033 F N -2.115 117.856 119.950 0.035 0.000 2.893 1033 F HA 0.362 4.888 4.527 -0.001 0.000 0.152 1033 F C 1.769 177.577 175.800 0.012 0.000 1.391 1033 F CA -0.248 57.766 58.000 0.022 0.000 0.935 1033 F CB -0.907 38.100 39.000 0.012 0.000 2.055 1033 F HN 0.072 nan 8.300 nan 0.000 0.498 1034 S N -0.686 115.237 115.700 0.372 0.000 2.443 1034 S HA -0.290 4.179 4.470 -0.001 0.000 0.241 1034 S C 1.226 175.889 174.600 0.105 0.000 1.257 1034 S CA 1.941 60.242 58.200 0.169 0.000 1.628 1034 S CB -1.094 62.174 63.200 0.113 0.000 2.116 1034 S HN 0.759 nan 8.310 nan 0.000 0.638 1035 R N 0.042 120.612 120.500 0.116 0.000 2.502 1035 R HA 0.462 4.801 4.340 -0.001 0.000 0.174 1035 R C 0.586 176.941 176.300 0.092 0.000 1.201 1035 R CA -0.110 56.037 56.100 0.078 0.000 1.151 1035 R CB 0.107 30.439 30.300 0.054 0.000 1.202 1035 R HN 0.267 nan 8.270 nan 0.000 0.509 1036 K N 0.000 120.471 120.400 0.118 0.000 2.780 1036 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1036 K CA 0.000 56.358 56.287 0.118 0.000 0.838 1036 K CB 0.000 32.561 32.500 0.101 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543