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 3jv2_1_B DATA FIRST_RESID 14 DATA SEQUENCE RTLNRYEKIA NDIDAIRGDY ENLSDDALKH KTIEFKERLE KGATTDDLLV DATA SEQUENCE EAFAVVREAS RRVTGMFPFK VQLMGGVALH DGNIAEMKTG EGKTLTSTLP DATA SEQUENCE VYLNALTGKG VHVVTVNEYL ASRDAEQMGK IFEFLGLTVG LNLNSMSKDE DATA SEQUENCE KREAYAADIT YSTNNELGFD YLRDNMVLYK EQMVQRPLHF AVIDEVDSIL DATA SEQUENCE IDEARTPLII SGQAAKSTKL YVQANAFVRT LKAEKDYTYD IKTKAVQLTE DATA SEQUENCE EGMTKAEKAF GIDNLFDVKH VALNHHINQA LKAHVAMQKD VDYVVEDGQV DATA SEQUENCE VIVDSFTGRL MKGRRYSEGL HQAIEAKEGL EIQNESMTLA TITFQNYFRM DATA SEQUENCE YEKLAGMTGT AKTEEEEFRN IYNMQVVTIP TNRPVVRDDR PDLIYRTMEG DATA SEQUENCE KFKAVAEDVA QRYMTGQPVL VGTVAVETSE LISKLLKNKG IPHQVLNAKN DATA SEQUENCE HEREAQIIEE AGQKGAVTIA TNMAGRGTDI KLGEGVKELG GLAVVGTERH DATA SEQUENCE ESRRIDNQLR GRSGRQGDPG ITQFYLSMED ELMRRFGAER TMAMLDRFGM DATA SEQUENCE DDSTPIQSKM VSRAVESSQK RVEGNNFDSR KQLLQYDDVL RQQREVIYKQ DATA SEQUENCE RFEVIDSENL REIVENMIKS SLERAIAAYT PREEXXXXWK LDGLVDLINT DATA SEQUENCE TYLDEGALEK SDIFGKEPDE MLELIMDRII TKYNEKEEQF GKEQMREFEK DATA SEQUENCE VIVLRAVDSK WMDHIDAMDQ LRQGIHLRAY AQTNPLREYQ MEGFAMFEHM DATA SEQUENCE IESIEDEVAK FVMKAE 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 14 R HA 0.000 nan 4.340 nan 0.000 0.208 14 R C 0.000 176.305 176.300 0.008 0.000 0.893 14 R CA 0.000 56.104 56.100 0.007 0.000 0.921 14 R CB 0.000 30.304 30.300 0.007 0.000 0.687 15 T N 2.926 117.485 114.554 0.007 0.000 2.866 15 T HA 0.142 4.493 4.350 0.001 0.000 0.293 15 T C 0.793 175.499 174.700 0.010 0.000 1.005 15 T CA 0.328 62.432 62.100 0.006 0.000 1.162 15 T CB 0.616 69.486 68.868 0.004 0.000 0.968 15 T HN 0.162 nan 8.240 nan 0.000 0.530 16 L N 4.293 125.523 121.223 0.011 0.000 2.417 16 L HA 0.304 4.644 4.340 0.001 0.000 0.268 16 L C 1.123 178.002 176.870 0.015 0.000 1.158 16 L CA -0.871 53.979 54.840 0.017 0.000 0.819 16 L CB 0.418 42.488 42.059 0.018 0.000 1.112 16 L HN 0.694 nan 8.230 nan 0.000 0.458 17 N N 2.633 121.352 118.700 0.033 0.000 2.495 17 N HA 0.108 4.848 4.740 0.001 0.000 0.280 17 N C 0.793 176.298 175.510 -0.009 0.000 1.168 17 N CA -0.576 52.492 53.050 0.030 0.000 0.978 17 N CB 0.917 39.455 38.487 0.085 0.000 1.191 17 N HN 0.579 nan 8.380 nan 0.000 0.497 18 R N 0.877 121.312 120.500 -0.108 0.000 2.196 18 R HA -0.283 4.058 4.340 0.001 0.000 0.259 18 R C 1.048 177.188 176.300 -0.266 0.000 1.154 18 R CA 2.198 58.147 56.100 -0.250 0.000 0.976 18 R CB -0.544 29.498 30.300 -0.430 0.000 0.888 18 R HN 0.735 nan 8.270 nan 0.000 0.453 19 Y N 0.312 120.607 120.300 -0.009 0.000 2.220 19 Y HA -0.085 4.465 4.550 0.001 0.000 0.291 19 Y C 2.371 178.272 175.900 0.001 0.000 1.129 19 Y CA 1.559 59.657 58.100 -0.004 0.000 1.161 19 Y CB -0.206 38.255 38.460 0.003 0.000 0.997 19 Y HN 0.221 nan 8.280 nan 0.000 0.522 20 E N 0.687 120.976 120.200 0.149 0.000 2.077 20 E HA -0.204 4.146 4.350 0.001 0.000 0.193 20 E C 1.997 178.626 176.600 0.048 0.000 0.989 20 E CA 1.207 57.660 56.400 0.088 0.000 0.800 20 E CB -0.227 29.515 29.700 0.069 0.000 0.746 20 E HN 0.467 nan 8.360 nan 0.000 0.452 21 K N 0.738 121.149 120.400 0.018 0.000 2.020 21 K HA -0.181 4.139 4.320 0.001 0.000 0.212 21 K C 2.246 178.842 176.600 -0.006 0.000 1.050 21 K CA 1.410 57.695 56.287 -0.005 0.000 0.929 21 K CB -0.284 32.196 32.500 -0.034 0.000 0.714 21 K HN 0.152 nan 8.250 nan 0.000 0.443 22 I N 0.762 121.319 120.570 -0.022 0.000 2.252 22 I HA -0.263 3.908 4.170 0.001 0.000 0.245 22 I C 2.542 178.660 176.117 0.002 0.000 1.102 22 I CA 0.909 62.188 61.300 -0.035 0.000 1.385 22 I CB -0.412 37.541 38.000 -0.078 0.000 1.064 22 I HN 0.184 nan 8.210 nan 0.000 0.414 23 A N 1.194 124.038 122.820 0.040 0.000 1.892 23 A HA -0.292 4.029 4.320 0.001 0.000 0.218 23 A C 2.031 179.645 177.584 0.050 0.000 1.188 23 A CA 2.453 54.527 52.037 0.060 0.000 0.631 23 A CB -1.200 17.847 19.000 0.078 0.000 0.822 23 A HN 0.521 nan 8.150 nan 0.000 0.447 24 N N -0.235 118.492 118.700 0.044 0.000 2.104 24 N HA -0.165 4.575 4.740 0.001 0.000 0.190 24 N C 0.876 176.412 175.510 0.045 0.000 1.024 24 N CA 1.251 54.328 53.050 0.045 0.000 0.853 24 N CB -0.264 38.245 38.487 0.037 0.000 1.008 24 N HN 0.421 nan 8.380 nan 0.000 0.424 25 D N 0.491 120.910 120.400 0.031 0.000 2.309 25 D HA -0.053 4.588 4.640 0.001 0.000 0.212 25 D C 1.552 177.880 176.300 0.047 0.000 0.968 25 D CA 0.743 54.761 54.000 0.030 0.000 0.882 25 D CB 0.018 40.820 40.800 0.003 0.000 0.918 25 D HN 0.408 nan 8.370 nan 0.000 0.503 26 I N -0.386 120.212 120.570 0.048 0.000 3.462 26 I HA -0.048 4.123 4.170 0.001 0.000 0.290 26 I C 1.587 177.751 176.117 0.077 0.000 1.236 26 I CA 0.361 61.697 61.300 0.059 0.000 1.418 26 I CB 0.288 38.323 38.000 0.058 0.000 1.102 26 I HN -0.221 nan 8.210 nan 0.000 0.441 27 D N 1.097 121.544 120.400 0.078 0.000 2.289 27 D HA -0.008 4.633 4.640 0.001 0.000 0.207 27 D C 2.166 178.535 176.300 0.115 0.000 0.966 27 D CA 0.985 55.048 54.000 0.104 0.000 0.868 27 D CB 0.321 41.177 40.800 0.093 0.000 0.943 27 D HN 0.249 nan 8.370 nan 0.000 0.514 28 A N 0.519 123.398 122.820 0.098 0.000 1.930 28 A HA 0.036 4.356 4.320 0.001 0.000 0.215 28 A C 1.988 179.641 177.584 0.115 0.000 1.176 28 A CA 0.862 52.955 52.037 0.092 0.000 0.632 28 A CB -0.672 18.370 19.000 0.070 0.000 0.819 28 A HN 0.456 nan 8.150 nan 0.000 0.445 29 I N -2.983 117.677 120.570 0.149 0.000 3.812 29 I HA 0.280 4.450 4.170 0.001 0.000 0.319 29 I C 1.560 177.859 176.117 0.303 0.000 1.353 29 I CA 0.033 61.457 61.300 0.207 0.000 1.170 29 I CB -0.130 38.026 38.000 0.259 0.000 1.057 29 I HN 0.243 nan 8.210 nan 0.000 0.411 30 R N 1.947 122.592 120.500 0.241 0.000 2.083 30 R HA -0.117 4.224 4.340 0.001 0.000 0.237 30 R C 2.188 178.651 176.300 0.271 0.000 1.137 30 R CA 2.017 58.287 56.100 0.282 0.000 0.951 30 R CB -0.608 29.838 30.300 0.244 0.000 0.851 30 R HN 0.536 nan 8.270 nan 0.000 0.434 31 G N 0.217 109.117 108.800 0.167 0.000 2.448 31 G HA2 -0.217 3.744 3.960 0.001 0.000 0.219 31 G HA3 -0.217 3.744 3.960 0.001 0.000 0.219 31 G C 0.631 175.564 174.900 0.055 0.000 1.127 31 G CA 0.809 45.967 45.100 0.097 0.000 0.766 31 G HN 0.373 nan 8.290 nan 0.000 0.552 32 D N -0.909 119.508 120.400 0.029 0.000 2.392 32 D HA 0.024 4.664 4.640 0.001 0.000 0.228 32 D C 0.833 176.817 176.300 -0.526 0.000 1.003 32 D CA 0.639 54.491 54.000 -0.247 0.000 0.917 32 D CB 0.014 40.604 40.800 -0.350 0.000 0.890 32 D HN 0.575 nan 8.370 nan 0.000 0.532 33 Y N -0.719 119.626 120.300 0.075 0.000 2.476 33 Y HA 0.090 4.641 4.550 0.001 0.000 0.274 33 Y C 1.728 177.667 175.900 0.065 0.000 1.120 33 Y CA -0.349 57.801 58.100 0.082 0.000 1.214 33 Y CB 0.175 38.703 38.460 0.114 0.000 1.285 33 Y HN -0.047 nan 8.280 nan 0.000 0.520 34 E N 0.037 120.343 120.200 0.176 0.000 2.516 34 E HA -0.051 4.299 4.350 0.001 0.000 0.199 34 E C 0.467 177.094 176.600 0.045 0.000 1.069 34 E CA 0.868 57.319 56.400 0.086 0.000 0.876 34 E CB -0.089 29.628 29.700 0.028 0.000 0.843 34 E HN 0.332 nan 8.360 nan 0.000 0.530 35 N N 0.229 118.954 118.700 0.043 0.000 2.332 35 N HA 0.141 4.882 4.740 0.001 0.000 0.190 35 N C 0.008 175.531 175.510 0.022 0.000 1.117 35 N CA -0.007 53.054 53.050 0.018 0.000 0.883 35 N CB 0.513 39.000 38.487 0.000 0.000 1.089 35 N HN 0.089 nan 8.380 nan 0.000 0.480 36 L N 1.576 122.820 121.223 0.034 0.000 2.467 36 L HA 0.113 4.454 4.340 0.001 0.000 0.270 36 L C 1.350 178.254 176.870 0.057 0.000 1.205 36 L CA -0.170 54.691 54.840 0.036 0.000 0.828 36 L CB 0.270 42.357 42.059 0.046 0.000 1.101 36 L HN 0.026 nan 8.230 nan 0.000 0.479 37 S N -0.081 115.644 115.700 0.043 0.000 2.608 37 S HA 0.080 4.551 4.470 0.001 0.000 0.261 37 S C 0.681 175.331 174.600 0.083 0.000 1.314 37 S CA -0.512 57.719 58.200 0.052 0.000 0.992 37 S CB 0.628 63.844 63.200 0.026 0.000 0.935 37 S HN 0.635 nan 8.310 nan 0.000 0.564 38 D N 0.881 121.342 120.400 0.101 0.000 2.123 38 D HA -0.098 4.542 4.640 0.001 0.000 0.196 38 D C 1.425 177.716 176.300 -0.014 0.000 0.992 38 D CA 1.445 55.522 54.000 0.129 0.000 0.833 38 D CB -0.494 40.398 40.800 0.154 0.000 0.954 38 D HN 0.602 nan 8.370 nan 0.000 0.455 39 D N 0.578 120.965 120.400 -0.022 0.000 2.097 39 D HA -0.113 4.528 4.640 0.001 0.000 0.195 39 D C 2.059 178.359 176.300 -0.000 0.000 0.989 39 D CA 1.392 55.369 54.000 -0.038 0.000 0.827 39 D CB -0.351 40.429 40.800 -0.033 0.000 0.966 39 D HN 0.145 nan 8.370 nan 0.000 0.456 40 A N 0.752 123.579 122.820 0.012 0.000 1.902 40 A HA -0.155 4.166 4.320 0.001 0.000 0.217 40 A C 2.169 179.804 177.584 0.086 0.000 1.181 40 A CA 1.124 53.178 52.037 0.029 0.000 0.623 40 A CB -0.683 18.323 19.000 0.010 0.000 0.818 40 A HN 0.243 nan 8.150 nan 0.000 0.443 41 L N -0.173 121.108 121.223 0.097 0.000 2.027 41 L HA -0.086 4.254 4.340 0.001 0.000 0.206 41 L C 2.162 179.090 176.870 0.097 0.000 1.074 41 L CA 2.251 57.180 54.840 0.147 0.000 0.745 41 L CB -0.601 41.598 42.059 0.234 0.000 0.898 41 L HN 0.332 nan 8.230 nan 0.000 0.433 42 K N -1.308 119.088 120.400 -0.006 0.000 2.152 42 K HA -0.243 4.078 4.320 0.001 0.000 0.206 42 K C 2.189 178.794 176.600 0.008 0.000 1.048 42 K CA 1.394 57.626 56.287 -0.091 0.000 0.933 42 K CB -0.461 31.884 32.500 -0.258 0.000 0.721 42 K HN 0.545 nan 8.250 nan 0.000 0.447 43 H N 1.135 120.174 119.070 -0.052 0.000 2.457 43 H HA -0.027 4.529 4.556 0.001 0.000 0.294 43 H C 1.464 176.747 175.328 -0.074 0.000 1.064 43 H CA 1.001 57.020 56.048 -0.048 0.000 1.330 43 H CB 0.429 30.163 29.762 -0.047 0.000 1.395 43 H HN -0.036 nan 8.280 nan 0.000 0.541 44 K N 0.244 120.567 120.400 -0.128 0.000 2.286 44 K HA -0.085 4.235 4.320 0.001 0.000 0.203 44 K C 1.911 178.237 176.600 -0.457 0.000 1.045 44 K CA 1.128 57.190 56.287 -0.375 0.000 0.935 44 K CB -0.248 32.080 32.500 -0.288 0.000 0.737 44 K HN 0.382 nan 8.250 nan 0.000 0.460 45 T N 1.687 116.177 114.554 -0.107 0.000 2.812 45 T HA -0.035 4.316 4.350 0.001 0.000 0.264 45 T C 1.864 176.540 174.700 -0.040 0.000 1.042 45 T CA 0.541 62.696 62.100 0.092 0.000 1.140 45 T CB 0.038 69.033 68.868 0.210 0.000 0.870 45 T HN 0.018 nan 8.240 nan 0.000 0.445 46 I N 1.566 122.024 120.570 -0.186 0.000 2.226 46 I HA -0.116 4.054 4.170 0.001 0.000 0.245 46 I C 2.557 178.532 176.117 -0.237 0.000 1.100 46 I CA 1.375 62.547 61.300 -0.214 0.000 1.374 46 I CB -1.046 36.779 38.000 -0.293 0.000 1.057 46 I HN 0.438 nan 8.210 nan 0.000 0.413 47 E N 0.946 120.900 120.200 -0.410 0.000 2.031 47 E HA -0.234 4.116 4.350 0.001 0.000 0.193 47 E C 2.479 179.053 176.600 -0.044 0.000 0.994 47 E CA 1.412 57.656 56.400 -0.260 0.000 0.800 47 E CB -0.324 29.176 29.700 -0.335 0.000 0.752 47 E HN 0.426 nan 8.360 nan 0.000 0.447 48 F N 1.022 120.965 119.950 -0.012 0.000 2.095 48 F HA -0.199 4.329 4.527 0.001 0.000 0.298 48 F C 2.607 178.392 175.800 -0.024 0.000 1.104 48 F CA 0.989 58.992 58.000 0.006 0.000 1.232 48 F CB -0.085 38.932 39.000 0.027 0.000 0.987 48 F HN -0.007 nan 8.300 nan 0.000 0.475 49 K N 0.475 120.964 120.400 0.148 0.000 2.044 49 K HA -0.238 4.083 4.320 0.001 0.000 0.210 49 K C 1.794 178.422 176.600 0.046 0.000 1.049 49 K CA 1.958 58.281 56.287 0.061 0.000 0.927 49 K CB -0.362 32.152 32.500 0.023 0.000 0.713 49 K HN 0.342 nan 8.250 nan 0.000 0.443 50 E N 0.282 120.503 120.200 0.036 0.000 2.097 50 E HA -0.209 4.142 4.350 0.001 0.000 0.196 50 E C 2.033 178.660 176.600 0.045 0.000 1.000 50 E CA 1.210 57.629 56.400 0.031 0.000 0.804 50 E CB -0.004 29.709 29.700 0.022 0.000 0.740 50 E HN 0.264 nan 8.360 nan 0.000 0.454 51 R N 0.256 120.800 120.500 0.073 0.000 2.148 51 R HA -0.031 4.309 4.340 0.001 0.000 0.223 51 R C 2.434 178.762 176.300 0.047 0.000 1.088 51 R CA 0.570 56.712 56.100 0.071 0.000 0.985 51 R CB -0.257 30.110 30.300 0.112 0.000 0.880 51 R HN 0.226 nan 8.270 nan 0.000 0.451 52 L N 0.816 122.064 121.223 0.042 0.000 2.005 52 L HA -0.142 4.198 4.340 0.001 0.000 0.207 52 L C 2.552 179.428 176.870 0.010 0.000 1.072 52 L CA 1.430 56.280 54.840 0.016 0.000 0.744 52 L CB -0.412 41.650 42.059 0.006 0.000 0.895 52 L HN 0.212 nan 8.230 nan 0.000 0.433 53 E N 0.395 120.602 120.200 0.012 0.000 2.409 53 E HA -0.246 4.104 4.350 0.001 0.000 0.198 53 E C 2.071 178.677 176.600 0.010 0.000 1.024 53 E CA 0.706 57.110 56.400 0.007 0.000 0.861 53 E CB 0.205 29.909 29.700 0.007 0.000 0.788 53 E HN 0.284 nan 8.360 nan 0.000 0.521 54 K N -1.319 119.090 120.400 0.016 0.000 2.243 54 K HA -0.005 4.315 4.320 0.001 0.000 0.201 54 K C 1.179 177.786 176.600 0.013 0.000 1.051 54 K CA 1.205 57.502 56.287 0.017 0.000 0.970 54 K CB 0.350 32.865 32.500 0.024 0.000 0.755 54 K HN 0.194 nan 8.250 nan 0.000 0.465 55 G N -0.707 108.099 108.800 0.011 0.000 3.509 55 G HA2 -0.006 3.954 3.960 0.001 0.000 0.220 55 G HA3 -0.006 3.954 3.960 0.001 0.000 0.220 55 G C -0.214 174.687 174.900 0.002 0.000 0.951 55 G CA -0.097 45.006 45.100 0.005 0.000 0.844 55 G HN 0.406 nan 8.290 nan 0.000 0.568 56 A N 1.290 124.114 122.820 0.005 0.000 2.462 56 A HA 0.634 4.955 4.320 0.001 0.000 0.243 56 A C 0.948 178.523 177.584 -0.015 0.000 1.076 56 A CA 1.199 53.234 52.037 -0.003 0.000 0.773 56 A CB 0.086 19.090 19.000 0.005 0.000 1.010 56 A HN 1.453 nan 8.150 nan 0.000 0.493 57 T N -1.253 113.286 114.554 -0.025 0.000 2.927 57 T HA 0.447 4.797 4.350 0.001 0.000 0.281 57 T C 1.382 176.054 174.700 -0.048 0.000 0.998 57 T CA 0.127 62.211 62.100 -0.028 0.000 1.019 57 T CB 0.884 69.739 68.868 -0.022 0.000 1.061 57 T HN 1.020 nan 8.240 nan 0.000 0.518 58 T N -0.865 113.669 114.554 -0.032 0.000 2.720 58 T HA -0.170 4.181 4.350 0.001 0.000 0.268 58 T C 1.306 175.927 174.700 -0.131 0.000 1.037 58 T CA 1.501 63.565 62.100 -0.060 0.000 1.144 58 T CB -0.778 68.129 68.868 0.065 0.000 0.864 58 T HN 0.638 nan 8.240 nan 0.000 0.444 59 D N 1.848 122.224 120.400 -0.039 0.000 2.106 59 D HA -0.128 4.513 4.640 0.001 0.000 0.191 59 D C 2.010 178.226 176.300 -0.139 0.000 0.997 59 D CA 1.497 55.452 54.000 -0.076 0.000 0.834 59 D CB -0.570 40.220 40.800 -0.017 0.000 0.956 59 D HN 0.386 nan 8.370 nan 0.000 0.448 60 D N 0.402 120.743 120.400 -0.099 0.000 2.126 60 D HA -0.157 4.484 4.640 0.001 0.000 0.190 60 D C 1.917 178.144 176.300 -0.123 0.000 1.001 60 D CA 0.986 54.933 54.000 -0.089 0.000 0.841 60 D CB -0.217 40.549 40.800 -0.056 0.000 0.949 60 D HN 0.316 nan 8.370 nan 0.000 0.446 61 L N -0.834 120.285 121.223 -0.174 0.000 2.700 61 L HA 0.332 4.673 4.340 0.001 0.000 0.234 61 L C 1.733 178.398 176.870 -0.341 0.000 1.156 61 L CA 0.153 54.848 54.840 -0.242 0.000 0.946 61 L CB -0.581 41.299 42.059 -0.298 0.000 1.216 61 L HN -0.111 nan 8.230 nan 0.000 0.493 62 L N -0.634 120.379 121.223 -0.349 0.000 2.042 62 L HA -0.152 4.189 4.340 0.001 0.000 0.210 62 L C 2.249 178.863 176.870 -0.428 0.000 1.076 62 L CA 1.423 55.968 54.840 -0.491 0.000 0.749 62 L CB -0.015 41.639 42.059 -0.676 0.000 0.893 62 L HN 0.225 nan 8.230 nan 0.000 0.432 63 V N 0.210 119.951 119.914 -0.288 0.000 2.295 63 V HA -0.288 3.832 4.120 0.001 0.000 0.246 63 V C 2.415 178.482 176.094 -0.045 0.000 1.049 63 V CA 2.289 64.493 62.300 -0.161 0.000 1.024 63 V CB -0.645 31.124 31.823 -0.089 0.000 0.648 63 V HN 0.523 nan 8.190 nan 0.000 0.447 64 E N 0.338 120.522 120.200 -0.026 0.000 2.072 64 E HA -0.123 4.228 4.350 0.001 0.000 0.190 64 E C 2.347 178.995 176.600 0.081 0.000 0.982 64 E CA 1.165 57.633 56.400 0.112 0.000 0.803 64 E CB -0.363 29.512 29.700 0.292 0.000 0.755 64 E HN 0.580 nan 8.360 nan 0.000 0.453 65 A N 1.007 123.751 122.820 -0.126 0.000 1.908 65 A HA -0.180 4.140 4.320 0.001 0.000 0.218 65 A C 1.863 179.622 177.584 0.293 0.000 1.181 65 A CA 1.172 53.252 52.037 0.073 0.000 0.627 65 A CB -0.640 18.322 19.000 -0.063 0.000 0.818 65 A HN 0.154 nan 8.150 nan 0.000 0.445 66 F N 0.066 119.974 119.950 -0.070 0.000 2.234 66 F HA -0.019 4.508 4.527 0.001 0.000 0.299 66 F C 2.737 178.444 175.800 -0.156 0.000 1.087 66 F CA 0.292 58.242 58.000 -0.084 0.000 1.340 66 F CB -0.816 38.132 39.000 -0.087 0.000 1.031 66 F HN 0.274 nan 8.300 nan 0.000 0.500 67 A N -0.419 122.381 122.820 -0.033 0.000 1.930 67 A HA -0.086 4.234 4.320 0.001 0.000 0.217 67 A C 2.442 179.794 177.584 -0.387 0.000 1.175 67 A CA 1.585 53.468 52.037 -0.257 0.000 0.627 67 A CB -1.151 17.600 19.000 -0.414 0.000 0.815 67 A HN 0.143 nan 8.150 nan 0.000 0.443 68 V N -0.335 119.372 119.914 -0.345 0.000 2.255 68 V HA -0.256 3.864 4.120 0.001 0.000 0.247 68 V C 2.634 178.630 176.094 -0.164 0.000 1.051 68 V CA 2.230 64.423 62.300 -0.179 0.000 1.018 68 V CB -0.737 31.163 31.823 0.129 0.000 0.641 68 V HN 0.516 nan 8.190 nan 0.000 0.445 69 V N 0.302 120.068 119.914 -0.248 0.000 2.453 69 V HA -0.216 3.905 4.120 0.001 0.000 0.247 69 V C 2.552 178.487 176.094 -0.265 0.000 1.048 69 V CA 2.414 64.522 62.300 -0.320 0.000 1.049 69 V CB -0.581 30.999 31.823 -0.405 0.000 0.672 69 V HN 0.576 nan 8.190 nan 0.000 0.457 70 R N 0.165 120.505 120.500 -0.266 0.000 2.096 70 R HA -0.267 4.073 4.340 0.001 0.000 0.240 70 R C 2.319 178.547 176.300 -0.119 0.000 1.139 70 R CA 2.521 58.426 56.100 -0.326 0.000 0.952 70 R CB -0.526 29.523 30.300 -0.418 0.000 0.854 70 R HN 0.654 nan 8.270 nan 0.000 0.436 71 E N 0.105 120.318 120.200 0.022 0.000 2.077 71 E HA -0.110 4.240 4.350 0.001 0.000 0.193 71 E C 1.744 178.352 176.600 0.013 0.000 0.989 71 E CA 1.699 58.198 56.400 0.166 0.000 0.800 71 E CB -0.273 29.519 29.700 0.153 0.000 0.746 71 E HN 0.477 nan 8.360 nan 0.000 0.452 72 A N -0.032 122.734 122.820 -0.091 0.000 1.902 72 A HA -0.185 4.136 4.320 0.001 0.000 0.217 72 A C 2.416 179.797 177.584 -0.339 0.000 1.181 72 A CA 1.976 53.860 52.037 -0.256 0.000 0.623 72 A CB -1.100 17.797 19.000 -0.173 0.000 0.818 72 A HN 0.339 nan 8.150 nan 0.000 0.443 73 S N -0.648 114.906 115.700 -0.243 0.000 2.370 73 S HA -0.245 4.225 4.470 0.001 0.000 0.226 73 S C 2.238 176.738 174.600 -0.166 0.000 1.033 73 S CA 1.653 59.714 58.200 -0.232 0.000 1.011 73 S CB -0.433 62.629 63.200 -0.231 0.000 0.852 73 S HN 0.595 nan 8.310 nan 0.000 0.457 74 R N 0.379 120.847 120.500 -0.053 0.000 2.081 74 R HA -0.011 4.329 4.340 0.001 0.000 0.235 74 R C 2.565 178.788 176.300 -0.128 0.000 1.131 74 R CA 1.497 57.581 56.100 -0.027 0.000 0.960 74 R CB -0.205 30.121 30.300 0.043 0.000 0.856 74 R HN 0.449 nan 8.270 nan 0.000 0.436 75 R N -0.593 119.785 120.500 -0.203 0.000 2.115 75 R HA -0.028 4.312 4.340 0.001 0.000 0.226 75 R C 2.156 178.279 176.300 -0.296 0.000 1.100 75 R CA 1.064 57.012 56.100 -0.254 0.000 0.980 75 R CB 0.067 30.162 30.300 -0.342 0.000 0.875 75 R HN 0.111 nan 8.270 nan 0.000 0.445 76 V N -0.093 119.602 119.914 -0.365 0.000 2.685 76 V HA -0.085 4.035 4.120 0.001 0.000 0.244 76 V C 2.113 178.097 176.094 -0.184 0.000 1.054 76 V CA 1.992 64.111 62.300 -0.301 0.000 1.076 76 V CB 0.477 32.081 31.823 -0.364 0.000 0.725 76 V HN 0.490 nan 8.190 nan 0.000 0.467 77 T N -4.095 110.355 114.554 -0.173 0.000 2.959 77 T HA 0.352 4.702 4.350 0.001 0.000 0.254 77 T C 1.543 176.183 174.700 -0.101 0.000 1.003 77 T CA 1.031 63.053 62.100 -0.130 0.000 0.950 77 T CB 1.029 69.811 68.868 -0.143 0.000 1.090 77 T HN 0.891 nan 8.240 nan 0.000 0.503 78 G N 1.684 110.424 108.800 -0.100 0.000 2.179 78 G HA2 -0.225 3.736 3.960 0.001 0.000 0.260 78 G HA3 -0.225 3.736 3.960 0.001 0.000 0.260 78 G C -0.054 174.812 174.900 -0.057 0.000 0.977 78 G CA 0.320 45.377 45.100 -0.072 0.000 0.641 78 G HN 0.588 nan 8.290 nan 0.000 0.533 79 M N -0.181 119.374 119.600 -0.076 0.000 2.268 79 M HA 0.625 5.105 4.480 0.001 0.000 0.344 79 M C -0.766 175.503 176.300 -0.052 0.000 1.106 79 M CA -0.689 54.557 55.300 -0.090 0.000 1.010 79 M CB 1.693 34.206 32.600 -0.145 0.000 1.649 79 M HN 0.149 nan 8.290 nan 0.000 0.443 80 F N 4.896 124.685 119.950 -0.270 0.000 2.382 80 F HA 0.485 5.013 4.527 0.001 0.000 0.361 80 F C -2.114 173.440 175.800 -0.410 0.000 1.109 80 F CA -2.067 55.776 58.000 -0.262 0.000 1.031 80 F CB 1.264 40.166 39.000 -0.164 0.000 1.234 80 F HN 0.327 nan 8.300 nan 0.000 0.445 81 P HA -0.037 nan 4.420 nan 0.000 0.264 81 P C -0.666 176.290 177.300 -0.573 0.000 1.183 81 P CA 0.581 63.291 63.100 -0.649 0.000 0.763 81 P CB 0.300 31.707 31.700 -0.487 0.000 0.807 82 F N 1.284 121.156 119.950 -0.130 0.000 2.399 82 F HA 0.186 4.713 4.527 0.001 0.000 0.313 82 F C 2.084 177.842 175.800 -0.071 0.000 1.202 82 F CA -0.352 57.605 58.000 -0.072 0.000 1.192 82 F CB 0.292 39.272 39.000 -0.033 0.000 1.256 82 F HN 0.269 nan 8.300 nan 0.000 0.558 83 K N 0.462 120.973 120.400 0.185 0.000 2.097 83 K HA -0.139 4.182 4.320 0.001 0.000 0.206 83 K C 1.925 178.583 176.600 0.097 0.000 1.049 83 K CA 1.658 58.006 56.287 0.102 0.000 0.933 83 K CB -0.405 32.149 32.500 0.089 0.000 0.717 83 K HN 0.609 nan 8.250 nan 0.000 0.442 84 V N -0.613 119.368 119.914 0.111 0.000 2.343 84 V HA -0.292 3.828 4.120 0.001 0.000 0.247 84 V C 1.963 178.099 176.094 0.069 0.000 1.051 84 V CA 1.542 63.886 62.300 0.072 0.000 1.036 84 V CB -0.868 30.984 31.823 0.048 0.000 0.654 84 V HN 0.266 nan 8.190 nan 0.000 0.451 85 Q N 0.203 120.059 119.800 0.094 0.000 2.170 85 Q HA -0.063 4.277 4.340 0.001 0.000 0.203 85 Q C 2.312 178.323 176.000 0.020 0.000 0.976 85 Q CA 1.982 57.803 55.803 0.031 0.000 0.858 85 Q CB -0.362 28.361 28.738 -0.024 0.000 0.907 85 Q HN 0.666 nan 8.270 nan 0.000 0.433 86 L N -0.347 120.903 121.223 0.045 0.000 2.056 86 L HA -0.180 4.161 4.340 0.001 0.000 0.207 86 L C 2.383 179.362 176.870 0.181 0.000 1.078 86 L CA 1.024 55.937 54.840 0.121 0.000 0.749 86 L CB -0.347 41.774 42.059 0.103 0.000 0.901 86 L HN 0.297 nan 8.230 nan 0.000 0.433 87 M N -0.399 119.278 119.600 0.127 0.000 2.086 87 M HA -0.103 4.377 4.480 0.001 0.000 0.261 87 M C 2.426 178.779 176.300 0.088 0.000 1.067 87 M CA 1.951 57.333 55.300 0.137 0.000 1.116 87 M CB -1.074 31.572 32.600 0.078 0.000 1.348 87 M HN 0.320 nan 8.290 nan 0.000 0.407 88 G N 0.204 109.022 108.800 0.029 0.000 2.469 88 G HA2 -0.213 3.747 3.960 0.001 0.000 0.219 88 G HA3 -0.213 3.747 3.960 0.001 0.000 0.219 88 G C 1.545 176.495 174.900 0.082 0.000 1.150 88 G CA 1.194 46.295 45.100 0.003 0.000 0.763 88 G HN 0.580 nan 8.290 nan 0.000 0.561 89 G N 0.287 109.182 108.800 0.158 0.000 2.440 89 G HA2 -0.155 3.805 3.960 0.001 0.000 0.218 89 G HA3 -0.155 3.805 3.960 0.001 0.000 0.218 89 G C 1.796 176.962 174.900 0.443 0.000 1.154 89 G CA 1.303 46.585 45.100 0.303 0.000 0.767 89 G HN 0.358 nan 8.290 nan 0.000 0.552 90 V N 1.651 121.781 119.914 0.360 0.000 2.261 90 V HA -0.162 3.958 4.120 0.001 0.000 0.246 90 V C 3.353 179.609 176.094 0.270 0.000 1.047 90 V CA 2.074 64.524 62.300 0.251 0.000 1.015 90 V CB -1.052 30.916 31.823 0.242 0.000 0.642 90 V HN 0.478 nan 8.190 nan 0.000 0.446 91 A N -0.344 122.615 122.820 0.232 0.000 1.948 91 A HA -0.194 4.127 4.320 0.001 0.000 0.220 91 A C 2.235 179.881 177.584 0.102 0.000 1.177 91 A CA 1.983 54.105 52.037 0.141 0.000 0.636 91 A CB -0.557 18.400 19.000 -0.071 0.000 0.815 91 A HN 0.525 nan 8.150 nan 0.000 0.449 92 L N -1.804 119.497 121.223 0.129 0.000 2.072 92 L HA -0.168 4.173 4.340 0.001 0.000 0.205 92 L C 2.701 179.701 176.870 0.218 0.000 1.079 92 L CA 1.524 56.451 54.840 0.145 0.000 0.752 92 L CB -0.699 41.450 42.059 0.149 0.000 0.906 92 L HN 0.618 nan 8.230 nan 0.000 0.436 93 H N 0.310 119.475 119.070 0.159 0.000 2.421 93 H HA -0.185 4.372 4.556 0.001 0.000 0.298 93 H C 1.159 176.464 175.328 -0.038 0.000 1.087 93 H CA 1.502 57.587 56.048 0.062 0.000 1.330 93 H CB 0.237 30.024 29.762 0.041 0.000 1.388 93 H HN 0.347 nan 8.280 nan 0.000 0.526 94 D N -0.175 120.200 120.400 -0.042 0.000 2.371 94 D HA -0.002 4.639 4.640 0.001 0.000 0.221 94 D C 1.320 177.554 176.300 -0.110 0.000 0.986 94 D CA 1.052 54.995 54.000 -0.096 0.000 0.899 94 D CB -0.195 40.625 40.800 0.033 0.000 0.902 94 D HN 0.675 nan 8.370 nan 0.000 0.530 95 G N 0.975 109.725 108.800 -0.084 0.000 2.149 95 G HA2 -0.237 3.724 3.960 0.001 0.000 0.235 95 G HA3 -0.237 3.724 3.960 0.001 0.000 0.235 95 G C 0.272 175.159 174.900 -0.022 0.000 1.018 95 G CA -0.193 44.883 45.100 -0.041 0.000 0.728 95 G HN 0.216 nan 8.290 nan 0.000 0.508 96 N N -0.714 117.972 118.700 -0.024 0.000 2.813 96 N HA 0.646 5.386 4.740 0.001 0.000 0.320 96 N C 0.073 175.502 175.510 -0.135 0.000 1.315 96 N CA -0.681 52.331 53.050 -0.063 0.000 0.871 96 N CB 0.704 39.170 38.487 -0.036 0.000 1.241 96 N HN -0.007 nan 8.380 nan 0.000 0.602 97 I N 1.179 121.616 120.570 -0.223 0.000 2.304 97 I HA 0.265 4.435 4.170 0.001 0.000 0.291 97 I C 0.181 176.150 176.117 -0.246 0.000 1.018 97 I CA -0.733 60.369 61.300 -0.331 0.000 1.260 97 I CB 0.249 37.879 38.000 -0.618 0.000 1.390 97 I HN 0.395 nan 8.210 nan 0.000 0.475 98 A N 6.429 129.130 122.820 -0.197 0.000 2.279 98 A HA 0.252 4.572 4.320 0.001 0.000 0.306 98 A C 0.376 177.863 177.584 -0.163 0.000 1.300 98 A CA -0.489 51.449 52.037 -0.165 0.000 0.925 98 A CB 0.074 19.006 19.000 -0.114 0.000 1.152 98 A HN 0.742 nan 8.150 nan 0.000 0.544 99 E N 3.558 123.663 120.200 -0.159 0.000 1.996 99 E HA 0.398 4.748 4.350 0.001 0.000 0.280 99 E C -0.924 175.619 176.600 -0.095 0.000 1.092 99 E CA 0.018 56.343 56.400 -0.125 0.000 0.862 99 E CB 0.293 29.925 29.700 -0.113 0.000 1.066 99 E HN 0.687 nan 8.360 nan 0.000 0.396 100 M N 3.905 123.459 119.600 -0.077 0.000 2.190 100 M HA 0.314 4.794 4.480 0.001 0.000 0.312 100 M C -0.489 175.788 176.300 -0.038 0.000 0.990 100 M CA -1.108 54.160 55.300 -0.053 0.000 0.927 100 M CB 1.824 34.398 32.600 -0.044 0.000 1.571 100 M HN 0.063 nan 8.290 nan 0.000 0.427 101 K N 1.928 122.310 120.400 -0.029 0.000 2.518 101 K HA 0.093 4.413 4.320 0.001 0.000 0.276 101 K C -0.129 176.465 176.600 -0.010 0.000 0.974 101 K CA 0.470 56.746 56.287 -0.018 0.000 0.986 101 K CB 0.135 32.627 32.500 -0.015 0.000 0.901 101 K HN 0.588 nan 8.250 nan 0.000 0.497 102 T N 1.972 116.524 114.554 -0.004 0.000 2.819 102 T HA 0.196 4.547 4.350 0.001 0.000 0.282 102 T C 1.276 175.980 174.700 0.008 0.000 1.013 102 T CA 1.381 63.482 62.100 0.003 0.000 1.159 102 T CB -0.188 68.685 68.868 0.009 0.000 1.007 102 T HN 0.745 nan 8.240 nan 0.000 0.514 103 G N 3.060 111.868 108.800 0.013 0.000 2.175 103 G HA2 -0.214 3.746 3.960 0.001 0.000 0.244 103 G HA3 -0.214 3.746 3.960 0.001 0.000 0.244 103 G C 0.730 175.651 174.900 0.034 0.000 0.982 103 G CA 0.003 45.116 45.100 0.022 0.000 0.641 103 G HN 0.653 nan 8.290 nan 0.000 0.527 104 E N 0.410 120.627 120.200 0.028 0.000 2.481 104 E HA 0.285 4.636 4.350 0.001 0.000 0.195 104 E C 1.680 178.326 176.600 0.078 0.000 1.047 104 E CA 1.010 57.440 56.400 0.050 0.000 0.867 104 E CB -0.164 29.549 29.700 0.022 0.000 0.858 104 E HN 1.674 nan 8.360 nan 0.000 0.513 105 G N 2.361 111.187 108.800 0.044 0.000 2.370 105 G HA2 -0.299 3.661 3.960 0.001 0.000 0.268 105 G HA3 -0.299 3.661 3.960 0.001 0.000 0.268 105 G C 0.679 175.574 174.900 -0.010 0.000 1.122 105 G CA 0.449 45.560 45.100 0.019 0.000 0.963 105 G HN 0.222 nan 8.290 nan 0.000 0.500 106 K N -0.699 119.693 120.400 -0.014 0.000 2.097 106 K HA -0.072 4.249 4.320 0.001 0.000 0.205 106 K C 2.684 179.266 176.600 -0.031 0.000 1.050 106 K CA 1.766 58.036 56.287 -0.027 0.000 0.938 106 K CB -0.135 32.345 32.500 -0.033 0.000 0.718 106 K HN 0.466 nan 8.250 nan 0.000 0.442 107 T N 1.992 116.531 114.554 -0.025 0.000 2.652 107 T HA -0.164 4.187 4.350 0.001 0.000 0.267 107 T C 1.724 176.405 174.700 -0.032 0.000 1.039 107 T CA 1.142 63.234 62.100 -0.014 0.000 1.153 107 T CB -0.244 68.612 68.868 -0.020 0.000 0.863 107 T HN 0.077 nan 8.240 nan 0.000 0.428 108 L N 1.079 122.261 121.223 -0.069 0.000 2.093 108 L HA -0.023 4.318 4.340 0.001 0.000 0.208 108 L C 2.501 179.294 176.870 -0.129 0.000 1.085 108 L CA 1.754 56.522 54.840 -0.120 0.000 0.755 108 L CB -1.290 40.676 42.059 -0.155 0.000 0.904 108 L HN 0.197 nan 8.230 nan 0.000 0.435 109 T N -0.754 113.740 114.554 -0.100 0.000 2.759 109 T HA -0.195 4.156 4.350 0.001 0.000 0.269 109 T C 2.026 176.674 174.700 -0.086 0.000 1.042 109 T CA 1.655 63.696 62.100 -0.099 0.000 1.140 109 T CB -0.469 68.367 68.868 -0.054 0.000 0.864 109 T HN 0.690 nan 8.240 nan 0.000 0.455 110 S N 1.713 117.388 115.700 -0.041 0.000 2.423 110 S HA -0.152 4.318 4.470 0.001 0.000 0.231 110 S C 2.253 176.888 174.600 0.058 0.000 1.014 110 S CA 1.582 59.782 58.200 0.000 0.000 0.965 110 S CB -1.110 62.091 63.200 0.003 0.000 0.785 110 S HN 0.722 nan 8.310 nan 0.000 0.495 111 T N 0.966 115.545 114.554 0.043 0.000 2.849 111 T HA -0.004 4.347 4.350 0.001 0.000 0.270 111 T C 1.680 176.438 174.700 0.097 0.000 1.066 111 T CA 1.194 63.384 62.100 0.149 0.000 1.130 111 T CB -0.829 67.925 68.868 -0.191 0.000 0.864 111 T HN 0.397 nan 8.240 nan 0.000 0.481 112 L N 1.687 122.792 121.223 -0.195 0.000 1.948 112 L HA 0.023 4.364 4.340 0.001 0.000 0.212 112 L C 0.083 176.790 176.870 -0.271 0.000 1.074 112 L CA 1.570 56.035 54.840 -0.624 0.000 0.753 112 L CB -1.474 39.809 42.059 -1.293 0.000 0.888 112 L HN 0.202 nan 8.230 nan 0.000 0.432 113 P HA -0.110 nan 4.420 nan 0.000 0.220 113 P C 1.854 179.381 177.300 0.379 0.000 1.148 113 P CA 1.250 64.598 63.100 0.413 0.000 0.803 113 P CB 0.045 32.017 31.700 0.454 0.000 0.782 114 V N -0.595 119.482 119.914 0.272 0.000 2.358 114 V HA -0.250 3.870 4.120 0.001 0.000 0.246 114 V C 2.627 178.821 176.094 0.167 0.000 1.047 114 V CA 1.794 64.206 62.300 0.187 0.000 1.035 114 V CB -1.523 30.344 31.823 0.072 0.000 0.658 114 V HN -0.003 nan 8.190 nan 0.000 0.452 115 Y N 0.677 121.080 120.300 0.172 0.000 2.114 115 Y HA -0.259 4.291 4.550 0.001 0.000 0.284 115 Y C 2.248 178.240 175.900 0.153 0.000 1.143 115 Y CA 1.980 60.190 58.100 0.184 0.000 1.135 115 Y CB -0.459 38.181 38.460 0.301 0.000 0.980 115 Y HN 0.205 nan 8.280 nan 0.000 0.499 116 L N 1.433 122.749 121.223 0.155 0.000 1.971 116 L HA -0.284 4.056 4.340 0.001 0.000 0.215 116 L C 1.702 178.569 176.870 -0.005 0.000 1.072 116 L CA 2.323 57.175 54.840 0.020 0.000 0.758 116 L CB -1.161 41.006 42.059 0.179 0.000 0.889 116 L HN 0.329 nan 8.230 nan 0.000 0.433 117 N N -0.504 118.277 118.700 0.136 0.000 2.515 117 N HA 0.016 4.757 4.740 0.001 0.000 0.191 117 N C 1.162 176.778 175.510 0.177 0.000 1.182 117 N CA 0.795 53.941 53.050 0.159 0.000 0.879 117 N CB 0.143 38.729 38.487 0.165 0.000 0.984 117 N HN 0.544 nan 8.380 nan 0.000 0.453 118 A N -0.058 122.791 122.820 0.048 0.000 2.343 118 A HA 0.225 4.546 4.320 0.001 0.000 0.223 118 A C 2.045 179.593 177.584 -0.059 0.000 1.214 118 A CA -0.237 51.803 52.037 0.006 0.000 0.900 118 A CB 0.080 19.047 19.000 -0.055 0.000 0.942 118 A HN 0.097 nan 8.150 nan 0.000 0.507 119 L N 0.272 121.427 121.223 -0.113 0.000 2.093 119 L HA -0.123 4.217 4.340 0.001 0.000 0.208 119 L C 2.660 179.494 176.870 -0.060 0.000 1.085 119 L CA 1.795 56.564 54.840 -0.119 0.000 0.755 119 L CB -0.565 41.401 42.059 -0.154 0.000 0.904 119 L HN 0.575 nan 8.230 nan 0.000 0.435 120 T N -3.060 111.461 114.554 -0.056 0.000 3.160 120 T HA 0.127 4.478 4.350 0.001 0.000 0.257 120 T C 1.381 176.035 174.700 -0.076 0.000 1.147 120 T CA 0.348 62.411 62.100 -0.062 0.000 1.064 120 T CB -0.186 68.637 68.868 -0.076 0.000 0.949 120 T HN 0.474 nan 8.240 nan 0.000 0.526 121 G N 1.839 110.601 108.800 -0.063 0.000 2.273 121 G HA2 -0.291 3.670 3.960 0.001 0.000 0.280 121 G HA3 -0.291 3.670 3.960 0.001 0.000 0.280 121 G C 0.550 175.402 174.900 -0.081 0.000 1.047 121 G CA 0.503 45.575 45.100 -0.047 0.000 0.869 121 G HN 0.584 nan 8.290 nan 0.000 0.502 122 K N -0.221 120.073 120.400 -0.176 0.000 2.367 122 K HA 0.425 4.745 4.320 0.001 0.000 0.194 122 K C 1.361 177.895 176.600 -0.110 0.000 1.027 122 K CA 0.393 56.512 56.287 -0.280 0.000 1.075 122 K CB 0.569 32.601 32.500 -0.781 0.000 0.845 122 K HN 1.546 nan 8.250 nan 0.000 0.529 123 G N 0.823 109.635 108.800 0.021 0.000 2.690 123 G HA2 -0.158 3.802 3.960 0.001 0.000 0.686 123 G HA3 -0.158 3.802 3.960 0.001 0.000 0.686 123 G C -0.986 174.052 174.900 0.231 0.000 1.277 123 G CA -1.013 44.168 45.100 0.134 0.000 0.799 123 G HN -0.024 nan 8.290 nan 0.000 0.613 124 V N 1.938 121.937 119.914 0.142 0.000 2.711 124 V HA 0.495 4.615 4.120 0.001 0.000 0.304 124 V C -0.179 175.945 176.094 0.049 0.000 1.097 124 V CA -0.988 61.344 62.300 0.053 0.000 0.906 124 V CB 2.010 33.845 31.823 0.021 0.000 1.015 124 V HN 0.924 nan 8.190 nan 0.000 0.427 125 H N 2.612 121.651 119.070 -0.052 0.000 2.552 125 H HA 0.598 5.154 4.556 0.001 0.000 0.311 125 H C -0.601 174.544 175.328 -0.305 0.000 1.071 125 H CA -0.872 55.114 56.048 -0.103 0.000 1.307 125 H CB 1.844 31.678 29.762 0.119 0.000 1.416 125 H HN 0.447 nan 8.280 nan 0.000 0.464 126 V N 5.186 124.914 119.914 -0.309 0.000 2.407 126 V HA 0.188 4.309 4.120 0.001 0.000 0.278 126 V C 0.009 175.941 176.094 -0.271 0.000 1.037 126 V CA -0.666 61.351 62.300 -0.472 0.000 0.900 126 V CB 1.307 32.546 31.823 -0.972 0.000 0.983 126 V HN 0.465 nan 8.190 nan 0.000 0.459 127 V N 4.470 124.279 119.914 -0.175 0.000 2.540 127 V HA 0.727 4.848 4.120 0.001 0.000 0.302 127 V C 0.174 176.229 176.094 -0.066 0.000 1.035 127 V CA -0.246 62.013 62.300 -0.069 0.000 0.873 127 V CB 1.925 33.710 31.823 -0.063 0.000 0.992 127 V HN 1.032 nan 8.190 nan 0.000 0.428 128 T N 1.368 115.913 114.554 -0.016 0.000 2.742 128 T HA 0.439 4.790 4.350 0.001 0.000 0.282 128 T C 0.988 175.666 174.700 -0.037 0.000 1.025 128 T CA 0.015 62.095 62.100 -0.033 0.000 1.020 128 T CB 1.702 70.564 68.868 -0.010 0.000 1.317 128 T HN 0.532 nan 8.240 nan 0.000 0.538 129 V N -1.450 118.431 119.914 -0.055 0.000 3.052 129 V HA 0.255 4.376 4.120 0.001 0.000 0.254 129 V C 0.257 176.326 176.094 -0.043 0.000 1.100 129 V CA 0.860 63.123 62.300 -0.062 0.000 1.112 129 V CB -1.495 30.286 31.823 -0.070 0.000 0.738 129 V HN 0.944 nan 8.190 nan 0.000 0.469 130 N N -1.770 116.895 118.700 -0.059 0.000 2.610 130 N HA 0.286 5.026 4.740 0.001 0.000 0.264 130 N C 0.074 175.586 175.510 0.004 0.000 1.348 130 N CA -0.485 52.538 53.050 -0.045 0.000 0.819 130 N CB 0.955 39.292 38.487 -0.251 0.000 1.521 130 N HN 0.016 nan 8.380 nan 0.000 0.497 131 E N -0.900 119.342 120.200 0.069 0.000 2.204 131 E HA -0.187 4.164 4.350 0.001 0.000 0.194 131 E C 0.547 177.187 176.600 0.067 0.000 0.989 131 E CA 0.799 57.243 56.400 0.075 0.000 0.824 131 E CB -0.222 29.538 29.700 0.100 0.000 0.756 131 E HN 0.609 nan 8.360 nan 0.000 0.477 132 Y N 1.528 121.828 120.300 0.000 0.000 2.145 132 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 132 Y C 1.924 177.805 175.900 -0.032 0.000 1.145 132 Y CA 1.404 59.505 58.100 0.001 0.000 1.148 132 Y CB -0.282 38.200 38.460 0.035 0.000 0.981 132 Y HN -0.082 nan 8.280 nan 0.000 0.507 133 L N -0.037 121.100 121.223 -0.144 0.000 2.046 133 L HA -0.198 4.142 4.340 0.001 0.000 0.208 133 L C 2.811 179.570 176.870 -0.186 0.000 1.077 133 L CA 1.181 55.891 54.840 -0.216 0.000 0.747 133 L CB -0.981 41.049 42.059 -0.049 0.000 0.896 133 L HN 0.397 nan 8.230 nan 0.000 0.432 134 A N -0.808 121.960 122.820 -0.086 0.000 1.898 134 A HA -0.222 4.099 4.320 0.001 0.000 0.216 134 A C 2.546 180.051 177.584 -0.132 0.000 1.181 134 A CA 1.996 54.028 52.037 -0.008 0.000 0.620 134 A CB -0.608 18.428 19.000 0.060 0.000 0.819 134 A HN 0.412 nan 8.150 nan 0.000 0.442 135 S N -0.545 115.058 115.700 -0.162 0.000 2.371 135 S HA -0.176 4.294 4.470 0.001 0.000 0.224 135 S C 2.220 176.655 174.600 -0.275 0.000 1.029 135 S CA 1.277 59.365 58.200 -0.187 0.000 0.978 135 S CB -0.431 62.699 63.200 -0.118 0.000 0.833 135 S HN 0.608 nan 8.310 nan 0.000 0.466 136 R N 0.757 121.025 120.500 -0.386 0.000 2.082 136 R HA -0.137 4.204 4.340 0.001 0.000 0.234 136 R C 1.579 177.694 176.300 -0.309 0.000 1.136 136 R CA 2.262 58.130 56.100 -0.385 0.000 0.935 136 R CB -0.741 29.221 30.300 -0.564 0.000 0.842 136 R HN 0.402 nan 8.270 nan 0.000 0.430 137 D N 0.291 120.502 120.400 -0.315 0.000 2.178 137 D HA -0.122 4.518 4.640 0.001 0.000 0.201 137 D C 1.734 177.673 176.300 -0.603 0.000 0.980 137 D CA 1.410 55.221 54.000 -0.316 0.000 0.842 137 D CB -0.271 40.449 40.800 -0.133 0.000 0.948 137 D HN 0.436 nan 8.370 nan 0.000 0.472 138 A N 1.029 123.337 122.820 -0.853 0.000 1.933 138 A HA -0.194 4.126 4.320 0.001 0.000 0.218 138 A C 2.099 179.456 177.584 -0.379 0.000 1.175 138 A CA 1.262 52.744 52.037 -0.925 0.000 0.628 138 A CB -0.377 18.248 19.000 -0.625 0.000 0.814 138 A HN 0.159 nan 8.150 nan 0.000 0.444 139 E N -0.416 119.621 120.200 -0.272 0.000 2.028 139 E HA -0.220 4.131 4.350 0.001 0.000 0.191 139 E C 2.376 178.892 176.600 -0.140 0.000 0.988 139 E CA 1.552 57.857 56.400 -0.158 0.000 0.799 139 E CB -0.186 29.434 29.700 -0.134 0.000 0.755 139 E HN 0.765 nan 8.360 nan 0.000 0.447 140 Q N -0.373 119.327 119.800 -0.167 0.000 2.049 140 Q HA -0.063 4.277 4.340 0.001 0.000 0.198 140 Q C 2.125 178.029 176.000 -0.160 0.000 0.971 140 Q CA 0.984 56.702 55.803 -0.142 0.000 0.833 140 Q CB 0.010 28.667 28.738 -0.135 0.000 0.896 140 Q HN 0.216 nan 8.270 nan 0.000 0.434 141 M N -0.019 119.476 119.600 -0.176 0.000 2.349 141 M HA 0.018 4.498 4.480 0.001 0.000 0.266 141 M C 2.171 178.345 176.300 -0.210 0.000 1.076 141 M CA 1.100 56.277 55.300 -0.206 0.000 1.126 141 M CB -1.206 31.364 32.600 -0.050 0.000 1.392 141 M HN 0.328 nan 8.290 nan 0.000 0.440 142 G N 0.946 109.726 108.800 -0.033 0.000 2.442 142 G HA2 -0.234 3.727 3.960 0.001 0.000 0.219 142 G HA3 -0.234 3.727 3.960 0.001 0.000 0.219 142 G C 1.700 176.641 174.900 0.067 0.000 1.141 142 G CA 0.738 45.921 45.100 0.139 0.000 0.763 142 G HN 0.295 nan 8.290 nan 0.000 0.554 143 K N 0.576 120.959 120.400 -0.029 0.000 2.074 143 K HA -0.063 4.257 4.320 0.001 0.000 0.209 143 K C 2.385 178.974 176.600 -0.019 0.000 1.048 143 K CA 0.889 57.168 56.287 -0.013 0.000 0.926 143 K CB -0.698 31.768 32.500 -0.056 0.000 0.713 143 K HN 0.448 nan 8.250 nan 0.000 0.444 144 I N -0.120 120.338 120.570 -0.186 0.000 2.226 144 I HA -0.257 3.914 4.170 0.001 0.000 0.245 144 I C 2.225 178.287 176.117 -0.091 0.000 1.100 144 I CA 1.374 62.518 61.300 -0.260 0.000 1.374 144 I CB -0.329 37.363 38.000 -0.514 0.000 1.057 144 I HN -0.003 nan 8.210 nan 0.000 0.413 145 F N 0.892 120.905 119.950 0.106 0.000 2.146 145 F HA -0.145 4.383 4.527 0.001 0.000 0.298 145 F C 2.558 178.458 175.800 0.168 0.000 1.096 145 F CA 0.899 58.994 58.000 0.158 0.000 1.275 145 F CB -0.342 38.762 39.000 0.174 0.000 1.008 145 F HN 0.019 nan 8.300 nan 0.000 0.480 146 E N -0.036 120.353 120.200 0.316 0.000 2.106 146 E HA -0.224 4.126 4.350 0.001 0.000 0.192 146 E C 1.926 178.642 176.600 0.195 0.000 0.984 146 E CA 1.143 57.675 56.400 0.219 0.000 0.806 146 E CB -0.353 29.446 29.700 0.164 0.000 0.750 146 E HN 0.417 nan 8.360 nan 0.000 0.458 147 F N 1.132 121.119 119.950 0.062 0.000 2.134 147 F HA -0.181 4.347 4.527 0.001 0.000 0.299 147 F C 1.623 177.459 175.800 0.060 0.000 1.097 147 F CA 0.956 58.978 58.000 0.036 0.000 1.264 147 F CB 0.131 39.125 39.000 -0.010 0.000 1.001 147 F HN -0.026 nan 8.300 nan 0.000 0.479 148 L N 0.865 122.240 121.223 0.254 0.000 2.675 148 L HA 0.248 4.588 4.340 0.001 0.000 0.239 148 L C 1.734 178.712 176.870 0.181 0.000 1.151 148 L CA 0.919 55.876 54.840 0.195 0.000 0.905 148 L CB -1.278 40.929 42.059 0.247 0.000 1.057 148 L HN 0.457 nan 8.230 nan 0.000 0.435 149 G N -0.700 108.172 108.800 0.120 0.000 2.143 149 G HA2 -0.263 3.697 3.960 0.001 0.000 0.248 149 G HA3 -0.263 3.697 3.960 0.001 0.000 0.248 149 G C 0.307 175.292 174.900 0.142 0.000 0.991 149 G CA 0.168 45.327 45.100 0.098 0.000 0.689 149 G HN 0.304 nan 8.290 nan 0.000 0.522 150 L N 1.079 122.428 121.223 0.210 0.000 2.334 150 L HA 0.648 4.989 4.340 0.001 0.000 0.275 150 L C 1.200 178.168 176.870 0.163 0.000 1.036 150 L CA -0.367 54.584 54.840 0.185 0.000 0.807 150 L CB 1.674 43.868 42.059 0.225 0.000 1.231 150 L HN 0.340 nan 8.230 nan 0.000 0.438 151 T N -0.260 114.361 114.554 0.112 0.000 2.909 151 T HA 0.562 4.913 4.350 0.001 0.000 0.286 151 T C -0.330 174.430 174.700 0.100 0.000 1.002 151 T CA -0.731 61.431 62.100 0.103 0.000 1.074 151 T CB 1.710 70.625 68.868 0.079 0.000 0.984 151 T HN 0.444 nan 8.240 nan 0.000 0.495 152 V N -0.258 119.728 119.914 0.121 0.000 2.638 152 V HA 0.958 5.079 4.120 0.001 0.000 0.306 152 V C -0.068 176.095 176.094 0.114 0.000 1.052 152 V CA -0.477 61.906 62.300 0.138 0.000 0.885 152 V CB 1.442 33.408 31.823 0.238 0.000 0.999 152 V HN 1.316 nan 8.190 nan 0.000 0.424 153 G N 3.334 112.196 108.800 0.103 0.000 2.454 153 G HA2 0.712 4.672 3.960 0.001 0.000 0.329 153 G HA3 0.712 4.672 3.960 0.001 0.000 0.329 153 G C -1.620 173.319 174.900 0.064 0.000 1.177 153 G CA -0.897 44.237 45.100 0.058 0.000 0.951 153 G HN 1.180 nan 8.290 nan 0.000 0.485 154 L N 0.984 122.220 121.223 0.023 0.000 2.372 154 L HA 0.527 4.867 4.340 0.001 0.000 0.274 154 L C -0.764 176.092 176.870 -0.024 0.000 0.988 154 L CA -1.065 53.787 54.840 0.019 0.000 0.833 154 L CB 1.629 43.693 42.059 0.009 0.000 1.236 154 L HN 0.470 nan 8.230 nan 0.000 0.410 155 N N 5.281 123.941 118.700 -0.066 0.000 2.414 155 N HA 0.575 5.316 4.740 0.001 0.000 0.256 155 N C -1.479 174.033 175.510 0.003 0.000 1.029 155 N CA -0.079 52.924 53.050 -0.079 0.000 0.948 155 N CB 0.498 38.847 38.487 -0.229 0.000 1.102 155 N HN 0.638 nan 8.380 nan 0.000 0.496 156 L N 2.295 123.537 121.223 0.032 0.000 2.323 156 L HA 0.436 4.776 4.340 0.001 0.000 0.265 156 L C 1.685 178.596 176.870 0.068 0.000 1.012 156 L CA -0.923 53.949 54.840 0.053 0.000 0.820 156 L CB 1.519 43.605 42.059 0.045 0.000 1.334 156 L HN 0.547 nan 8.230 nan 0.000 0.427 157 N N 0.735 119.482 118.700 0.079 0.000 2.137 157 N HA -0.208 4.533 4.740 0.001 0.000 0.190 157 N C 1.389 176.926 175.510 0.044 0.000 1.017 157 N CA 1.946 55.038 53.050 0.070 0.000 0.859 157 N CB 0.274 38.806 38.487 0.075 0.000 1.002 157 N HN 0.761 nan 8.380 nan 0.000 0.428 158 S N -0.693 115.033 115.700 0.042 0.000 2.603 158 S HA 0.149 4.620 4.470 0.001 0.000 0.220 158 S C 0.967 175.585 174.600 0.030 0.000 0.967 158 S CA -0.269 57.950 58.200 0.031 0.000 0.920 158 S CB -0.028 63.191 63.200 0.032 0.000 0.773 158 S HN 0.193 nan 8.310 nan 0.000 0.529 159 M N 2.463 122.085 119.600 0.037 0.000 2.359 159 M HA 0.379 4.859 4.480 0.001 0.000 0.322 159 M C 0.551 176.874 176.300 0.039 0.000 1.166 159 M CA -0.545 54.779 55.300 0.039 0.000 1.067 159 M CB 1.821 34.449 32.600 0.047 0.000 1.523 159 M HN 0.353 nan 8.290 nan 0.000 0.467 160 S N 0.874 116.596 115.700 0.036 0.000 2.655 160 S HA 0.323 4.793 4.470 0.001 0.000 0.265 160 S C 0.756 175.381 174.600 0.042 0.000 1.240 160 S CA -0.663 57.556 58.200 0.032 0.000 0.986 160 S CB 1.191 64.407 63.200 0.027 0.000 0.985 160 S HN 0.608 nan 8.310 nan 0.000 0.562 161 K N 0.952 121.370 120.400 0.030 0.000 2.020 161 K HA -0.086 4.235 4.320 0.001 0.000 0.212 161 K C 1.649 178.277 176.600 0.046 0.000 1.050 161 K CA 2.101 58.406 56.287 0.030 0.000 0.929 161 K CB -0.775 31.726 32.500 0.002 0.000 0.714 161 K HN 0.651 nan 8.250 nan 0.000 0.443 162 D N 0.410 120.834 120.400 0.041 0.000 2.123 162 D HA -0.156 4.485 4.640 0.001 0.000 0.196 162 D C 1.769 178.106 176.300 0.061 0.000 0.992 162 D CA 1.133 55.162 54.000 0.049 0.000 0.833 162 D CB -0.081 40.744 40.800 0.042 0.000 0.954 162 D HN 0.385 nan 8.370 nan 0.000 0.455 163 E N 0.446 120.681 120.200 0.058 0.000 2.072 163 E HA -0.113 4.237 4.350 0.001 0.000 0.191 163 E C 2.051 178.702 176.600 0.084 0.000 0.985 163 E CA 0.726 57.162 56.400 0.061 0.000 0.801 163 E CB 0.064 29.794 29.700 0.049 0.000 0.750 163 E HN 0.216 nan 8.360 nan 0.000 0.452 164 K N 0.559 121.023 120.400 0.107 0.000 2.097 164 K HA -0.139 4.181 4.320 0.001 0.000 0.206 164 K C 2.224 178.987 176.600 0.271 0.000 1.049 164 K CA 0.890 57.285 56.287 0.181 0.000 0.933 164 K CB -0.063 32.563 32.500 0.210 0.000 0.717 164 K HN -0.049 nan 8.250 nan 0.000 0.442 165 R N 1.315 121.925 120.500 0.183 0.000 2.092 165 R HA -0.174 4.167 4.340 0.001 0.000 0.231 165 R C 2.199 178.601 176.300 0.169 0.000 1.119 165 R CA 1.691 57.893 56.100 0.171 0.000 0.970 165 R CB 0.020 30.376 30.300 0.093 0.000 0.864 165 R HN 0.246 nan 8.270 nan 0.000 0.440 166 E N -0.152 120.122 120.200 0.124 0.000 2.077 166 E HA -0.190 4.160 4.350 0.001 0.000 0.193 166 E C 1.759 178.421 176.600 0.103 0.000 0.989 166 E CA 1.215 57.675 56.400 0.100 0.000 0.800 166 E CB -0.131 29.613 29.700 0.073 0.000 0.746 166 E HN 0.436 nan 8.360 nan 0.000 0.452 167 A N 0.058 122.930 122.820 0.087 0.000 1.940 167 A HA -0.180 4.141 4.320 0.001 0.000 0.219 167 A C 1.818 179.403 177.584 0.002 0.000 1.176 167 A CA 1.388 53.436 52.037 0.018 0.000 0.631 167 A CB -0.873 18.096 19.000 -0.053 0.000 0.814 167 A HN 0.490 nan 8.150 nan 0.000 0.446 168 Y N -0.795 119.543 120.300 0.062 0.000 2.516 168 Y HA 0.153 4.703 4.550 0.001 0.000 0.291 168 Y C 2.526 178.490 175.900 0.107 0.000 1.131 168 Y CA 0.570 58.723 58.100 0.087 0.000 1.281 168 Y CB 0.036 38.545 38.460 0.083 0.000 1.013 168 Y HN 0.345 nan 8.280 nan 0.000 0.554 169 A N -0.012 122.938 122.820 0.217 0.000 2.178 169 A HA 0.405 4.726 4.320 0.001 0.000 0.211 169 A C 1.459 179.112 177.584 0.114 0.000 1.157 169 A CA 0.417 52.545 52.037 0.151 0.000 0.780 169 A CB -0.661 18.409 19.000 0.117 0.000 0.828 169 A HN 0.201 nan 8.150 nan 0.000 0.476 170 A N 0.090 122.973 122.820 0.106 0.000 2.386 170 A HA 0.309 4.630 4.320 0.001 0.000 0.246 170 A C 0.754 178.384 177.584 0.077 0.000 1.089 170 A CA 0.144 52.230 52.037 0.081 0.000 0.790 170 A CB 0.201 19.244 19.000 0.072 0.000 1.042 170 A HN 0.339 nan 8.150 nan 0.000 0.497 171 D N -0.299 120.132 120.400 0.051 0.000 2.182 171 D HA -0.051 4.589 4.640 0.001 0.000 0.201 171 D C 0.168 176.470 176.300 0.003 0.000 0.986 171 D CA 1.685 55.701 54.000 0.026 0.000 0.847 171 D CB -0.025 40.780 40.800 0.008 0.000 0.942 171 D HN 0.479 nan 8.370 nan 0.000 0.467 172 I N -0.227 120.334 120.570 -0.015 0.000 2.607 172 I HA 0.127 4.297 4.170 0.001 0.000 0.290 172 I C -0.828 175.293 176.117 0.007 0.000 1.129 172 I CA -0.314 60.944 61.300 -0.070 0.000 1.042 172 I CB 2.694 40.523 38.000 -0.284 0.000 1.242 172 I HN -0.386 nan 8.210 nan 0.000 0.421 173 T N 4.551 119.105 114.554 0.000 0.000 2.840 173 T HA 0.494 4.845 4.350 0.001 0.000 0.287 173 T C -0.900 173.734 174.700 -0.110 0.000 0.991 173 T CA -0.532 61.550 62.100 -0.031 0.000 0.964 173 T CB 0.649 69.434 68.868 -0.138 0.000 0.954 173 T HN 0.136 nan 8.240 nan 0.000 0.438 174 Y N 1.732 121.989 120.300 -0.071 0.000 2.310 174 Y HA 0.632 5.183 4.550 0.001 0.000 0.326 174 Y C 0.917 176.763 175.900 -0.090 0.000 1.151 174 Y CA 0.099 58.165 58.100 -0.055 0.000 1.195 174 Y CB 1.676 40.117 38.460 -0.032 0.000 1.210 174 Y HN 0.697 nan 8.280 nan 0.000 0.483 175 S N 0.472 116.213 115.700 0.070 0.000 2.611 175 S HA 0.436 4.906 4.470 0.001 0.000 0.270 175 S C -0.871 173.770 174.600 0.068 0.000 1.131 175 S CA -0.654 57.567 58.200 0.035 0.000 0.826 175 S CB 0.466 63.635 63.200 -0.052 0.000 1.095 175 S HN 0.759 nan 8.310 nan 0.000 0.461 176 T N 1.418 116.020 114.554 0.081 0.000 2.874 176 T HA 0.339 4.689 4.350 0.001 0.000 0.281 176 T C 1.522 176.303 174.700 0.135 0.000 0.994 176 T CA -0.082 62.070 62.100 0.087 0.000 1.015 176 T CB 0.445 69.369 68.868 0.093 0.000 1.028 176 T HN 0.726 nan 8.240 nan 0.000 0.523 177 N N 2.062 120.841 118.700 0.132 0.000 2.244 177 N HA -0.170 4.570 4.740 0.001 0.000 0.183 177 N C 1.225 176.918 175.510 0.306 0.000 1.016 177 N CA 1.061 54.266 53.050 0.259 0.000 0.866 177 N CB -0.849 37.683 38.487 0.075 0.000 0.980 177 N HN 0.645 nan 8.380 nan 0.000 0.430 178 N N 1.087 119.930 118.700 0.239 0.000 2.043 178 N HA -0.129 4.612 4.740 0.001 0.000 0.193 178 N C 1.338 176.929 175.510 0.134 0.000 1.037 178 N CA 1.145 54.316 53.050 0.202 0.000 0.851 178 N CB -0.110 38.538 38.487 0.267 0.000 1.027 178 N HN 0.273 nan 8.380 nan 0.000 0.422 179 E N 1.443 121.778 120.200 0.225 0.000 2.085 179 E HA -0.092 4.258 4.350 0.001 0.000 0.194 179 E C 2.343 179.046 176.600 0.172 0.000 0.994 179 E CA 0.471 57.019 56.400 0.247 0.000 0.801 179 E CB -0.448 29.365 29.700 0.187 0.000 0.743 179 E HN 0.377 nan 8.360 nan 0.000 0.453 180 L N -0.128 121.158 121.223 0.105 0.000 1.989 180 L HA -0.163 4.178 4.340 0.001 0.000 0.211 180 L C 2.503 179.190 176.870 -0.305 0.000 1.071 180 L CA 1.570 56.444 54.840 0.056 0.000 0.749 180 L CB -0.817 41.343 42.059 0.168 0.000 0.890 180 L HN 0.211 nan 8.230 nan 0.000 0.431 181 G N -0.869 107.575 108.800 -0.593 0.000 2.422 181 G HA2 -0.236 3.724 3.960 0.001 0.000 0.218 181 G HA3 -0.236 3.724 3.960 0.001 0.000 0.218 181 G C 1.482 176.197 174.900 -0.309 0.000 1.146 181 G CA 0.435 45.053 45.100 -0.803 0.000 0.769 181 G HN 0.230 nan 8.290 nan 0.000 0.547 182 F N 1.105 121.004 119.950 -0.085 0.000 2.113 182 F HA -0.042 4.485 4.527 0.001 0.000 0.297 182 F C 2.596 178.392 175.800 -0.006 0.000 1.103 182 F CA 0.900 58.889 58.000 -0.019 0.000 1.248 182 F CB 0.026 39.034 39.000 0.013 0.000 0.999 182 F HN 0.040 nan 8.300 nan 0.000 0.475 183 D N -0.456 120.065 120.400 0.201 0.000 2.116 183 D HA -0.264 4.377 4.640 0.001 0.000 0.193 183 D C 1.839 178.170 176.300 0.052 0.000 0.998 183 D CA 1.437 55.506 54.000 0.116 0.000 0.836 183 D CB -0.785 40.105 40.800 0.150 0.000 0.951 183 D HN 0.326 nan 8.370 nan 0.000 0.449 184 Y N 1.244 121.524 120.300 -0.033 0.000 2.207 184 Y HA -0.158 4.392 4.550 0.001 0.000 0.287 184 Y C 2.145 178.050 175.900 0.008 0.000 1.156 184 Y CA 1.288 59.388 58.100 0.000 0.000 1.182 184 Y CB -0.363 38.158 38.460 0.103 0.000 0.979 184 Y HN -0.057 nan 8.280 nan 0.000 0.521 185 L N -0.351 120.844 121.223 -0.047 0.000 2.044 185 L HA -0.167 4.173 4.340 0.001 0.000 0.205 185 L C 2.597 179.385 176.870 -0.138 0.000 1.075 185 L CA 1.424 56.218 54.840 -0.076 0.000 0.747 185 L CB -0.496 41.646 42.059 0.138 0.000 0.903 185 L HN 0.098 nan 8.230 nan 0.000 0.435 186 R N -0.058 120.407 120.500 -0.058 0.000 2.120 186 R HA -0.163 4.178 4.340 0.001 0.000 0.234 186 R C 1.741 177.946 176.300 -0.158 0.000 1.123 186 R CA 1.349 57.402 56.100 -0.079 0.000 0.975 186 R CB -0.369 29.911 30.300 -0.034 0.000 0.866 186 R HN 0.287 nan 8.270 nan 0.000 0.446 187 D N 0.334 120.613 120.400 -0.202 0.000 2.263 187 D HA -0.105 4.535 4.640 0.001 0.000 0.208 187 D C 0.612 176.723 176.300 -0.315 0.000 0.971 187 D CA 1.121 54.981 54.000 -0.234 0.000 0.867 187 D CB -0.158 40.502 40.800 -0.235 0.000 0.929 187 D HN 0.226 nan 8.370 nan 0.000 0.492 188 N N -1.133 117.287 118.700 -0.466 0.000 2.268 188 N HA 0.211 4.951 4.740 0.001 0.000 0.204 188 N C 0.837 176.079 175.510 -0.447 0.000 1.124 188 N CA 0.032 52.695 53.050 -0.645 0.000 0.838 188 N CB 0.397 38.064 38.487 -1.366 0.000 0.994 188 N HN 0.083 nan 8.380 nan 0.000 0.489 189 M N -0.118 119.326 119.600 -0.260 0.000 2.300 189 M HA 0.151 4.632 4.480 0.001 0.000 0.313 189 M C 0.073 176.297 176.300 -0.127 0.000 0.988 189 M CA -0.172 55.037 55.300 -0.151 0.000 1.012 189 M CB 0.915 33.463 32.600 -0.085 0.000 1.586 189 M HN -0.050 nan 8.290 nan 0.000 0.562 190 V N -0.447 119.374 119.914 -0.154 0.000 3.332 190 V HA 0.004 4.125 4.120 0.001 0.000 0.305 190 V C 0.936 176.950 176.094 -0.135 0.000 1.114 190 V CA -0.058 62.143 62.300 -0.166 0.000 1.194 190 V CB 0.676 32.378 31.823 -0.201 0.000 1.027 190 V HN 0.263 nan 8.190 nan 0.000 0.492 191 L N 2.425 123.554 121.223 -0.156 0.000 2.515 191 L HA 0.408 4.749 4.340 0.001 0.000 0.223 191 L C 0.339 177.267 176.870 0.097 0.000 1.079 191 L CA 0.685 55.509 54.840 -0.026 0.000 0.857 191 L CB -0.639 41.447 42.059 0.045 0.000 1.050 191 L HN 0.949 nan 8.230 nan 0.000 0.476 192 Y N -5.412 114.862 120.300 -0.043 0.000 2.544 192 Y HA 0.382 4.933 4.550 0.001 0.000 0.342 192 Y C 1.066 176.942 175.900 -0.041 0.000 1.062 192 Y CA -1.687 56.383 58.100 -0.049 0.000 1.023 192 Y CB 0.811 39.248 38.460 -0.038 0.000 1.308 192 Y HN -0.195 nan 8.280 nan 0.000 0.457 193 K N 0.657 121.107 120.400 0.084 0.000 2.127 193 K HA -0.303 4.018 4.320 0.001 0.000 0.212 193 K C 0.910 177.541 176.600 0.052 0.000 1.050 193 K CA 2.758 59.075 56.287 0.050 0.000 0.929 193 K CB -0.001 32.520 32.500 0.035 0.000 0.715 193 K HN 0.927 nan 8.250 nan 0.000 0.457 194 E N 0.176 120.454 120.200 0.130 0.000 2.409 194 E HA -0.121 4.230 4.350 0.001 0.000 0.198 194 E C 1.588 178.171 176.600 -0.028 0.000 1.024 194 E CA 0.784 57.247 56.400 0.105 0.000 0.861 194 E CB 0.146 29.986 29.700 0.234 0.000 0.788 194 E HN 0.410 nan 8.360 nan 0.000 0.521 195 Q N -0.378 119.287 119.800 -0.224 0.000 2.435 195 Q HA 0.079 4.420 4.340 0.001 0.000 0.207 195 Q C 0.239 176.151 176.000 -0.146 0.000 0.956 195 Q CA 0.159 55.806 55.803 -0.261 0.000 0.917 195 Q CB 0.047 28.505 28.738 -0.466 0.000 0.997 195 Q HN 0.344 nan 8.270 nan 0.000 0.497 196 M N 0.393 119.929 119.600 -0.105 0.000 2.252 196 M HA -0.057 4.424 4.480 0.001 0.000 0.333 196 M C 1.286 177.538 176.300 -0.080 0.000 1.111 196 M CA 0.063 55.308 55.300 -0.091 0.000 1.140 196 M CB 0.768 33.334 32.600 -0.057 0.000 1.538 196 M HN 0.030 nan 8.290 nan 0.000 0.448 197 V N -0.635 119.204 119.914 -0.124 0.000 3.212 197 V HA 0.134 4.254 4.120 0.001 0.000 0.244 197 V C 0.639 176.537 176.094 -0.327 0.000 1.151 197 V CA 0.254 62.473 62.300 -0.136 0.000 1.119 197 V CB -0.203 31.577 31.823 -0.071 0.000 0.838 197 V HN 0.836 nan 8.190 nan 0.000 0.470 198 Q N 1.127 120.649 119.800 -0.464 0.000 2.260 198 Q HA 0.513 4.854 4.340 0.001 0.000 0.242 198 Q C -0.487 175.421 176.000 -0.154 0.000 0.932 198 Q CA -0.542 54.924 55.803 -0.563 0.000 0.891 198 Q CB 1.749 30.221 28.738 -0.444 0.000 1.222 198 Q HN 0.461 nan 8.270 nan 0.000 0.453 199 R N 0.765 121.263 120.500 -0.004 0.000 2.527 199 R HA 0.417 4.758 4.340 0.001 0.000 0.243 199 R C -2.162 174.152 176.300 0.022 0.000 1.206 199 R CA -1.806 54.319 56.100 0.041 0.000 1.134 199 R CB -0.271 30.090 30.300 0.102 0.000 1.347 199 R HN 0.430 nan 8.270 nan 0.000 0.580 200 P HA 0.017 nan 4.420 nan 0.000 0.267 200 P C -0.747 176.520 177.300 -0.056 0.000 1.200 200 P CA 0.202 63.273 63.100 -0.049 0.000 0.772 200 P CB 0.366 32.036 31.700 -0.049 0.000 0.855 201 L N 2.854 123.959 121.223 -0.196 0.000 2.454 201 L HA 0.089 4.429 4.340 0.001 0.000 0.284 201 L C 1.560 178.327 176.870 -0.171 0.000 1.139 201 L CA -0.074 54.486 54.840 -0.466 0.000 0.911 201 L CB -0.421 40.955 42.059 -1.138 0.000 1.262 201 L HN 0.586 nan 8.230 nan 0.000 0.453 202 H N 4.006 123.050 119.070 -0.042 0.000 2.273 202 H HA 0.166 4.723 4.556 0.001 0.000 0.317 202 H C -0.652 174.865 175.328 0.316 0.000 1.062 202 H CA 0.865 56.968 56.048 0.093 0.000 1.419 202 H CB 0.487 30.280 29.762 0.052 0.000 1.442 202 H HN 0.355 nan 8.280 nan 0.000 0.542 203 F N 0.701 120.578 119.950 -0.121 0.000 2.573 203 F HA 0.662 5.190 4.527 0.001 0.000 0.316 203 F C -1.476 174.172 175.800 -0.254 0.000 1.148 203 F CA -1.250 56.583 58.000 -0.278 0.000 0.940 203 F CB 1.274 39.986 39.000 -0.480 0.000 1.214 203 F HN 0.322 nan 8.300 nan 0.000 0.448 204 A N 5.583 128.005 122.820 -0.663 0.000 2.318 204 A HA 0.749 5.069 4.320 0.001 0.000 0.317 204 A C -1.731 175.318 177.584 -0.892 0.000 1.159 204 A CA -0.629 50.903 52.037 -0.843 0.000 0.799 204 A CB 1.168 19.520 19.000 -1.079 0.000 1.194 204 A HN 0.517 nan 8.150 nan 0.000 0.479 205 V N 4.351 123.777 119.914 -0.813 0.000 2.370 205 V HA 0.347 4.468 4.120 0.001 0.000 0.283 205 V C -0.218 175.623 176.094 -0.422 0.000 1.023 205 V CA -0.149 61.779 62.300 -0.620 0.000 0.857 205 V CB 1.047 32.540 31.823 -0.551 0.000 0.985 205 V HN 0.718 nan 8.190 nan 0.000 0.443 206 I N 3.709 124.047 120.570 -0.386 0.000 2.328 206 I HA 0.348 4.518 4.170 0.001 0.000 0.287 206 I C -0.013 175.953 176.117 -0.251 0.000 1.012 206 I CA -0.415 60.673 61.300 -0.353 0.000 1.195 206 I CB 1.303 39.008 38.000 -0.491 0.000 1.350 206 I HN 0.498 nan 8.210 nan 0.000 0.464 207 D N 6.387 126.675 120.400 -0.186 0.000 2.362 207 D HA 0.009 4.650 4.640 0.001 0.000 0.242 207 D C 0.576 176.798 176.300 -0.129 0.000 1.132 207 D CA 0.519 54.441 54.000 -0.129 0.000 0.907 207 D CB 0.838 41.592 40.800 -0.078 0.000 1.195 207 D HN 0.449 nan 8.370 nan 0.000 0.429 208 E N 0.794 120.934 120.200 -0.101 0.000 2.360 208 E HA -0.187 4.164 4.350 0.001 0.000 0.238 208 E C 1.185 177.724 176.600 -0.103 0.000 1.186 208 E CA 0.296 56.645 56.400 -0.086 0.000 0.719 208 E CB -1.966 27.689 29.700 -0.074 0.000 1.236 208 E HN 0.335 nan 8.360 nan 0.000 0.386 209 V N 1.200 121.039 119.914 -0.124 0.000 2.453 209 V HA -0.311 3.809 4.120 0.001 0.000 0.252 209 V C 2.214 178.309 176.094 0.002 0.000 1.068 209 V CA 2.797 65.016 62.300 -0.136 0.000 1.070 209 V CB -0.144 31.556 31.823 -0.205 0.000 0.664 209 V HN 0.499 nan 8.190 nan 0.000 0.461 210 D N -1.238 119.211 120.400 0.082 0.000 2.178 210 D HA -0.143 4.498 4.640 0.001 0.000 0.202 210 D C 2.050 178.362 176.300 0.018 0.000 0.974 210 D CA 1.523 55.610 54.000 0.146 0.000 0.841 210 D CB -0.351 40.535 40.800 0.143 0.000 0.953 210 D HN 0.503 nan 8.370 nan 0.000 0.478 211 S N 0.431 116.116 115.700 -0.025 0.000 2.368 211 S HA -0.007 4.463 4.470 0.001 0.000 0.224 211 S C 2.222 176.775 174.600 -0.080 0.000 1.029 211 S CA 0.584 58.755 58.200 -0.048 0.000 0.988 211 S CB -0.090 63.075 63.200 -0.059 0.000 0.838 211 S HN 0.314 nan 8.310 nan 0.000 0.462 212 I N 0.823 121.316 120.570 -0.129 0.000 2.235 212 I HA -0.038 4.132 4.170 0.001 0.000 0.241 212 I C 1.871 177.922 176.117 -0.109 0.000 1.085 212 I CA 1.030 62.204 61.300 -0.210 0.000 1.378 212 I CB -0.205 37.610 38.000 -0.308 0.000 1.076 212 I HN 0.197 nan 8.210 nan 0.000 0.415 213 L N 0.180 121.344 121.223 -0.098 0.000 2.341 213 L HA -0.027 4.313 4.340 0.001 0.000 0.214 213 L C 2.116 179.041 176.870 0.091 0.000 1.115 213 L CA 0.538 55.358 54.840 -0.033 0.000 0.820 213 L CB 0.073 41.962 42.059 -0.284 0.000 0.944 213 L HN 0.257 nan 8.230 nan 0.000 0.452 214 I N -0.930 119.639 120.570 -0.002 0.000 3.196 214 I HA -0.039 4.132 4.170 0.001 0.000 0.248 214 I C 1.899 178.030 176.117 0.024 0.000 1.105 214 I CA 0.717 61.996 61.300 -0.034 0.000 1.482 214 I CB -0.979 36.927 38.000 -0.158 0.000 1.400 214 I HN 0.091 nan 8.210 nan 0.000 0.464 215 D N 1.405 121.812 120.400 0.012 0.000 2.144 215 D HA -0.161 4.480 4.640 0.001 0.000 0.199 215 D C 1.403 177.744 176.300 0.070 0.000 0.984 215 D CA 1.268 55.287 54.000 0.031 0.000 0.834 215 D CB 0.074 40.881 40.800 0.012 0.000 0.955 215 D HN 0.473 nan 8.370 nan 0.000 0.465 216 E N -0.045 120.203 120.200 0.079 0.000 2.465 216 E HA 0.246 4.596 4.350 0.001 0.000 0.195 216 E C 1.659 178.439 176.600 0.300 0.000 1.028 216 E CA -0.181 56.319 56.400 0.166 0.000 0.899 216 E CB 0.653 30.382 29.700 0.048 0.000 1.032 216 E HN 0.086 nan 8.360 nan 0.000 0.468 217 A N 1.860 124.821 122.820 0.234 0.000 1.903 217 A HA -0.225 4.096 4.320 0.001 0.000 0.219 217 A C 2.012 179.757 177.584 0.269 0.000 1.191 217 A CA 1.400 53.611 52.037 0.289 0.000 0.638 217 A CB -0.230 18.899 19.000 0.216 0.000 0.823 217 A HN 0.127 nan 8.150 nan 0.000 0.451 218 R N -0.647 119.970 120.500 0.194 0.000 2.427 218 R HA 0.112 4.453 4.340 0.001 0.000 0.262 218 R C -0.455 175.924 176.300 0.132 0.000 0.943 218 R CA 0.041 56.225 56.100 0.141 0.000 1.081 218 R CB 0.044 30.402 30.300 0.097 0.000 1.166 218 R HN 0.314 nan 8.270 nan 0.000 0.534 219 T N 4.807 119.480 114.554 0.198 0.000 2.769 219 T HA 0.126 4.477 4.350 0.001 0.000 0.293 219 T C -2.254 172.463 174.700 0.028 0.000 0.931 219 T CA -0.984 61.219 62.100 0.172 0.000 1.139 219 T CB 1.062 70.119 68.868 0.314 0.000 0.881 219 T HN 0.064 nan 8.240 nan 0.000 0.532 220 P HA 0.282 nan 4.420 nan 0.000 0.286 220 P C -0.820 176.405 177.300 -0.125 0.000 1.269 220 P CA -0.789 62.269 63.100 -0.070 0.000 0.787 220 P CB 0.692 32.392 31.700 0.000 0.000 0.920 221 L N 5.180 126.244 121.223 -0.266 0.000 2.305 221 L HA 0.332 4.672 4.340 0.001 0.000 0.281 221 L C 0.376 177.246 176.870 0.000 0.000 1.085 221 L CA -0.119 54.566 54.840 -0.259 0.000 0.813 221 L CB -0.018 41.673 42.059 -0.613 0.000 1.157 221 L HN 0.291 nan 8.230 nan 0.000 0.436 222 I N 5.224 125.901 120.570 0.178 0.000 2.465 222 I HA 0.414 4.584 4.170 0.001 0.000 0.291 222 I C 0.003 176.273 176.117 0.256 0.000 1.014 222 I CA -0.499 60.912 61.300 0.184 0.000 1.093 222 I CB 1.899 39.978 38.000 0.131 0.000 1.267 222 I HN 0.377 nan 8.210 nan 0.000 0.431 223 I N 4.559 125.246 120.570 0.194 0.000 2.378 223 I HA 0.347 4.517 4.170 0.001 0.000 0.291 223 I C 0.182 176.353 176.117 0.089 0.000 0.992 223 I CA -0.277 61.102 61.300 0.133 0.000 1.154 223 I CB 1.782 39.860 38.000 0.130 0.000 1.315 223 I HN 0.483 nan 8.210 nan 0.000 0.448 224 S N 3.442 119.175 115.700 0.054 0.000 2.608 224 S HA 0.614 5.084 4.470 0.001 0.000 0.291 224 S C 0.389 175.008 174.600 0.033 0.000 1.146 224 S CA -0.674 57.553 58.200 0.044 0.000 1.043 224 S CB 1.936 65.157 63.200 0.035 0.000 1.037 224 S HN 0.788 nan 8.310 nan 0.000 0.520 225 G N 0.244 109.065 108.800 0.034 0.000 2.621 225 G HA2 0.321 4.281 3.960 0.001 0.000 0.271 225 G HA3 0.321 4.281 3.960 0.001 0.000 0.271 225 G C 0.020 174.932 174.900 0.020 0.000 1.236 225 G CA -0.380 44.737 45.100 0.028 0.000 0.958 225 G HN 0.720 nan 8.290 nan 0.000 0.512 226 Q N -0.733 119.077 119.800 0.017 0.000 2.384 226 Q HA 0.359 4.699 4.340 0.001 0.000 0.207 226 Q C 1.050 177.060 176.000 0.017 0.000 0.904 226 Q CA 0.198 56.009 55.803 0.013 0.000 0.933 226 Q CB 0.751 29.494 28.738 0.008 0.000 1.077 226 Q HN 0.526 nan 8.270 nan 0.000 0.522 227 A N 0.864 123.697 122.820 0.021 0.000 2.303 227 A HA 0.734 5.055 4.320 0.001 0.000 0.317 227 A C -0.346 177.256 177.584 0.030 0.000 1.149 227 A CA -0.541 51.510 52.037 0.024 0.000 0.822 227 A CB 0.591 19.605 19.000 0.023 0.000 1.131 227 A HN 0.270 nan 8.150 nan 0.000 0.493 228 A N 1.938 124.779 122.820 0.034 0.000 2.363 228 A HA 0.469 4.789 4.320 0.001 0.000 0.270 228 A C 0.304 177.921 177.584 0.055 0.000 1.121 228 A CA -0.455 51.609 52.037 0.046 0.000 0.800 228 A CB -0.064 18.965 19.000 0.047 0.000 1.052 228 A HN 0.788 nan 8.150 nan 0.000 0.493 229 K N 1.839 122.280 120.400 0.070 0.000 2.511 229 K HA 0.116 4.437 4.320 0.001 0.000 0.280 229 K C 0.884 177.543 176.600 0.098 0.000 1.008 229 K CA 0.412 56.748 56.287 0.082 0.000 1.050 229 K CB 0.330 32.901 32.500 0.118 0.000 0.889 229 K HN 0.826 nan 8.250 nan 0.000 0.484 230 S N 1.209 116.950 115.700 0.068 0.000 2.600 230 S HA 0.044 4.515 4.470 0.001 0.000 0.265 230 S C 1.011 175.678 174.600 0.112 0.000 1.325 230 S CA 0.033 58.276 58.200 0.072 0.000 1.002 230 S CB 1.005 64.224 63.200 0.033 0.000 0.921 230 S HN 0.698 nan 8.310 nan 0.000 0.554 231 T N -0.750 113.894 114.554 0.150 0.000 3.044 231 T HA 0.277 4.628 4.350 0.001 0.000 0.260 231 T C 1.210 176.006 174.700 0.160 0.000 1.019 231 T CA -0.461 61.816 62.100 0.296 0.000 0.921 231 T CB -0.170 68.904 68.868 0.343 0.000 1.053 231 T HN 0.689 nan 8.240 nan 0.000 0.533 232 K N 1.438 121.870 120.400 0.053 0.000 2.077 232 K HA -0.102 4.218 4.320 0.001 0.000 0.213 232 K C 1.960 178.552 176.600 -0.014 0.000 1.051 232 K CA 1.459 57.762 56.287 0.027 0.000 0.929 232 K CB -0.677 31.825 32.500 0.002 0.000 0.715 232 K HN 0.320 nan 8.250 nan 0.000 0.451 233 L N 0.069 121.192 121.223 -0.167 0.000 2.012 233 L HA -0.231 4.109 4.340 0.001 0.000 0.210 233 L C 2.463 179.257 176.870 -0.127 0.000 1.073 233 L CA 1.541 56.199 54.840 -0.303 0.000 0.748 233 L CB -0.478 41.139 42.059 -0.737 0.000 0.891 233 L HN 0.219 nan 8.230 nan 0.000 0.431 234 Y N -1.402 118.975 120.300 0.128 0.000 2.165 234 Y HA -0.270 4.280 4.550 0.001 0.000 0.286 234 Y C 2.476 178.453 175.900 0.128 0.000 1.155 234 Y CA 1.093 59.304 58.100 0.185 0.000 1.164 234 Y CB -0.614 37.944 38.460 0.164 0.000 0.978 234 Y HN -0.068 nan 8.280 nan 0.000 0.513 235 V N 0.102 120.165 119.914 0.248 0.000 2.270 235 V HA -0.306 3.815 4.120 0.001 0.000 0.245 235 V C 2.122 178.314 176.094 0.163 0.000 1.043 235 V CA 1.955 64.362 62.300 0.178 0.000 1.014 235 V CB -0.746 31.159 31.823 0.137 0.000 0.645 235 V HN 0.433 nan 8.190 nan 0.000 0.447 236 Q N -0.050 119.844 119.800 0.155 0.000 2.061 236 Q HA -0.210 4.131 4.340 0.001 0.000 0.204 236 Q C 2.420 178.599 176.000 0.299 0.000 0.984 236 Q CA 1.923 57.855 55.803 0.215 0.000 0.846 236 Q CB -0.459 28.432 28.738 0.254 0.000 0.902 236 Q HN 0.671 nan 8.270 nan 0.000 0.421 237 A N 1.559 124.525 122.820 0.242 0.000 1.877 237 A HA -0.249 4.072 4.320 0.001 0.000 0.216 237 A C 1.882 179.605 177.584 0.232 0.000 1.186 237 A CA 1.609 53.806 52.037 0.267 0.000 0.620 237 A CB -0.963 18.151 19.000 0.190 0.000 0.822 237 A HN 0.502 nan 8.150 nan 0.000 0.443 238 N N 0.316 119.127 118.700 0.185 0.000 2.061 238 N HA -0.202 4.538 4.740 0.001 0.000 0.193 238 N C 1.944 177.507 175.510 0.088 0.000 1.030 238 N CA 1.656 54.780 53.050 0.124 0.000 0.856 238 N CB -0.244 38.338 38.487 0.157 0.000 1.023 238 N HN 0.376 nan 8.380 nan 0.000 0.424 239 A N 0.298 123.196 122.820 0.130 0.000 1.933 239 A HA -0.141 4.179 4.320 0.001 0.000 0.218 239 A C 1.965 179.613 177.584 0.107 0.000 1.175 239 A CA 0.988 53.086 52.037 0.102 0.000 0.628 239 A CB -0.929 18.133 19.000 0.104 0.000 0.814 239 A HN 0.556 nan 8.150 nan 0.000 0.444 240 F N 0.510 120.480 119.950 0.034 0.000 2.206 240 F HA -0.066 4.462 4.527 0.001 0.000 0.298 240 F C 2.108 177.905 175.800 -0.005 0.000 1.090 240 F CA 1.527 59.540 58.000 0.021 0.000 1.323 240 F CB -0.245 38.831 39.000 0.128 0.000 1.028 240 F HN 0.008 nan 8.300 nan 0.000 0.492 241 V N 1.140 120.953 119.914 -0.167 0.000 2.490 241 V HA -0.276 3.844 4.120 0.001 0.000 0.250 241 V C 2.456 178.334 176.094 -0.361 0.000 1.061 241 V CA 1.984 64.071 62.300 -0.356 0.000 1.064 241 V CB -0.741 30.872 31.823 -0.350 0.000 0.670 241 V HN 0.275 nan 8.190 nan 0.000 0.461 242 R N -0.242 120.113 120.500 -0.242 0.000 2.117 242 R HA -0.172 4.168 4.340 0.001 0.000 0.243 242 R C 2.344 178.567 176.300 -0.128 0.000 1.143 242 R CA 1.916 57.936 56.100 -0.132 0.000 0.968 242 R CB -0.716 29.562 30.300 -0.037 0.000 0.863 242 R HN 0.455 nan 8.270 nan 0.000 0.444 243 T N 0.967 115.400 114.554 -0.202 0.000 2.915 243 T HA -0.036 4.314 4.350 0.001 0.000 0.269 243 T C 0.393 174.979 174.700 -0.190 0.000 1.071 243 T CA 0.537 62.522 62.100 -0.192 0.000 1.132 243 T CB -0.048 68.676 68.868 -0.240 0.000 0.878 243 T HN -0.111 nan 8.240 nan 0.000 0.479 244 L N 1.922 123.002 121.223 -0.237 0.000 2.416 244 L HA 0.289 4.629 4.340 0.001 0.000 0.272 244 L C 0.313 177.219 176.870 0.061 0.000 1.161 244 L CA 0.074 54.859 54.840 -0.092 0.000 0.845 244 L CB 0.293 42.338 42.059 -0.023 0.000 1.119 244 L HN -0.147 nan 8.230 nan 0.000 0.464 245 K N 1.709 122.108 120.400 -0.001 0.000 2.143 245 K HA 0.464 4.784 4.320 0.001 0.000 0.272 245 K C 0.856 177.291 176.600 -0.274 0.000 1.001 245 K CA 0.152 56.404 56.287 -0.059 0.000 0.915 245 K CB 1.246 33.699 32.500 -0.079 0.000 1.047 245 K HN 0.600 nan 8.250 nan 0.000 0.458 246 A N 2.541 125.220 122.820 -0.234 0.000 2.084 246 A HA -0.181 4.139 4.320 0.001 0.000 0.221 246 A C 1.157 178.319 177.584 -0.704 0.000 1.161 246 A CA 1.694 53.456 52.037 -0.459 0.000 0.653 246 A CB -0.144 18.815 19.000 -0.069 0.000 0.802 246 A HN 0.691 nan 8.150 nan 0.000 0.457 247 E N -2.049 117.887 120.200 -0.440 0.000 2.399 247 E HA 0.049 4.400 4.350 0.001 0.000 0.206 247 E C 1.667 178.133 176.600 -0.223 0.000 0.812 247 E CA 0.649 56.878 56.400 -0.285 0.000 1.138 247 E CB -0.105 29.507 29.700 -0.146 0.000 1.140 247 E HN 0.380 nan 8.360 nan 0.000 0.536 248 K N 1.381 121.668 120.400 -0.189 0.000 2.262 248 K HA 0.007 4.328 4.320 0.001 0.000 0.200 248 K C 1.079 177.625 176.600 -0.089 0.000 1.049 248 K CA 1.051 57.274 56.287 -0.107 0.000 0.979 248 K CB 0.238 32.695 32.500 -0.071 0.000 0.773 248 K HN -0.067 nan 8.250 nan 0.000 0.474 249 D N -1.092 119.227 120.400 -0.135 0.000 2.324 249 D HA 0.030 4.671 4.640 0.001 0.000 0.212 249 D C -0.011 176.338 176.300 0.081 0.000 0.984 249 D CA 0.486 54.475 54.000 -0.018 0.000 0.885 249 D CB 0.393 41.205 40.800 0.020 0.000 0.996 249 D HN 0.245 nan 8.370 nan 0.000 0.505 250 Y N -1.289 119.013 120.300 0.004 0.000 2.562 250 Y HA 0.707 5.258 4.550 0.001 0.000 0.345 250 Y C -0.663 175.260 175.900 0.038 0.000 1.045 250 Y CA -1.039 57.072 58.100 0.020 0.000 1.028 250 Y CB 1.336 39.803 38.460 0.012 0.000 1.297 250 Y HN -0.414 nan 8.280 nan 0.000 0.463 251 T N 1.565 116.266 114.554 0.245 0.000 2.900 251 T HA 0.205 4.556 4.350 0.001 0.000 0.303 251 T C -2.106 172.721 174.700 0.212 0.000 1.142 251 T CA -0.740 61.468 62.100 0.181 0.000 1.007 251 T CB 1.193 70.120 68.868 0.098 0.000 1.156 251 T HN 0.662 nan 8.240 nan 0.000 0.490 252 Y N 3.510 123.876 120.300 0.109 0.000 2.714 252 Y HA 0.290 4.840 4.550 0.001 0.000 0.333 252 Y C 0.403 176.339 175.900 0.060 0.000 1.220 252 Y CA -0.879 57.271 58.100 0.084 0.000 1.513 252 Y CB -0.125 38.378 38.460 0.071 0.000 1.435 252 Y HN 0.523 nan 8.280 nan 0.000 0.489 253 D N 6.362 126.625 120.400 -0.228 0.000 2.382 253 D HA 0.182 4.822 4.640 0.001 0.000 0.245 253 D C -0.419 175.704 176.300 -0.295 0.000 1.120 253 D CA 0.155 54.052 54.000 -0.172 0.000 0.890 253 D CB 0.891 41.641 40.800 -0.083 0.000 1.201 253 D HN 0.666 nan 8.370 nan 0.000 0.433 254 I N 0.837 121.343 120.570 -0.107 0.000 2.841 254 I HA 0.251 4.421 4.170 0.001 0.000 0.298 254 I C 0.709 176.817 176.117 -0.015 0.000 1.304 254 I CA -0.858 60.404 61.300 -0.063 0.000 1.019 254 I CB 2.064 40.090 38.000 0.044 0.000 1.282 254 I HN 0.231 nan 8.210 nan 0.000 0.432 255 K N 3.182 123.574 120.400 -0.013 0.000 2.057 255 K HA -0.055 4.266 4.320 0.001 0.000 0.207 255 K C 0.864 177.433 176.600 -0.052 0.000 1.049 255 K CA 1.648 57.919 56.287 -0.026 0.000 0.931 255 K CB -1.286 31.202 32.500 -0.020 0.000 0.714 255 K HN 0.700 nan 8.250 nan 0.000 0.440 256 T N 1.674 116.189 114.554 -0.065 0.000 2.919 256 T HA 0.038 4.389 4.350 0.001 0.000 0.302 256 T C -0.119 174.491 174.700 -0.151 0.000 1.031 256 T CA -0.556 61.490 62.100 -0.090 0.000 1.127 256 T CB 0.383 69.210 68.868 -0.068 0.000 0.952 256 T HN 0.356 nan 8.240 nan 0.000 0.540 257 K N 3.584 123.899 120.400 -0.141 0.000 2.083 257 K HA 0.443 4.764 4.320 0.001 0.000 0.246 257 K C -0.706 175.721 176.600 -0.288 0.000 1.160 257 K CA -0.466 55.683 56.287 -0.230 0.000 1.060 257 K CB -0.609 31.903 32.500 0.021 0.000 1.417 257 K HN 0.565 nan 8.250 nan 0.000 0.329 258 A N 3.496 126.065 122.820 -0.418 0.000 2.371 258 A HA 0.435 4.755 4.320 0.001 0.000 0.311 258 A C -0.948 176.447 177.584 -0.316 0.000 1.068 258 A CA -0.779 51.100 52.037 -0.264 0.000 0.744 258 A CB 1.774 20.698 19.000 -0.128 0.000 1.239 258 A HN 0.369 nan 8.150 nan 0.000 0.435 259 V N 3.731 123.565 119.914 -0.132 0.000 2.406 259 V HA 0.348 4.468 4.120 0.001 0.000 0.272 259 V C -0.023 176.078 176.094 0.012 0.000 1.043 259 V CA 0.053 62.349 62.300 -0.005 0.000 0.915 259 V CB 0.692 32.563 31.823 0.081 0.000 0.988 259 V HN 0.965 nan 8.190 nan 0.000 0.466 260 Q N 3.868 123.702 119.800 0.056 0.000 2.451 260 Q HA 0.591 4.932 4.340 0.001 0.000 0.281 260 Q C -1.416 174.666 176.000 0.136 0.000 1.099 260 Q CA -1.224 54.628 55.803 0.082 0.000 0.806 260 Q CB 2.641 31.424 28.738 0.074 0.000 1.419 260 Q HN 0.381 nan 8.270 nan 0.000 0.427 261 L N 1.607 122.906 121.223 0.126 0.000 2.417 261 L HA 0.216 4.557 4.340 0.001 0.000 0.268 261 L C 0.723 177.659 176.870 0.111 0.000 1.158 261 L CA 0.590 55.512 54.840 0.137 0.000 0.819 261 L CB 1.076 43.197 42.059 0.104 0.000 1.112 261 L HN 0.845 nan 8.230 nan 0.000 0.458 262 T N -1.507 113.104 114.554 0.096 0.000 2.810 262 T HA 0.166 4.516 4.350 0.001 0.000 0.277 262 T C 0.932 175.665 174.700 0.056 0.000 0.973 262 T CA -0.532 61.609 62.100 0.069 0.000 0.949 262 T CB 0.637 69.530 68.868 0.041 0.000 1.075 262 T HN 0.586 nan 8.240 nan 0.000 0.537 263 E N -0.002 120.228 120.200 0.050 0.000 2.153 263 E HA -0.179 4.172 4.350 0.001 0.000 0.194 263 E C 1.866 178.483 176.600 0.028 0.000 0.988 263 E CA 1.145 57.569 56.400 0.039 0.000 0.811 263 E CB -0.123 29.601 29.700 0.041 0.000 0.746 263 E HN 0.683 nan 8.360 nan 0.000 0.466 264 E N -0.336 119.882 120.200 0.030 0.000 2.031 264 E HA -0.128 4.223 4.350 0.001 0.000 0.193 264 E C 2.025 178.656 176.600 0.051 0.000 0.994 264 E CA 1.110 57.528 56.400 0.030 0.000 0.800 264 E CB -0.494 29.217 29.700 0.017 0.000 0.752 264 E HN 0.380 nan 8.360 nan 0.000 0.447 265 G N 0.987 109.826 108.800 0.065 0.000 2.442 265 G HA2 -0.296 3.664 3.960 0.001 0.000 0.219 265 G HA3 -0.296 3.664 3.960 0.001 0.000 0.219 265 G C 1.650 176.639 174.900 0.148 0.000 1.141 265 G CA 1.091 46.262 45.100 0.117 0.000 0.763 265 G HN 0.197 nan 8.290 nan 0.000 0.554 266 M N 1.103 120.739 119.600 0.060 0.000 2.077 266 M HA -0.076 4.404 4.480 0.001 0.000 0.261 266 M C 2.991 179.284 176.300 -0.012 0.000 1.070 266 M CA 2.162 57.452 55.300 -0.018 0.000 1.125 266 M CB -0.277 32.256 32.600 -0.112 0.000 1.339 266 M HN 0.362 nan 8.290 nan 0.000 0.409 267 T N -1.553 113.004 114.554 0.004 0.000 2.803 267 T HA -0.216 4.135 4.350 0.001 0.000 0.269 267 T C 1.658 176.377 174.700 0.032 0.000 1.052 267 T CA 1.726 63.829 62.100 0.005 0.000 1.136 267 T CB -0.495 68.380 68.868 0.011 0.000 0.864 267 T HN 0.420 nan 8.240 nan 0.000 0.467 268 K N 1.702 122.158 120.400 0.094 0.000 2.062 268 K HA 0.196 4.517 4.320 0.001 0.000 0.205 268 K C 2.575 179.289 176.600 0.191 0.000 1.051 268 K CA 1.004 57.389 56.287 0.164 0.000 0.941 268 K CB -0.672 31.957 32.500 0.215 0.000 0.719 268 K HN 0.352 nan 8.250 nan 0.000 0.440 269 A N 1.120 124.056 122.820 0.193 0.000 1.877 269 A HA -0.207 4.113 4.320 0.001 0.000 0.216 269 A C 1.940 179.437 177.584 -0.146 0.000 1.186 269 A CA 1.920 53.824 52.037 -0.221 0.000 0.620 269 A CB -0.634 18.301 19.000 -0.108 0.000 0.822 269 A HN 0.503 nan 8.150 nan 0.000 0.443 270 E N -0.595 119.553 120.200 -0.087 0.000 2.058 270 E HA -0.195 4.156 4.350 0.001 0.000 0.194 270 E C 2.166 178.722 176.600 -0.073 0.000 0.997 270 E CA 1.266 57.610 56.400 -0.092 0.000 0.801 270 E CB -0.063 29.587 29.700 -0.084 0.000 0.746 270 E HN 0.342 nan 8.360 nan 0.000 0.450 271 K N 0.630 120.996 120.400 -0.056 0.000 2.057 271 K HA -0.070 4.251 4.320 0.001 0.000 0.207 271 K C 1.932 178.469 176.600 -0.105 0.000 1.049 271 K CA 1.296 57.549 56.287 -0.055 0.000 0.931 271 K CB -0.232 32.254 32.500 -0.023 0.000 0.714 271 K HN 0.127 nan 8.250 nan 0.000 0.440 272 A N -0.592 122.124 122.820 -0.175 0.000 1.969 272 A HA -0.059 4.262 4.320 0.001 0.000 0.218 272 A C 1.672 178.930 177.584 -0.545 0.000 1.169 272 A CA 1.046 52.864 52.037 -0.366 0.000 0.635 272 A CB -0.397 18.290 19.000 -0.522 0.000 0.810 272 A HN 0.295 nan 8.150 nan 0.000 0.445 273 F N -1.089 118.711 119.950 -0.251 0.000 2.678 273 F HA 0.368 4.896 4.527 0.001 0.000 0.305 273 F C 1.639 177.333 175.800 -0.177 0.000 1.090 273 F CA 0.484 58.347 58.000 -0.228 0.000 1.272 273 F CB 0.457 39.274 39.000 -0.305 0.000 1.060 273 F HN 0.315 nan 8.300 nan 0.000 0.576 274 G N 2.387 111.170 108.800 -0.028 0.000 2.221 274 G HA2 -0.310 3.650 3.960 0.001 0.000 0.265 274 G HA3 -0.310 3.650 3.960 0.001 0.000 0.265 274 G C 0.104 174.980 174.900 -0.041 0.000 1.041 274 G CA 0.551 45.632 45.100 -0.032 0.000 0.807 274 G HN 0.522 nan 8.290 nan 0.000 0.502 275 I N -4.640 115.875 120.570 -0.091 0.000 2.797 275 I HA 0.772 4.942 4.170 0.001 0.000 0.307 275 I C 0.551 176.607 176.117 -0.101 0.000 1.033 275 I CA -1.305 59.903 61.300 -0.153 0.000 1.071 275 I CB 1.575 39.266 38.000 -0.514 0.000 1.255 275 I HN -0.178 nan 8.210 nan 0.000 0.445 276 D N 1.677 122.056 120.400 -0.036 0.000 2.162 276 D HA 0.003 4.643 4.640 0.001 0.000 0.205 276 D C 0.122 176.415 176.300 -0.012 0.000 0.964 276 D CA 1.450 55.446 54.000 -0.006 0.000 0.847 276 D CB 0.151 40.970 40.800 0.032 0.000 0.988 276 D HN 0.729 nan 8.370 nan 0.000 0.480 277 N N 0.196 118.901 118.700 0.007 0.000 2.558 277 N HA 0.067 4.808 4.740 0.001 0.000 0.285 277 N C 0.140 175.658 175.510 0.014 0.000 1.112 277 N CA -0.330 52.735 53.050 0.026 0.000 0.857 277 N CB 1.191 39.738 38.487 0.100 0.000 1.376 277 N HN -0.201 nan 8.380 nan 0.000 0.526 278 L N 4.073 125.215 121.223 -0.135 0.000 2.265 278 L HA 0.110 4.450 4.340 0.001 0.000 0.215 278 L C 0.728 177.564 176.870 -0.058 0.000 1.117 278 L CA 1.731 56.457 54.840 -0.190 0.000 0.782 278 L CB -0.387 41.478 42.059 -0.325 0.000 0.914 278 L HN 0.662 nan 8.230 nan 0.000 0.441 279 F N -1.163 118.825 119.950 0.065 0.000 2.743 279 F HA 0.019 4.546 4.527 0.001 0.000 0.297 279 F C 1.273 177.113 175.800 0.066 0.000 1.131 279 F CA -0.491 57.547 58.000 0.064 0.000 1.426 279 F CB -0.031 39.001 39.000 0.053 0.000 1.116 279 F HN 0.043 nan 8.300 nan 0.000 0.583 280 D N 1.148 121.700 120.400 0.254 0.000 2.472 280 D HA -0.062 4.578 4.640 0.001 0.000 0.237 280 D C 1.591 177.915 176.300 0.041 0.000 1.141 280 D CA 0.158 54.241 54.000 0.138 0.000 0.875 280 D CB 1.710 42.579 40.800 0.115 0.000 1.192 280 D HN 0.117 nan 8.370 nan 0.000 0.450 281 V N 2.384 122.288 119.914 -0.016 0.000 2.469 281 V HA -0.236 3.885 4.120 0.001 0.000 0.251 281 V C 2.208 178.182 176.094 -0.200 0.000 1.064 281 V CA 1.503 63.767 62.300 -0.061 0.000 1.066 281 V CB -0.668 31.149 31.823 -0.010 0.000 0.667 281 V HN 0.485 nan 8.190 nan 0.000 0.461 282 K N -0.168 119.983 120.400 -0.414 0.000 2.281 282 K HA -0.122 4.198 4.320 0.001 0.000 0.203 282 K C 1.469 177.743 176.600 -0.544 0.000 1.046 282 K CA 1.874 57.804 56.287 -0.594 0.000 0.938 282 K CB -0.273 31.720 32.500 -0.846 0.000 0.737 282 K HN 0.798 nan 8.250 nan 0.000 0.458 283 H N -1.453 117.558 119.070 -0.098 0.000 2.528 283 H HA 0.121 4.677 4.556 0.001 0.000 0.282 283 H C 1.199 176.490 175.328 -0.062 0.000 1.097 283 H CA -0.490 55.496 56.048 -0.103 0.000 1.121 283 H CB 0.654 30.347 29.762 -0.116 0.000 1.590 283 H HN -0.128 nan 8.280 nan 0.000 0.553 284 V N 0.985 120.916 119.914 0.029 0.000 2.282 284 V HA -0.370 3.751 4.120 0.001 0.000 0.249 284 V C 2.563 178.706 176.094 0.083 0.000 1.057 284 V CA 2.278 64.614 62.300 0.061 0.000 1.032 284 V CB -0.720 31.113 31.823 0.016 0.000 0.645 284 V HN 0.688 nan 8.190 nan 0.000 0.447 285 A N -0.412 122.427 122.820 0.032 0.000 1.858 285 A HA -0.220 4.100 4.320 0.001 0.000 0.216 285 A C 2.168 179.796 177.584 0.074 0.000 1.190 285 A CA 2.210 54.293 52.037 0.076 0.000 0.617 285 A CB -0.700 18.269 19.000 -0.052 0.000 0.827 285 A HN 0.478 nan 8.150 nan 0.000 0.443 286 L N 0.751 121.913 121.223 -0.103 0.000 1.990 286 L HA -0.243 4.097 4.340 0.001 0.000 0.213 286 L C 2.053 178.866 176.870 -0.094 0.000 1.072 286 L CA 2.905 57.604 54.840 -0.235 0.000 0.755 286 L CB -0.994 40.828 42.059 -0.396 0.000 0.889 286 L HN 0.532 nan 8.230 nan 0.000 0.432 287 N N -1.293 117.399 118.700 -0.014 0.000 2.104 287 N HA -0.310 4.431 4.740 0.001 0.000 0.190 287 N C 2.097 177.678 175.510 0.117 0.000 1.024 287 N CA 1.908 54.983 53.050 0.040 0.000 0.853 287 N CB -0.295 38.250 38.487 0.096 0.000 1.008 287 N HN 0.712 nan 8.380 nan 0.000 0.424 288 H N -0.856 118.269 119.070 0.092 0.000 2.357 288 H HA -0.034 4.523 4.556 0.001 0.000 0.301 288 H C 1.868 177.239 175.328 0.073 0.000 1.082 288 H CA 2.017 58.115 56.048 0.084 0.000 1.342 288 H CB -0.271 29.535 29.762 0.073 0.000 1.389 288 H HN 0.442 nan 8.280 nan 0.000 0.511 289 H N -0.326 118.760 119.070 0.026 0.000 2.353 289 H HA -0.101 4.455 4.556 0.001 0.000 0.300 289 H C 2.465 177.777 175.328 -0.026 0.000 1.090 289 H CA 1.420 57.464 56.048 -0.006 0.000 1.327 289 H CB 0.136 29.882 29.762 -0.026 0.000 1.383 289 H HN 0.395 nan 8.280 nan 0.000 0.508 290 I N 1.226 121.859 120.570 0.105 0.000 2.264 290 I HA -0.275 3.895 4.170 0.001 0.000 0.248 290 I C 2.002 178.133 176.117 0.024 0.000 1.111 290 I CA 0.929 62.282 61.300 0.090 0.000 1.382 290 I CB -0.168 37.895 38.000 0.105 0.000 1.060 290 I HN 0.212 nan 8.210 nan 0.000 0.418 291 N N 0.225 118.909 118.700 -0.027 0.000 2.244 291 N HA -0.153 4.587 4.740 0.001 0.000 0.183 291 N C 1.862 177.301 175.510 -0.120 0.000 1.016 291 N CA 0.978 53.987 53.050 -0.068 0.000 0.866 291 N CB -0.147 38.296 38.487 -0.074 0.000 0.980 291 N HN 0.351 nan 8.380 nan 0.000 0.430 292 Q N 0.384 120.073 119.800 -0.185 0.000 2.049 292 Q HA 0.138 4.479 4.340 0.001 0.000 0.198 292 Q C 2.044 178.007 176.000 -0.061 0.000 0.971 292 Q CA 1.024 56.731 55.803 -0.160 0.000 0.833 292 Q CB -0.538 28.072 28.738 -0.212 0.000 0.896 292 Q HN 0.336 nan 8.270 nan 0.000 0.434 293 A N 0.843 123.658 122.820 -0.008 0.000 1.978 293 A HA -0.156 4.164 4.320 0.001 0.000 0.220 293 A C 2.086 179.660 177.584 -0.017 0.000 1.170 293 A CA 1.223 53.282 52.037 0.036 0.000 0.636 293 A CB -0.537 18.495 19.000 0.054 0.000 0.810 293 A HN 0.308 nan 8.150 nan 0.000 0.448 294 L N -0.920 120.257 121.223 -0.077 0.000 2.313 294 L HA 0.066 4.407 4.340 0.001 0.000 0.214 294 L C 2.127 178.945 176.870 -0.087 0.000 1.119 294 L CA 1.893 56.643 54.840 -0.150 0.000 0.809 294 L CB -0.198 41.775 42.059 -0.144 0.000 0.933 294 L HN 0.427 nan 8.230 nan 0.000 0.449 295 K N -0.901 119.471 120.400 -0.047 0.000 2.166 295 K HA 0.042 4.363 4.320 0.001 0.000 0.201 295 K C 1.997 178.592 176.600 -0.008 0.000 1.052 295 K CA 0.807 57.078 56.287 -0.027 0.000 0.969 295 K CB -0.032 32.434 32.500 -0.057 0.000 0.761 295 K HN 0.308 nan 8.250 nan 0.000 0.459 296 A N 0.630 123.449 122.820 -0.002 0.000 1.978 296 A HA -0.179 4.141 4.320 0.001 0.000 0.220 296 A C 1.491 179.104 177.584 0.049 0.000 1.170 296 A CA 1.608 53.641 52.037 -0.007 0.000 0.636 296 A CB -0.608 18.393 19.000 0.002 0.000 0.810 296 A HN 0.380 nan 8.150 nan 0.000 0.448 297 H N -1.518 117.520 119.070 -0.053 0.000 2.300 297 H HA 0.082 4.638 4.556 0.001 0.000 0.312 297 H C 2.189 177.501 175.328 -0.026 0.000 1.057 297 H CA 1.637 57.660 56.048 -0.040 0.000 1.380 297 H CB -0.303 29.401 29.762 -0.096 0.000 1.424 297 H HN 0.150 nan 8.280 nan 0.000 0.534 298 V N 0.346 120.306 119.914 0.077 0.000 2.379 298 V HA -0.137 3.983 4.120 0.001 0.000 0.245 298 V C 2.298 178.434 176.094 0.070 0.000 1.044 298 V CA 1.792 64.129 62.300 0.062 0.000 1.036 298 V CB -0.822 31.030 31.823 0.048 0.000 0.664 298 V HN 0.540 nan 8.190 nan 0.000 0.453 299 A N -1.361 121.504 122.820 0.074 0.000 2.095 299 A HA 0.271 4.592 4.320 0.001 0.000 0.212 299 A C 1.202 178.824 177.584 0.064 0.000 1.162 299 A CA 0.412 52.496 52.037 0.080 0.000 0.753 299 A CB 0.009 19.075 19.000 0.110 0.000 0.840 299 A HN 0.384 nan 8.150 nan 0.000 0.468 300 M N 1.711 121.356 119.600 0.074 0.000 2.047 300 M HA 0.325 4.806 4.480 0.001 0.000 0.342 300 M C -0.995 175.401 176.300 0.161 0.000 1.058 300 M CA -0.040 55.349 55.300 0.149 0.000 0.991 300 M CB 0.639 33.337 32.600 0.163 0.000 1.474 300 M HN 0.236 nan 8.290 nan 0.000 0.419 301 Q N 2.230 122.044 119.800 0.023 0.000 2.322 301 Q HA 0.277 4.617 4.340 0.001 0.000 0.256 301 Q C -0.085 175.677 176.000 -0.395 0.000 0.960 301 Q CA -0.361 55.378 55.803 -0.107 0.000 0.934 301 Q CB 2.064 30.753 28.738 -0.082 0.000 1.200 301 Q HN 0.463 nan 8.270 nan 0.000 0.435 302 K N 2.709 122.840 120.400 -0.449 0.000 2.511 302 K HA -0.165 4.156 4.320 0.001 0.000 0.280 302 K C -0.382 175.936 176.600 -0.471 0.000 1.008 302 K CA 0.611 56.470 56.287 -0.713 0.000 1.050 302 K CB 0.295 32.649 32.500 -0.243 0.000 0.889 302 K HN 0.600 nan 8.250 nan 0.000 0.484 303 D N 1.514 121.612 120.400 -0.504 0.000 2.911 303 D HA -0.164 4.477 4.640 0.001 0.000 0.199 303 D C 0.356 176.531 176.300 -0.207 0.000 1.041 303 D CA 1.117 54.962 54.000 -0.258 0.000 1.013 303 D CB -0.821 39.884 40.800 -0.157 0.000 1.093 303 D HN 0.324 nan 8.370 nan 0.000 0.431 304 V N -0.344 119.414 119.914 -0.259 0.000 3.054 304 V HA 0.061 4.182 4.120 0.001 0.000 0.227 304 V C 1.728 177.761 176.094 -0.101 0.000 1.252 304 V CA 0.862 63.076 62.300 -0.143 0.000 1.279 304 V CB 0.221 31.979 31.823 -0.108 0.000 1.118 304 V HN -0.037 nan 8.190 nan 0.000 0.504 305 D N -0.526 119.806 120.400 -0.115 0.000 2.213 305 D HA 0.072 4.712 4.640 0.001 0.000 0.205 305 D C 0.214 176.609 176.300 0.158 0.000 0.961 305 D CA 1.188 55.224 54.000 0.059 0.000 0.853 305 D CB 0.576 41.473 40.800 0.162 0.000 0.967 305 D HN 0.595 nan 8.370 nan 0.000 0.496 306 Y N -2.183 118.139 120.300 0.037 0.000 2.728 306 Y HA 0.616 5.167 4.550 0.001 0.000 0.330 306 Y C -1.195 174.704 175.900 -0.001 0.000 1.234 306 Y CA -1.305 56.816 58.100 0.035 0.000 1.070 306 Y CB 1.186 39.690 38.460 0.073 0.000 1.300 306 Y HN -0.372 nan 8.280 nan 0.000 0.467 307 V N 1.512 121.554 119.914 0.214 0.000 2.760 307 V HA 0.493 4.614 4.120 0.001 0.000 0.309 307 V C -1.067 175.127 176.094 0.166 0.000 1.077 307 V CA -0.968 61.390 62.300 0.098 0.000 0.910 307 V CB 2.183 34.023 31.823 0.028 0.000 1.008 307 V HN 0.731 nan 8.190 nan 0.000 0.424 308 V N 4.199 124.186 119.914 0.122 0.000 2.406 308 V HA 0.357 4.477 4.120 0.001 0.000 0.272 308 V C 0.711 176.835 176.094 0.051 0.000 1.043 308 V CA 0.106 62.463 62.300 0.096 0.000 0.915 308 V CB 1.261 33.137 31.823 0.088 0.000 0.988 308 V HN 1.035 nan 8.190 nan 0.000 0.466 309 E N 3.704 123.931 120.200 0.044 0.000 2.184 309 E HA 0.054 4.404 4.350 0.001 0.000 0.194 309 E C -0.121 176.492 176.600 0.021 0.000 0.978 309 E CA 0.375 56.791 56.400 0.027 0.000 0.998 309 E CB 0.581 30.296 29.700 0.024 0.000 1.240 309 E HN 0.695 nan 8.360 nan 0.000 0.492 310 D N -0.892 119.521 120.400 0.021 0.000 2.749 310 D HA 0.318 4.959 4.640 0.001 0.000 0.338 310 D C -0.393 175.919 176.300 0.019 0.000 1.236 310 D CA 0.557 54.567 54.000 0.017 0.000 0.845 310 D CB 0.257 41.064 40.800 0.012 0.000 1.080 310 D HN 0.526 nan 8.370 nan 0.000 0.497 311 G N 1.790 110.603 108.800 0.023 0.000 2.221 311 G HA2 -0.254 3.706 3.960 0.001 0.000 0.265 311 G HA3 -0.254 3.706 3.960 0.001 0.000 0.265 311 G C -0.003 174.914 174.900 0.029 0.000 1.041 311 G CA 0.159 45.274 45.100 0.024 0.000 0.807 311 G HN 0.430 nan 8.290 nan 0.000 0.502 312 Q N -1.522 118.300 119.800 0.037 0.000 2.501 312 Q HA 0.629 4.969 4.340 0.001 0.000 0.288 312 Q C -0.845 175.194 176.000 0.065 0.000 1.051 312 Q CA -0.961 54.872 55.803 0.049 0.000 0.788 312 Q CB 2.761 31.524 28.738 0.042 0.000 1.469 312 Q HN 0.239 nan 8.270 nan 0.000 0.416 313 V N 1.346 121.315 119.914 0.092 0.000 2.370 313 V HA 0.406 4.526 4.120 0.001 0.000 0.283 313 V C -0.363 175.793 176.094 0.104 0.000 1.023 313 V CA -0.579 61.757 62.300 0.061 0.000 0.857 313 V CB 1.609 33.354 31.823 -0.131 0.000 0.985 313 V HN 0.485 nan 8.190 nan 0.000 0.443 314 V N 6.278 126.246 119.914 0.090 0.000 2.628 314 V HA 0.569 4.690 4.120 0.001 0.000 0.306 314 V C -0.602 175.517 176.094 0.041 0.000 1.045 314 V CA -0.691 61.640 62.300 0.052 0.000 0.905 314 V CB 2.105 33.948 31.823 0.032 0.000 0.997 314 V HN 0.724 nan 8.190 nan 0.000 0.436 315 I N 6.811 127.354 120.570 -0.045 0.000 2.377 315 I HA 0.612 4.782 4.170 0.001 0.000 0.293 315 I C -0.841 175.233 176.117 -0.072 0.000 0.987 315 I CA -0.357 60.901 61.300 -0.071 0.000 1.185 315 I CB 1.741 39.574 38.000 -0.279 0.000 1.341 315 I HN 0.444 nan 8.210 nan 0.000 0.455 316 V N 6.556 126.434 119.914 -0.059 0.000 2.495 316 V HA 0.667 4.787 4.120 0.001 0.000 0.298 316 V C -0.655 175.324 176.094 -0.193 0.000 1.031 316 V CA 0.203 62.443 62.300 -0.100 0.000 0.871 316 V CB 1.625 33.404 31.823 -0.074 0.000 0.988 316 V HN 0.989 nan 8.190 nan 0.000 0.432 317 D N 2.686 122.937 120.400 -0.248 0.000 1.478 317 D HA 0.048 4.688 4.640 0.001 0.000 0.685 317 D C 0.581 176.606 176.300 -0.459 0.000 0.911 317 D CA 0.684 54.389 54.000 -0.492 0.000 1.182 317 D CB 0.225 40.519 40.800 -0.844 0.000 2.087 317 D HN 0.994 nan 8.370 nan 0.000 0.404 318 S N 0.390 115.932 115.700 -0.263 0.000 3.559 318 S HA -0.223 4.248 4.470 0.001 0.000 0.369 318 S C -0.364 174.191 174.600 -0.076 0.000 0.987 318 S CA 0.233 58.376 58.200 -0.095 0.000 1.187 318 S CB -1.954 61.220 63.200 -0.044 0.000 0.914 318 S HN 0.312 nan 8.310 nan 0.000 0.480 319 F N 1.063 121.035 119.950 0.036 0.000 2.456 319 F HA 0.505 5.032 4.527 0.001 0.000 0.358 319 F C 1.062 176.878 175.800 0.027 0.000 1.095 319 F CA -0.516 57.502 58.000 0.031 0.000 1.216 319 F CB 1.136 40.156 39.000 0.032 0.000 1.125 319 F HN 0.136 nan 8.300 nan 0.000 0.549 320 T N 1.738 116.424 114.554 0.219 0.000 2.886 320 T HA 0.702 5.052 4.350 0.001 0.000 0.292 320 T C 0.079 174.794 174.700 0.025 0.000 1.012 320 T CA 0.071 62.249 62.100 0.130 0.000 0.982 320 T CB 1.469 70.444 68.868 0.178 0.000 1.018 320 T HN 0.929 nan 8.240 nan 0.000 0.451 321 G N 3.463 112.234 108.800 -0.048 0.000 2.693 321 G HA2 0.234 4.195 3.960 0.001 0.000 0.119 321 G HA3 0.234 4.195 3.960 0.001 0.000 0.119 321 G C -0.723 174.148 174.900 -0.048 0.000 1.063 321 G CA -0.540 44.541 45.100 -0.031 0.000 1.405 321 G HN 0.821 nan 8.290 nan 0.000 0.626 322 R N 1.023 121.494 120.500 -0.047 0.000 2.346 322 R HA 0.590 4.930 4.340 0.001 0.000 0.311 322 R C -0.200 176.063 176.300 -0.062 0.000 0.983 322 R CA -0.613 55.461 56.100 -0.045 0.000 0.880 322 R CB 1.449 31.733 30.300 -0.028 0.000 1.100 322 R HN 0.753 nan 8.270 nan 0.000 0.453 323 L N 2.764 123.951 121.223 -0.060 0.000 2.499 323 L HA 0.274 4.615 4.340 0.001 0.000 0.273 323 L C -0.620 176.219 176.870 -0.053 0.000 1.195 323 L CA 0.424 55.224 54.840 -0.065 0.000 0.882 323 L CB 0.210 42.239 42.059 -0.049 0.000 1.133 323 L HN 0.753 nan 8.230 nan 0.000 0.483 324 M N 4.104 123.667 119.600 -0.061 0.000 2.152 324 M HA 0.315 4.796 4.480 0.001 0.000 0.354 324 M C 0.999 177.269 176.300 -0.050 0.000 1.173 324 M CA 0.066 55.337 55.300 -0.049 0.000 1.110 324 M CB 0.953 33.523 32.600 -0.049 0.000 1.366 324 M HN 0.759 nan 8.290 nan 0.000 0.415 325 K N 0.782 121.159 120.400 -0.037 0.000 2.097 325 K HA -0.005 4.315 4.320 0.001 0.000 0.206 325 K C 1.421 177.999 176.600 -0.036 0.000 1.049 325 K CA 1.391 57.659 56.287 -0.031 0.000 0.933 325 K CB -0.146 32.342 32.500 -0.020 0.000 0.717 325 K HN 0.760 nan 8.250 nan 0.000 0.442 326 G N 1.180 109.956 108.800 -0.041 0.000 3.393 326 G HA2 0.036 3.997 3.960 0.001 0.000 0.255 326 G HA3 0.036 3.997 3.960 0.001 0.000 0.255 326 G C -0.145 174.706 174.900 -0.082 0.000 1.097 326 G CA -0.574 44.496 45.100 -0.051 0.000 0.780 326 G HN -0.029 nan 8.290 nan 0.000 0.540 327 R N 1.033 121.483 120.500 -0.084 0.000 2.641 327 R HA 0.398 4.738 4.340 0.001 0.000 0.269 327 R C -0.254 175.946 176.300 -0.167 0.000 1.074 327 R CA 0.075 56.113 56.100 -0.105 0.000 1.133 327 R CB 0.565 30.818 30.300 -0.079 0.000 1.029 327 R HN 0.263 nan 8.270 nan 0.000 0.488 328 R N 1.863 122.242 120.500 -0.200 0.000 2.532 328 R HA 0.264 4.604 4.340 0.001 0.000 0.297 328 R C -0.623 175.673 176.300 -0.006 0.000 0.984 328 R CA -0.984 54.943 56.100 -0.288 0.000 0.884 328 R CB 0.767 30.581 30.300 -0.810 0.000 1.182 328 R HN 0.433 nan 8.270 nan 0.000 0.442 329 Y N 0.678 121.141 120.300 0.271 0.000 2.709 329 Y HA 0.065 4.615 4.550 0.001 0.000 0.348 329 Y C 1.104 177.075 175.900 0.118 0.000 1.267 329 Y CA -0.741 57.455 58.100 0.160 0.000 1.486 329 Y CB -0.154 38.383 38.460 0.129 0.000 1.356 329 Y HN 0.644 nan 8.280 nan 0.000 0.639 330 S N -1.130 114.728 115.700 0.264 0.000 2.718 330 S HA 0.405 4.876 4.470 0.001 0.000 0.292 330 S C -0.247 174.438 174.600 0.141 0.000 1.125 330 S CA -0.551 57.744 58.200 0.158 0.000 1.013 330 S CB 0.866 64.134 63.200 0.113 0.000 1.192 330 S HN 0.752 nan 8.310 nan 0.000 0.535 331 E N -0.281 119.991 120.200 0.120 0.000 2.513 331 E HA -0.196 4.154 4.350 0.001 0.000 0.257 331 E C 0.791 177.516 176.600 0.209 0.000 1.098 331 E CA 0.347 56.843 56.400 0.159 0.000 0.752 331 E CB -2.378 27.428 29.700 0.176 0.000 1.324 331 E HN 1.452 nan 8.360 nan 0.000 0.403 332 G N -0.056 108.836 108.800 0.153 0.000 2.175 332 G HA2 -0.382 3.579 3.960 0.001 0.000 0.265 332 G HA3 -0.382 3.579 3.960 0.001 0.000 0.265 332 G C 0.734 175.669 174.900 0.058 0.000 0.979 332 G CA 0.740 45.923 45.100 0.137 0.000 0.663 332 G HN 0.377 nan 8.290 nan 0.000 0.533 333 L N -0.276 120.973 121.223 0.043 0.000 2.109 333 L HA 0.204 4.544 4.340 0.001 0.000 0.207 333 L C 2.276 179.112 176.870 -0.057 0.000 1.086 333 L CA 2.875 57.681 54.840 -0.057 0.000 0.760 333 L CB -0.547 41.425 42.059 -0.145 0.000 0.910 333 L HN 0.438 nan 8.230 nan 0.000 0.437 334 H N -1.071 118.004 119.070 0.007 0.000 2.321 334 H HA -0.180 4.377 4.556 0.001 0.000 0.300 334 H C 2.227 177.495 175.328 -0.101 0.000 1.087 334 H CA 2.096 58.170 56.048 0.044 0.000 1.319 334 H CB 0.226 30.047 29.762 0.099 0.000 1.379 334 H HN 0.384 nan 8.280 nan 0.000 0.501 335 Q N -0.133 119.642 119.800 -0.041 0.000 2.084 335 Q HA -0.076 4.265 4.340 0.001 0.000 0.202 335 Q C 2.453 178.314 176.000 -0.231 0.000 0.978 335 Q CA 1.421 57.048 55.803 -0.294 0.000 0.844 335 Q CB -0.278 27.949 28.738 -0.850 0.000 0.898 335 Q HN 0.567 nan 8.270 nan 0.000 0.426 336 A N 0.292 123.037 122.820 -0.125 0.000 1.978 336 A HA -0.171 4.149 4.320 0.001 0.000 0.220 336 A C 2.006 179.553 177.584 -0.061 0.000 1.170 336 A CA 1.234 53.262 52.037 -0.015 0.000 0.636 336 A CB -0.647 18.357 19.000 0.006 0.000 0.810 336 A HN 0.378 nan 8.150 nan 0.000 0.448 337 I N -0.877 119.590 120.570 -0.171 0.000 2.406 337 I HA -0.181 3.990 4.170 0.001 0.000 0.249 337 I C 2.272 178.270 176.117 -0.198 0.000 1.122 337 I CA 1.195 62.325 61.300 -0.283 0.000 1.431 337 I CB -0.448 37.210 38.000 -0.570 0.000 1.087 337 I HN 0.409 nan 8.210 nan 0.000 0.424 338 E N 1.197 121.314 120.200 -0.138 0.000 2.204 338 E HA -0.150 4.201 4.350 0.001 0.000 0.194 338 E C 2.281 178.865 176.600 -0.027 0.000 0.989 338 E CA 1.117 57.475 56.400 -0.069 0.000 0.824 338 E CB -0.081 29.592 29.700 -0.044 0.000 0.756 338 E HN 0.483 nan 8.360 nan 0.000 0.477 339 A N 1.496 124.309 122.820 -0.012 0.000 1.929 339 A HA -0.172 4.148 4.320 0.001 0.000 0.216 339 A C 2.032 179.658 177.584 0.069 0.000 1.176 339 A CA 1.352 53.420 52.037 0.053 0.000 0.628 339 A CB -0.240 18.823 19.000 0.106 0.000 0.816 339 A HN 0.057 nan 8.150 nan 0.000 0.444 340 K N -0.094 120.333 120.400 0.045 0.000 2.002 340 K HA -0.196 4.125 4.320 0.001 0.000 0.209 340 K C 1.848 178.456 176.600 0.013 0.000 1.048 340 K CA 1.802 58.108 56.287 0.033 0.000 0.930 340 K CB -0.112 32.321 32.500 -0.111 0.000 0.714 340 K HN 0.392 nan 8.250 nan 0.000 0.438 341 E N -0.654 119.544 120.200 -0.004 0.000 2.072 341 E HA -0.063 4.288 4.350 0.001 0.000 0.191 341 E C 1.841 178.456 176.600 0.025 0.000 0.985 341 E CA 1.187 57.595 56.400 0.014 0.000 0.801 341 E CB -0.612 29.098 29.700 0.017 0.000 0.750 341 E HN 0.608 nan 8.360 nan 0.000 0.452 342 G N 1.854 110.673 108.800 0.031 0.000 3.639 342 G HA2 -0.363 3.598 3.960 0.001 0.000 0.224 342 G HA3 -0.363 3.598 3.960 0.001 0.000 0.224 342 G C 0.532 175.447 174.900 0.025 0.000 1.339 342 G CA 0.823 45.940 45.100 0.028 0.000 0.933 342 G HN 0.260 nan 8.290 nan 0.000 0.568 343 L N 2.567 123.802 121.223 0.020 0.000 2.543 343 L HA 0.272 4.612 4.340 0.001 0.000 0.285 343 L C 1.242 178.122 176.870 0.016 0.000 1.236 343 L CA 0.576 55.427 54.840 0.018 0.000 0.871 343 L CB -0.002 42.066 42.059 0.015 0.000 1.121 343 L HN 0.774 nan 8.230 nan 0.000 0.501 344 E N 3.502 123.713 120.200 0.018 0.000 2.398 344 E HA 0.235 4.585 4.350 0.001 0.000 0.263 344 E C -0.522 176.082 176.600 0.007 0.000 1.046 344 E CA -0.678 55.733 56.400 0.018 0.000 0.908 344 E CB 0.893 30.604 29.700 0.019 0.000 0.963 344 E HN 0.422 nan 8.360 nan 0.000 0.431 345 I N 2.041 122.614 120.570 0.004 0.000 2.452 345 I HA 0.034 4.205 4.170 0.001 0.000 0.287 345 I C 0.472 176.577 176.117 -0.020 0.000 1.079 345 I CA -0.539 60.741 61.300 -0.033 0.000 1.387 345 I CB 0.382 38.364 38.000 -0.030 0.000 1.404 345 I HN 0.539 nan 8.210 nan 0.000 0.522 346 Q N 5.669 125.447 119.800 -0.037 0.000 2.364 346 Q HA 0.201 4.541 4.340 0.001 0.000 0.267 346 Q C -0.039 175.952 176.000 -0.015 0.000 0.999 346 Q CA 0.175 55.962 55.803 -0.027 0.000 0.886 346 Q CB 0.535 29.246 28.738 -0.045 0.000 1.243 346 Q HN 0.531 nan 8.270 nan 0.000 0.415 347 N N 2.148 120.850 118.700 0.003 0.000 2.371 347 N HA 0.130 4.870 4.740 0.001 0.000 0.243 347 N C -0.450 175.073 175.510 0.022 0.000 1.287 347 N CA 0.162 53.225 53.050 0.023 0.000 0.911 347 N CB 0.647 39.148 38.487 0.023 0.000 1.142 347 N HN 0.470 nan 8.380 nan 0.000 0.451 348 E N -1.155 119.071 120.200 0.043 0.000 2.647 348 E HA 0.155 4.505 4.350 0.001 0.000 0.320 348 E C -1.637 174.996 176.600 0.054 0.000 0.951 348 E CA -0.859 55.568 56.400 0.045 0.000 0.809 348 E CB 0.496 30.231 29.700 0.058 0.000 1.295 348 E HN 0.459 nan 8.360 nan 0.000 0.407 349 S N 4.089 119.814 115.700 0.042 0.000 2.586 349 S HA 0.474 4.945 4.470 0.001 0.000 0.274 349 S C 0.792 175.417 174.600 0.042 0.000 1.281 349 S CA -0.991 57.234 58.200 0.041 0.000 1.035 349 S CB 0.847 64.066 63.200 0.032 0.000 0.962 349 S HN 0.529 nan 8.310 nan 0.000 0.512 350 M N 2.771 122.395 119.600 0.040 0.000 2.245 350 M HA 0.146 4.627 4.480 0.001 0.000 0.330 350 M C 0.862 177.181 176.300 0.033 0.000 1.098 350 M CA 0.120 55.440 55.300 0.033 0.000 1.172 350 M CB 0.409 33.024 32.600 0.026 0.000 1.467 350 M HN 0.959 nan 8.290 nan 0.000 0.454 351 T N 0.033 114.601 114.554 0.024 0.000 2.845 351 T HA 0.402 4.752 4.350 0.001 0.000 0.288 351 T C 0.624 175.352 174.700 0.047 0.000 0.980 351 T CA -0.841 61.282 62.100 0.039 0.000 1.071 351 T CB 1.050 69.940 68.868 0.037 0.000 0.941 351 T HN 0.433 nan 8.240 nan 0.000 0.487 352 L N 2.568 123.845 121.223 0.089 0.000 2.408 352 L HA 0.595 4.935 4.340 0.001 0.000 0.215 352 L C 1.238 178.253 176.870 0.242 0.000 1.081 352 L CA 0.706 55.629 54.840 0.138 0.000 0.840 352 L CB -0.699 41.431 42.059 0.119 0.000 1.002 352 L HN 1.036 nan 8.230 nan 0.000 0.468 353 A N -1.978 120.978 122.820 0.227 0.000 2.540 353 A HA 0.666 4.987 4.320 0.001 0.000 0.297 353 A C -0.698 177.032 177.584 0.244 0.000 1.056 353 A CA -0.285 51.949 52.037 0.328 0.000 0.700 353 A CB 1.476 20.659 19.000 0.305 0.000 1.280 353 A HN -0.103 nan 8.150 nan 0.000 0.398 354 T N 1.298 116.011 114.554 0.264 0.000 2.923 354 T HA 0.736 5.086 4.350 0.001 0.000 0.311 354 T C -1.518 173.278 174.700 0.161 0.000 1.183 354 T CA -0.234 61.964 62.100 0.163 0.000 1.020 354 T CB 0.877 69.806 68.868 0.102 0.000 1.165 354 T HN 1.256 nan 8.240 nan 0.000 0.482 355 I N 2.634 123.242 120.570 0.064 0.000 2.908 355 I HA 0.588 4.758 4.170 0.001 0.000 0.300 355 I C -0.293 175.762 176.117 -0.102 0.000 1.385 355 I CA -0.561 60.762 61.300 0.039 0.000 1.004 355 I CB 2.446 40.515 38.000 0.115 0.000 1.309 355 I HN 0.833 nan 8.210 nan 0.000 0.449 356 T N 1.326 115.846 114.554 -0.058 0.000 2.936 356 T HA 0.433 4.784 4.350 0.001 0.000 0.282 356 T C 0.779 175.444 174.700 -0.058 0.000 1.003 356 T CA -0.257 61.782 62.100 -0.101 0.000 1.005 356 T CB 1.001 69.897 68.868 0.047 0.000 1.097 356 T HN 0.431 nan 8.240 nan 0.000 0.532 357 F N 0.198 120.251 119.950 0.171 0.000 2.186 357 F HA -0.038 4.489 4.527 0.001 0.000 0.299 357 F C 3.057 179.107 175.800 0.418 0.000 1.090 357 F CA 1.047 59.223 58.000 0.294 0.000 1.307 357 F CB -0.150 39.055 39.000 0.341 0.000 1.019 357 F HN 0.611 nan 8.300 nan 0.000 0.489 358 Q N 0.978 121.080 119.800 0.503 0.000 2.061 358 Q HA -0.229 4.112 4.340 0.001 0.000 0.204 358 Q C 1.706 177.916 176.000 0.349 0.000 0.984 358 Q CA 1.752 57.838 55.803 0.472 0.000 0.846 358 Q CB -0.332 28.571 28.738 0.275 0.000 0.902 358 Q HN 0.346 nan 8.270 nan 0.000 0.421 359 N N -0.186 118.645 118.700 0.218 0.000 2.216 359 N HA -0.136 4.605 4.740 0.001 0.000 0.183 359 N C 1.556 177.111 175.510 0.076 0.000 1.017 359 N CA 1.038 54.163 53.050 0.125 0.000 0.861 359 N CB -0.619 37.921 38.487 0.088 0.000 0.986 359 N HN 0.338 nan 8.380 nan 0.000 0.428 360 Y N 0.495 120.764 120.300 -0.051 0.000 2.145 360 Y HA -0.107 4.443 4.550 0.001 0.000 0.286 360 Y C 1.770 177.572 175.900 -0.163 0.000 1.145 360 Y CA 1.509 59.458 58.100 -0.251 0.000 1.148 360 Y CB -0.653 37.574 38.460 -0.390 0.000 0.981 360 Y HN -0.054 nan 8.280 nan 0.000 0.507 361 F N -0.043 119.953 119.950 0.077 0.000 2.456 361 F HA 0.013 4.540 4.527 0.001 0.000 0.298 361 F C 2.218 178.089 175.800 0.118 0.000 1.104 361 F CA 0.729 58.771 58.000 0.070 0.000 1.435 361 F CB -0.188 38.887 39.000 0.126 0.000 1.078 361 F HN -0.128 nan 8.300 nan 0.000 0.546 362 R N -0.241 120.414 120.500 0.259 0.000 2.328 362 R HA -0.069 4.271 4.340 0.001 0.000 0.207 362 R C 1.718 178.059 176.300 0.069 0.000 1.056 362 R CA 0.726 56.942 56.100 0.194 0.000 1.016 362 R CB -0.280 30.112 30.300 0.153 0.000 0.872 362 R HN 0.388 nan 8.270 nan 0.000 0.471 363 M N -0.796 118.771 119.600 -0.055 0.000 2.514 363 M HA 0.010 4.491 4.480 0.001 0.000 0.258 363 M C -0.103 176.097 176.300 -0.167 0.000 1.119 363 M CA 0.519 55.714 55.300 -0.175 0.000 1.111 363 M CB 0.199 32.565 32.600 -0.390 0.000 1.390 363 M HN -0.063 nan 8.290 nan 0.000 0.475 364 Y N 1.260 121.477 120.300 -0.137 0.000 2.550 364 Y HA -0.088 4.462 4.550 0.001 0.000 0.343 364 Y C 1.518 177.397 175.900 -0.035 0.000 1.245 364 Y CA 0.485 58.541 58.100 -0.074 0.000 1.462 364 Y CB 0.303 38.747 38.460 -0.027 0.000 1.340 364 Y HN 0.130 nan 8.280 nan 0.000 0.604 365 E N 0.996 121.262 120.200 0.111 0.000 2.106 365 E HA -0.128 4.223 4.350 0.001 0.000 0.192 365 E C 0.190 176.809 176.600 0.032 0.000 0.984 365 E CA 1.022 57.451 56.400 0.049 0.000 0.806 365 E CB 0.226 29.952 29.700 0.044 0.000 0.750 365 E HN 0.338 nan 8.360 nan 0.000 0.458 366 K N 0.332 120.766 120.400 0.055 0.000 2.464 366 K HA 0.408 4.728 4.320 0.001 0.000 0.253 366 K C -1.963 174.765 176.600 0.213 0.000 0.933 366 K CA -0.708 55.593 56.287 0.023 0.000 0.801 366 K CB 1.526 33.858 32.500 -0.279 0.000 1.271 366 K HN -0.136 nan 8.250 nan 0.000 0.430 367 L N 2.544 123.855 121.223 0.147 0.000 2.408 367 L HA 0.845 5.185 4.340 0.001 0.000 0.268 367 L C -1.598 175.307 176.870 0.058 0.000 0.986 367 L CA -0.177 54.692 54.840 0.049 0.000 0.820 367 L CB 1.873 43.933 42.059 0.003 0.000 1.303 367 L HN 0.843 nan 8.230 nan 0.000 0.411 368 A N 2.159 124.938 122.820 -0.069 0.000 2.593 368 A HA 1.015 5.336 4.320 0.001 0.000 0.290 368 A C -0.789 176.652 177.584 -0.239 0.000 1.126 368 A CA -0.030 51.956 52.037 -0.086 0.000 0.695 368 A CB 1.755 20.804 19.000 0.082 0.000 1.290 368 A HN 1.143 nan 8.150 nan 0.000 0.414 369 G N -0.451 108.214 108.800 -0.226 0.000 2.673 369 G HA2 0.700 4.661 3.960 0.001 0.000 0.292 369 G HA3 0.700 4.661 3.960 0.001 0.000 0.292 369 G C -0.978 173.784 174.900 -0.229 0.000 1.450 369 G CA -0.164 44.777 45.100 -0.266 0.000 0.837 369 G HN 1.470 nan 8.290 nan 0.000 0.505 370 M N -0.295 119.186 119.600 -0.199 0.000 2.550 370 M HA 0.906 5.387 4.480 0.001 0.000 0.292 370 M C -0.769 175.449 176.300 -0.138 0.000 1.221 370 M CA -0.913 54.292 55.300 -0.159 0.000 0.873 370 M CB 2.381 34.912 32.600 -0.115 0.000 1.727 370 M HN 0.871 nan 8.290 nan 0.000 0.459 371 T N -0.522 113.963 114.554 -0.116 0.000 2.843 371 T HA 0.447 4.797 4.350 0.001 0.000 0.337 371 T C 0.266 174.926 174.700 -0.067 0.000 1.754 371 T CA 0.109 62.159 62.100 -0.083 0.000 1.052 371 T CB 1.308 70.130 68.868 -0.077 0.000 1.588 371 T HN 0.998 nan 8.240 nan 0.000 0.493 372 G N 0.987 109.761 108.800 -0.043 0.000 2.712 372 G HA2 0.320 4.280 3.960 0.001 0.000 0.212 372 G HA3 0.320 4.280 3.960 0.001 0.000 0.212 372 G C 0.450 175.334 174.900 -0.027 0.000 1.142 372 G CA 0.904 45.986 45.100 -0.031 0.000 0.789 372 G HN 1.279 nan 8.290 nan 0.000 0.535 373 T N -3.781 110.759 114.554 -0.024 0.000 3.066 373 T HA 0.680 5.030 4.350 0.001 0.000 0.318 373 T C -0.034 174.675 174.700 0.015 0.000 0.979 373 T CA 0.060 62.155 62.100 -0.008 0.000 1.025 373 T CB 1.637 70.504 68.868 -0.002 0.000 1.002 373 T HN 0.324 nan 8.240 nan 0.000 0.453 374 A N 2.498 125.326 122.820 0.012 0.000 2.334 374 A HA 0.370 4.690 4.320 0.001 0.000 0.184 374 A C 1.919 179.552 177.584 0.082 0.000 1.594 374 A CA -0.204 51.880 52.037 0.079 0.000 1.162 374 A CB 0.018 18.967 19.000 -0.085 0.000 1.426 374 A HN 0.513 nan 8.150 nan 0.000 0.494 375 K N 1.184 121.592 120.400 0.014 0.000 2.063 375 K HA -0.134 4.186 4.320 0.001 0.000 0.208 375 K C 2.014 178.615 176.600 0.001 0.000 1.048 375 K CA 2.198 58.486 56.287 0.000 0.000 0.928 375 K CB -0.651 31.838 32.500 -0.019 0.000 0.713 375 K HN 0.616 nan 8.250 nan 0.000 0.442 376 T N -1.992 112.557 114.554 -0.008 0.000 3.098 376 T HA -0.055 4.295 4.350 0.001 0.000 0.266 376 T C 1.018 175.683 174.700 -0.058 0.000 1.145 376 T CA 0.986 63.066 62.100 -0.034 0.000 1.092 376 T CB -0.003 68.842 68.868 -0.039 0.000 0.908 376 T HN 0.162 nan 8.240 nan 0.000 0.526 377 E N -0.199 119.988 120.200 -0.020 0.000 2.887 377 E HA 0.231 4.582 4.350 0.001 0.000 0.206 377 E C 1.355 177.956 176.600 0.003 0.000 0.983 377 E CA -0.198 56.147 56.400 -0.091 0.000 1.141 377 E CB 0.343 29.964 29.700 -0.131 0.000 1.061 377 E HN 0.613 nan 8.360 nan 0.000 0.468 378 E N 1.274 121.501 120.200 0.044 0.000 2.086 378 E HA -0.319 4.032 4.350 0.001 0.000 0.200 378 E C 1.168 177.787 176.600 0.032 0.000 1.012 378 E CA 1.666 58.119 56.400 0.089 0.000 0.812 378 E CB 0.211 29.924 29.700 0.023 0.000 0.743 378 E HN 0.340 nan 8.360 nan 0.000 0.453 379 E N 0.092 120.217 120.200 -0.126 0.000 2.077 379 E HA -0.232 4.118 4.350 0.001 0.000 0.193 379 E C 2.127 178.589 176.600 -0.232 0.000 0.989 379 E CA 1.287 57.577 56.400 -0.183 0.000 0.800 379 E CB -0.084 29.424 29.700 -0.320 0.000 0.746 379 E HN 0.312 nan 8.360 nan 0.000 0.452 380 E N 0.038 119.938 120.200 -0.499 0.000 2.085 380 E HA -0.191 4.160 4.350 0.001 0.000 0.194 380 E C 1.664 178.203 176.600 -0.102 0.000 0.994 380 E CA 1.147 57.323 56.400 -0.373 0.000 0.801 380 E CB -0.089 29.316 29.700 -0.492 0.000 0.743 380 E HN 0.206 nan 8.360 nan 0.000 0.453 381 F N 0.126 120.102 119.950 0.043 0.000 2.186 381 F HA -0.097 4.430 4.527 0.001 0.000 0.299 381 F C 2.619 178.504 175.800 0.141 0.000 1.090 381 F CA 1.128 59.226 58.000 0.164 0.000 1.307 381 F CB -0.084 38.959 39.000 0.072 0.000 1.019 381 F HN -0.042 nan 8.300 nan 0.000 0.489 382 R N 0.694 121.338 120.500 0.241 0.000 2.061 382 R HA -0.189 4.151 4.340 0.001 0.000 0.230 382 R C 2.362 178.742 176.300 0.133 0.000 1.140 382 R CA 1.718 57.914 56.100 0.160 0.000 0.940 382 R CB -0.591 29.772 30.300 0.106 0.000 0.839 382 R HN 0.234 nan 8.270 nan 0.000 0.429 383 N N 0.761 119.539 118.700 0.131 0.000 2.058 383 N HA -0.160 4.580 4.740 0.001 0.000 0.191 383 N C 1.886 177.419 175.510 0.039 0.000 1.037 383 N CA 1.765 54.887 53.050 0.121 0.000 0.848 383 N CB -0.065 38.568 38.487 0.243 0.000 1.021 383 N HN 0.276 nan 8.380 nan 0.000 0.422 384 I N -0.778 119.777 120.570 -0.025 0.000 2.333 384 I HA -0.186 3.984 4.170 0.001 0.000 0.246 384 I C 1.131 176.992 176.117 -0.426 0.000 1.106 384 I CA 0.986 62.111 61.300 -0.293 0.000 1.411 384 I CB -0.156 37.525 38.000 -0.532 0.000 1.082 384 I HN 0.116 nan 8.210 nan 0.000 0.420 385 Y N -0.745 119.621 120.300 0.112 0.000 2.481 385 Y HA 0.216 4.767 4.550 0.001 0.000 0.247 385 Y C 0.692 176.651 175.900 0.098 0.000 1.151 385 Y CA -0.434 57.737 58.100 0.119 0.000 1.238 385 Y CB 0.093 38.656 38.460 0.171 0.000 1.179 385 Y HN 0.124 nan 8.280 nan 0.000 0.524 386 N N 1.191 120.003 118.700 0.188 0.000 2.725 386 N HA -0.220 4.520 4.740 0.001 0.000 0.251 386 N C -1.073 174.522 175.510 0.142 0.000 1.031 386 N CA 0.730 53.861 53.050 0.134 0.000 0.720 386 N CB -1.016 37.526 38.487 0.092 0.000 0.930 386 N HN 0.343 nan 8.380 nan 0.000 0.543 387 M N 0.699 120.409 119.600 0.185 0.000 2.393 387 M HA 0.263 4.743 4.480 0.001 0.000 0.316 387 M C -0.006 176.342 176.300 0.080 0.000 1.087 387 M CA -0.649 54.720 55.300 0.115 0.000 0.937 387 M CB 2.045 34.705 32.600 0.100 0.000 1.668 387 M HN 0.066 nan 8.290 nan 0.000 0.438 388 Q N 1.306 121.121 119.800 0.025 0.000 2.299 388 Q HA 0.486 4.827 4.340 0.001 0.000 0.246 388 Q C -0.859 175.101 176.000 -0.068 0.000 0.935 388 Q CA -0.555 55.252 55.803 0.006 0.000 0.887 388 Q CB 1.626 30.376 28.738 0.019 0.000 1.223 388 Q HN 0.451 nan 8.270 nan 0.000 0.439 389 V N 2.722 122.592 119.914 -0.074 0.000 2.370 389 V HA 0.239 4.360 4.120 0.001 0.000 0.279 389 V C -0.420 175.605 176.094 -0.115 0.000 1.029 389 V CA -0.640 61.574 62.300 -0.143 0.000 0.870 389 V CB 1.358 33.106 31.823 -0.125 0.000 0.984 389 V HN 0.501 nan 8.190 nan 0.000 0.451 390 V N 3.999 123.818 119.914 -0.158 0.000 2.370 390 V HA 0.321 4.441 4.120 0.001 0.000 0.279 390 V C 0.477 176.454 176.094 -0.195 0.000 1.029 390 V CA -0.407 61.775 62.300 -0.198 0.000 0.870 390 V CB 1.575 33.203 31.823 -0.325 0.000 0.984 390 V HN 0.884 nan 8.190 nan 0.000 0.451 391 T N 6.799 121.259 114.554 -0.157 0.000 2.723 391 T HA 0.411 4.761 4.350 0.001 0.000 0.297 391 T C 0.078 174.695 174.700 -0.139 0.000 0.925 391 T CA -0.147 61.879 62.100 -0.124 0.000 1.030 391 T CB -0.042 68.778 68.868 -0.080 0.000 0.905 391 T HN 0.295 nan 8.240 nan 0.000 0.502 392 I N 5.930 126.420 120.570 -0.133 0.000 2.371 392 I HA 0.282 4.453 4.170 0.001 0.000 0.290 392 I C -1.882 174.192 176.117 -0.072 0.000 1.028 392 I CA -3.300 57.929 61.300 -0.118 0.000 1.345 392 I CB 0.257 38.194 38.000 -0.106 0.000 1.407 392 I HN 0.296 nan 8.210 nan 0.000 0.501 393 P HA 0.051 nan 4.420 nan 0.000 0.268 393 P C 0.071 177.348 177.300 -0.038 0.000 1.208 393 P CA -0.052 63.024 63.100 -0.039 0.000 0.777 393 P CB 0.258 31.942 31.700 -0.027 0.000 0.875 394 T N -1.291 113.239 114.554 -0.040 0.000 2.899 394 T HA 0.077 4.427 4.350 0.001 0.000 0.295 394 T C 1.231 175.891 174.700 -0.067 0.000 1.033 394 T CA -0.367 61.705 62.100 -0.047 0.000 1.084 394 T CB 0.427 69.269 68.868 -0.044 0.000 0.979 394 T HN 0.251 nan 8.240 nan 0.000 0.532 395 N N 1.380 120.019 118.700 -0.103 0.000 2.069 395 N HA -0.116 4.625 4.740 0.001 0.000 0.191 395 N C 0.441 175.850 175.510 -0.169 0.000 1.031 395 N CA 1.298 54.235 53.050 -0.188 0.000 0.852 395 N CB -0.103 38.153 38.487 -0.385 0.000 1.018 395 N HN 0.608 nan 8.380 nan 0.000 0.423 396 R N -0.433 119.982 120.500 -0.141 0.000 2.854 396 R HA 0.435 4.775 4.340 0.001 0.000 0.271 396 R C -2.542 173.718 176.300 -0.067 0.000 0.996 396 R CA -1.964 54.073 56.100 -0.105 0.000 0.961 396 R CB 0.822 31.055 30.300 -0.111 0.000 1.182 396 R HN 0.034 nan 8.270 nan 0.000 0.479 397 P HA -0.037 nan 4.420 nan 0.000 0.264 397 P C -0.480 176.802 177.300 -0.030 0.000 1.183 397 P CA 0.033 63.112 63.100 -0.035 0.000 0.763 397 P CB 0.412 32.095 31.700 -0.028 0.000 0.807 398 V N 4.735 124.635 119.914 -0.023 0.000 2.427 398 V HA 0.035 4.155 4.120 0.001 0.000 0.268 398 V C 1.457 177.545 176.094 -0.010 0.000 1.046 398 V CA 0.225 62.516 62.300 -0.015 0.000 0.970 398 V CB 0.871 32.688 31.823 -0.011 0.000 1.001 398 V HN 0.487 nan 8.190 nan 0.000 0.476 399 V N 2.172 122.082 119.914 -0.008 0.000 3.528 399 V HA 0.327 4.447 4.120 0.001 0.000 0.294 399 V C 1.047 177.142 176.094 0.002 0.000 1.404 399 V CA -0.225 62.073 62.300 -0.004 0.000 1.065 399 V CB -0.487 31.332 31.823 -0.006 0.000 0.904 399 V HN 0.746 nan 8.190 nan 0.000 0.435 400 R N 1.974 122.477 120.500 0.005 0.000 2.619 400 R HA -0.046 4.295 4.340 0.001 0.000 0.268 400 R C -0.344 175.965 176.300 0.016 0.000 0.990 400 R CA 0.658 56.765 56.100 0.012 0.000 1.092 400 R CB 0.168 30.478 30.300 0.017 0.000 0.935 400 R HN 0.488 nan 8.270 nan 0.000 0.415 401 D N 2.901 123.312 120.400 0.018 0.000 2.428 401 D HA 0.090 4.730 4.640 0.001 0.000 0.221 401 D C -1.182 175.136 176.300 0.031 0.000 1.123 401 D CA -0.311 53.701 54.000 0.020 0.000 0.869 401 D CB 0.601 41.411 40.800 0.016 0.000 1.032 401 D HN 0.325 nan 8.370 nan 0.000 0.506 402 D N 3.782 124.204 120.400 0.037 0.000 2.411 402 D HA 0.185 4.826 4.640 0.001 0.000 0.225 402 D C 0.481 176.812 176.300 0.052 0.000 1.156 402 D CA -0.225 53.811 54.000 0.060 0.000 0.874 402 D CB 0.808 41.648 40.800 0.067 0.000 1.034 402 D HN 0.285 nan 8.370 nan 0.000 0.502 403 R N 2.324 122.857 120.500 0.056 0.000 2.500 403 R HA 0.394 4.734 4.340 0.001 0.000 0.275 403 R C -2.177 174.146 176.300 0.037 0.000 1.051 403 R CA -1.550 54.569 56.100 0.032 0.000 1.088 403 R CB 0.326 30.635 30.300 0.015 0.000 1.063 403 R HN 0.120 nan 8.270 nan 0.000 0.511 404 P HA -0.020 nan 4.420 nan 0.000 0.269 404 P C -0.933 176.360 177.300 -0.011 0.000 1.209 404 P CA 0.002 63.100 63.100 -0.003 0.000 0.776 404 P CB 0.392 32.080 31.700 -0.020 0.000 0.876 405 D N 1.270 121.667 120.400 -0.004 0.000 2.419 405 D HA 0.069 4.709 4.640 0.001 0.000 0.236 405 D C 0.143 176.405 176.300 -0.064 0.000 1.165 405 D CA 0.489 54.487 54.000 -0.004 0.000 0.882 405 D CB 0.211 41.018 40.800 0.013 0.000 1.201 405 D HN 0.215 nan 8.370 nan 0.000 0.443 406 L N 2.094 123.250 121.223 -0.113 0.000 2.296 406 L HA 0.331 4.671 4.340 0.001 0.000 0.286 406 L C -0.276 176.568 176.870 -0.044 0.000 1.023 406 L CA -0.773 53.978 54.840 -0.149 0.000 0.812 406 L CB 1.219 43.119 42.059 -0.265 0.000 1.223 406 L HN 0.112 nan 8.230 nan 0.000 0.421 407 I N 3.558 124.061 120.570 -0.112 0.000 2.339 407 I HA 0.325 4.496 4.170 0.001 0.000 0.290 407 I C -0.329 175.692 176.117 -0.160 0.000 0.994 407 I CA -0.440 60.833 61.300 -0.045 0.000 1.191 407 I CB 0.986 38.964 38.000 -0.037 0.000 1.343 407 I HN 0.422 nan 8.210 nan 0.000 0.458 408 Y N 4.431 124.747 120.300 0.026 0.000 2.567 408 Y HA 0.404 4.955 4.550 0.001 0.000 0.333 408 Y C 1.465 177.368 175.900 0.005 0.000 1.106 408 Y CA -0.650 57.463 58.100 0.021 0.000 1.157 408 Y CB 1.563 40.035 38.460 0.020 0.000 1.277 408 Y HN 0.453 nan 8.280 nan 0.000 0.490 409 R N -0.111 120.491 120.500 0.170 0.000 2.127 409 R HA 0.034 4.375 4.340 0.001 0.000 0.217 409 R C -0.144 176.195 176.300 0.065 0.000 1.074 409 R CA 1.272 57.425 56.100 0.089 0.000 0.991 409 R CB 0.086 30.427 30.300 0.067 0.000 0.895 409 R HN 0.773 nan 8.270 nan 0.000 0.450 410 T N -3.709 110.883 114.554 0.063 0.000 2.900 410 T HA 0.255 4.606 4.350 0.001 0.000 0.295 410 T C 0.736 175.381 174.700 -0.090 0.000 1.044 410 T CA -0.861 61.237 62.100 -0.003 0.000 0.995 410 T CB 1.749 70.617 68.868 0.001 0.000 1.072 410 T HN 0.056 nan 8.240 nan 0.000 0.473 411 M N 0.948 120.460 119.600 -0.147 0.000 2.080 411 M HA -0.079 4.401 4.480 0.001 0.000 0.260 411 M C 2.239 178.268 176.300 -0.452 0.000 1.068 411 M CA 1.913 56.994 55.300 -0.367 0.000 1.109 411 M CB -0.342 32.111 32.600 -0.246 0.000 1.342 411 M HN 0.896 nan 8.290 nan 0.000 0.405 412 E N -0.742 119.369 120.200 -0.147 0.000 2.058 412 E HA -0.191 4.159 4.350 0.001 0.000 0.194 412 E C 1.905 178.444 176.600 -0.102 0.000 0.997 412 E CA 1.243 57.623 56.400 -0.032 0.000 0.801 412 E CB -0.427 29.284 29.700 0.018 0.000 0.746 412 E HN 0.715 nan 8.360 nan 0.000 0.450 413 G N 1.583 110.310 108.800 -0.121 0.000 2.440 413 G HA2 -0.321 3.640 3.960 0.001 0.000 0.218 413 G HA3 -0.321 3.640 3.960 0.001 0.000 0.218 413 G C 1.482 176.116 174.900 -0.443 0.000 1.154 413 G CA 0.824 45.837 45.100 -0.145 0.000 0.767 413 G HN 0.100 nan 8.290 nan 0.000 0.552 414 K N -0.128 119.947 120.400 -0.542 0.000 2.032 414 K HA -0.058 4.262 4.320 0.001 0.000 0.209 414 K C 2.303 178.579 176.600 -0.540 0.000 1.048 414 K CA 1.174 57.013 56.287 -0.746 0.000 0.927 414 K CB -0.376 31.808 32.500 -0.527 0.000 0.712 414 K HN 0.446 nan 8.250 nan 0.000 0.441 415 F N 1.044 120.825 119.950 -0.282 0.000 2.134 415 F HA -0.190 4.338 4.527 0.001 0.000 0.299 415 F C 2.649 178.290 175.800 -0.264 0.000 1.097 415 F CA 0.911 58.759 58.000 -0.253 0.000 1.264 415 F CB -0.118 38.785 39.000 -0.162 0.000 1.001 415 F HN 0.090 nan 8.300 nan 0.000 0.479 416 K N 0.823 121.195 120.400 -0.048 0.000 2.063 416 K HA -0.209 4.111 4.320 0.001 0.000 0.208 416 K C 2.143 178.661 176.600 -0.136 0.000 1.048 416 K CA 1.309 57.548 56.287 -0.081 0.000 0.928 416 K CB -0.254 32.208 32.500 -0.063 0.000 0.713 416 K HN 0.213 nan 8.250 nan 0.000 0.442 417 A N 0.255 122.923 122.820 -0.253 0.000 1.929 417 A HA -0.063 4.257 4.320 0.001 0.000 0.216 417 A C 2.190 179.605 177.584 -0.282 0.000 1.176 417 A CA 1.285 53.202 52.037 -0.199 0.000 0.628 417 A CB -0.448 18.391 19.000 -0.268 0.000 0.816 417 A HN 0.158 nan 8.150 nan 0.000 0.444 418 V N 0.020 119.615 119.914 -0.531 0.000 2.287 418 V HA -0.287 3.833 4.120 0.001 0.000 0.248 418 V C 3.069 179.003 176.094 -0.267 0.000 1.053 418 V CA 2.049 63.993 62.300 -0.593 0.000 1.027 418 V CB -1.222 30.304 31.823 -0.495 0.000 0.646 418 V HN 0.609 nan 8.190 nan 0.000 0.447 419 A N -0.802 121.907 122.820 -0.185 0.000 1.902 419 A HA -0.208 4.112 4.320 0.001 0.000 0.217 419 A C 2.232 179.767 177.584 -0.083 0.000 1.181 419 A CA 1.666 53.624 52.037 -0.132 0.000 0.623 419 A CB -0.450 18.481 19.000 -0.114 0.000 0.818 419 A HN 0.499 nan 8.150 nan 0.000 0.443 420 E N 0.105 120.269 120.200 -0.059 0.000 2.058 420 E HA -0.209 4.142 4.350 0.001 0.000 0.194 420 E C 1.768 178.376 176.600 0.013 0.000 0.997 420 E CA 1.406 57.801 56.400 -0.009 0.000 0.801 420 E CB -0.462 29.247 29.700 0.015 0.000 0.746 420 E HN 0.612 nan 8.360 nan 0.000 0.450 421 D N 0.316 120.725 120.400 0.015 0.000 2.116 421 D HA -0.137 4.504 4.640 0.001 0.000 0.193 421 D C 2.035 178.357 176.300 0.036 0.000 0.998 421 D CA 1.149 55.184 54.000 0.058 0.000 0.836 421 D CB -0.045 40.823 40.800 0.113 0.000 0.951 421 D HN -0.012 nan 8.370 nan 0.000 0.449 422 V N 1.180 121.088 119.914 -0.010 0.000 2.343 422 V HA -0.219 3.901 4.120 0.001 0.000 0.247 422 V C 2.699 178.819 176.094 0.043 0.000 1.051 422 V CA 1.822 64.121 62.300 -0.003 0.000 1.036 422 V CB -1.011 30.771 31.823 -0.069 0.000 0.654 422 V HN 0.293 nan 8.190 nan 0.000 0.451 423 A N -0.718 122.118 122.820 0.026 0.000 1.883 423 A HA -0.300 4.021 4.320 0.001 0.000 0.217 423 A C 2.163 179.821 177.584 0.123 0.000 1.186 423 A CA 2.105 54.187 52.037 0.074 0.000 0.624 423 A CB -0.605 18.416 19.000 0.035 0.000 0.822 423 A HN 0.499 nan 8.150 nan 0.000 0.444 424 Q N -0.352 119.496 119.800 0.079 0.000 2.061 424 Q HA -0.128 4.213 4.340 0.001 0.000 0.204 424 Q C 2.271 178.312 176.000 0.069 0.000 0.984 424 Q CA 1.880 57.724 55.803 0.069 0.000 0.846 424 Q CB -0.299 28.474 28.738 0.058 0.000 0.902 424 Q HN 0.650 nan 8.270 nan 0.000 0.421 425 R N -1.282 119.265 120.500 0.078 0.000 2.148 425 R HA -0.129 4.212 4.340 0.001 0.000 0.227 425 R C 2.079 178.428 176.300 0.083 0.000 1.103 425 R CA 1.092 57.232 56.100 0.067 0.000 0.983 425 R CB -0.346 29.994 30.300 0.065 0.000 0.874 425 R HN 0.353 nan 8.270 nan 0.000 0.451 426 Y N 1.526 121.828 120.300 0.004 0.000 2.163 426 Y HA -0.171 4.379 4.550 0.001 0.000 0.288 426 Y C 2.176 178.080 175.900 0.006 0.000 1.136 426 Y CA 1.559 59.662 58.100 0.005 0.000 1.147 426 Y CB -0.274 38.188 38.460 0.004 0.000 0.987 426 Y HN -0.130 nan 8.280 nan 0.000 0.509 427 M N -0.277 119.276 119.600 -0.078 0.000 2.202 427 M HA -0.210 4.270 4.480 0.001 0.000 0.262 427 M C 2.040 178.239 176.300 -0.169 0.000 1.063 427 M CA 2.335 57.541 55.300 -0.157 0.000 1.097 427 M CB -0.608 31.988 32.600 -0.008 0.000 1.382 427 M HN 0.479 nan 8.290 nan 0.000 0.413 428 T N -3.215 111.277 114.554 -0.104 0.000 3.055 428 T HA 0.223 4.574 4.350 0.001 0.000 0.265 428 T C 1.598 176.235 174.700 -0.106 0.000 1.111 428 T CA 0.907 62.960 62.100 -0.079 0.000 1.118 428 T CB -0.079 68.769 68.868 -0.033 0.000 0.909 428 T HN 0.624 nan 8.240 nan 0.000 0.501 429 G N 0.781 109.483 108.800 -0.163 0.000 2.194 429 G HA2 -0.269 3.692 3.960 0.001 0.000 0.236 429 G HA3 -0.269 3.692 3.960 0.001 0.000 0.236 429 G C -0.058 174.807 174.900 -0.058 0.000 0.987 429 G CA 0.147 45.162 45.100 -0.142 0.000 0.635 429 G HN 0.899 nan 8.290 nan 0.000 0.520 430 Q N 2.125 121.908 119.800 -0.027 0.000 2.286 430 Q HA 0.408 4.748 4.340 0.001 0.000 0.267 430 Q C -1.983 174.036 176.000 0.031 0.000 1.028 430 Q CA -1.573 54.232 55.803 0.004 0.000 0.901 430 Q CB 0.978 29.722 28.738 0.010 0.000 1.183 430 Q HN 0.320 nan 8.270 nan 0.000 0.392 431 P HA -0.005 nan 4.420 nan 0.000 0.269 431 P C -1.036 176.291 177.300 0.045 0.000 1.209 431 P CA -0.044 63.086 63.100 0.049 0.000 0.776 431 P CB 0.913 32.634 31.700 0.035 0.000 0.876 432 V N 3.813 123.757 119.914 0.050 0.000 2.638 432 V HA 0.354 4.474 4.120 0.001 0.000 0.306 432 V C 0.007 176.110 176.094 0.016 0.000 1.052 432 V CA -0.722 61.597 62.300 0.032 0.000 0.885 432 V CB 2.246 34.091 31.823 0.036 0.000 0.999 432 V HN 0.482 nan 8.190 nan 0.000 0.424 433 L N 5.470 126.694 121.223 0.001 0.000 2.319 433 L HA 0.659 5.000 4.340 0.001 0.000 0.281 433 L C -1.093 175.760 176.870 -0.028 0.000 1.005 433 L CA -0.492 54.344 54.840 -0.007 0.000 0.828 433 L CB 1.748 43.806 42.059 -0.002 0.000 1.227 433 L HN 0.496 nan 8.230 nan 0.000 0.415 434 V N 4.290 124.183 119.914 -0.035 0.000 2.370 434 V HA 0.572 4.692 4.120 0.001 0.000 0.279 434 V C 0.688 176.762 176.094 -0.033 0.000 1.029 434 V CA -0.468 61.801 62.300 -0.052 0.000 0.870 434 V CB 1.331 33.107 31.823 -0.079 0.000 0.984 434 V HN 0.873 nan 8.190 nan 0.000 0.451 435 G N 2.869 111.652 108.800 -0.028 0.000 2.416 435 G HA2 0.693 4.654 3.960 0.001 0.000 0.324 435 G HA3 0.693 4.654 3.960 0.001 0.000 0.324 435 G C -0.227 174.704 174.900 0.051 0.000 1.194 435 G CA -0.212 44.901 45.100 0.021 0.000 0.922 435 G HN 0.801 nan 8.290 nan 0.000 0.467 436 T N -1.428 113.164 114.554 0.064 0.000 2.907 436 T HA 0.532 4.882 4.350 0.001 0.000 0.290 436 T C 1.051 175.805 174.700 0.089 0.000 1.066 436 T CA 0.005 62.142 62.100 0.062 0.000 1.012 436 T CB 1.529 70.401 68.868 0.008 0.000 1.184 436 T HN 1.064 nan 8.240 nan 0.000 0.522 437 V N -2.226 117.709 119.914 0.035 0.000 3.471 437 V HA 0.724 4.845 4.120 0.001 0.000 0.258 437 V C 0.605 176.728 176.094 0.049 0.000 1.192 437 V CA 0.612 62.923 62.300 0.018 0.000 1.116 437 V CB -0.800 30.892 31.823 -0.219 0.000 0.792 437 V HN 1.239 nan 8.190 nan 0.000 0.459 438 A N 0.018 122.854 122.820 0.028 0.000 2.539 438 A HA 0.693 5.014 4.320 0.001 0.000 0.296 438 A C 0.588 178.171 177.584 -0.002 0.000 1.073 438 A CA 0.163 52.212 52.037 0.021 0.000 0.700 438 A CB 1.714 20.724 19.000 0.018 0.000 1.296 438 A HN 0.958 nan 8.150 nan 0.000 0.405 439 V N -0.430 119.482 119.914 -0.003 0.000 2.392 439 V HA -0.196 3.924 4.120 0.001 0.000 0.249 439 V C 1.674 177.743 176.094 -0.041 0.000 1.059 439 V CA 2.746 65.034 62.300 -0.019 0.000 1.051 439 V CB -1.351 30.464 31.823 -0.013 0.000 0.658 439 V HN 0.895 nan 8.190 nan 0.000 0.455 440 E N 1.279 121.457 120.200 -0.037 0.000 2.070 440 E HA -0.167 4.184 4.350 0.001 0.000 0.197 440 E C 2.312 178.847 176.600 -0.109 0.000 1.004 440 E CA 2.423 58.791 56.400 -0.054 0.000 0.805 440 E CB -0.948 28.735 29.700 -0.028 0.000 0.744 440 E HN 0.726 nan 8.360 nan 0.000 0.451 441 T N 0.151 114.633 114.554 -0.120 0.000 2.737 441 T HA -0.119 4.232 4.350 0.001 0.000 0.265 441 T C 2.078 176.619 174.700 -0.264 0.000 1.038 441 T CA 1.293 63.245 62.100 -0.248 0.000 1.144 441 T CB -0.358 68.423 68.868 -0.145 0.000 0.866 441 T HN 0.058 nan 8.240 nan 0.000 0.434 442 S N 1.337 116.948 115.700 -0.149 0.000 2.365 442 S HA -0.170 4.301 4.470 0.001 0.000 0.225 442 S C 2.156 176.676 174.600 -0.134 0.000 1.039 442 S CA 1.130 59.255 58.200 -0.124 0.000 1.033 442 S CB -0.355 62.808 63.200 -0.063 0.000 0.887 442 S HN 0.511 nan 8.310 nan 0.000 0.447 443 E N 0.978 121.109 120.200 -0.115 0.000 2.077 443 E HA -0.072 4.279 4.350 0.001 0.000 0.193 443 E C 2.131 178.647 176.600 -0.139 0.000 0.989 443 E CA 0.441 56.784 56.400 -0.096 0.000 0.800 443 E CB -0.553 29.103 29.700 -0.074 0.000 0.746 443 E HN 0.321 nan 8.360 nan 0.000 0.452 444 L N 1.217 122.313 121.223 -0.211 0.000 1.989 444 L HA -0.191 4.150 4.340 0.001 0.000 0.211 444 L C 2.269 178.956 176.870 -0.305 0.000 1.071 444 L CA 1.509 56.180 54.840 -0.281 0.000 0.749 444 L CB -0.647 41.138 42.059 -0.458 0.000 0.890 444 L HN 0.095 nan 8.230 nan 0.000 0.431 445 I N -0.849 119.503 120.570 -0.362 0.000 2.252 445 I HA -0.229 3.941 4.170 0.001 0.000 0.245 445 I C 2.867 178.814 176.117 -0.283 0.000 1.102 445 I CA 1.347 62.453 61.300 -0.324 0.000 1.385 445 I CB -1.451 36.362 38.000 -0.311 0.000 1.064 445 I HN 0.266 nan 8.210 nan 0.000 0.414 446 S N 0.615 116.174 115.700 -0.236 0.000 2.370 446 S HA -0.261 4.209 4.470 0.001 0.000 0.226 446 S C 2.147 176.690 174.600 -0.095 0.000 1.033 446 S CA 1.741 59.827 58.200 -0.190 0.000 1.011 446 S CB -0.145 63.102 63.200 0.078 0.000 0.852 446 S HN 0.376 nan 8.310 nan 0.000 0.457 447 K N 0.281 120.629 120.400 -0.086 0.000 2.057 447 K HA -0.015 4.306 4.320 0.001 0.000 0.207 447 K C 2.140 178.695 176.600 -0.075 0.000 1.049 447 K CA 1.424 57.676 56.287 -0.059 0.000 0.931 447 K CB -0.278 32.182 32.500 -0.068 0.000 0.714 447 K HN 0.399 nan 8.250 nan 0.000 0.440 448 L N 0.890 122.043 121.223 -0.117 0.000 2.083 448 L HA -0.212 4.129 4.340 0.001 0.000 0.209 448 L C 2.341 179.142 176.870 -0.114 0.000 1.083 448 L CA 1.015 55.790 54.840 -0.108 0.000 0.752 448 L CB -0.362 41.623 42.059 -0.124 0.000 0.899 448 L HN 0.244 nan 8.230 nan 0.000 0.433 449 L N -0.529 120.589 121.223 -0.175 0.000 2.056 449 L HA -0.209 4.131 4.340 0.001 0.000 0.207 449 L C 2.655 179.486 176.870 -0.065 0.000 1.078 449 L CA 1.279 56.005 54.840 -0.189 0.000 0.749 449 L CB -0.481 41.310 42.059 -0.447 0.000 0.901 449 L HN 0.210 nan 8.230 nan 0.000 0.433 450 K N 0.131 120.539 120.400 0.013 0.000 2.020 450 K HA -0.187 4.134 4.320 0.001 0.000 0.212 450 K C 1.864 178.459 176.600 -0.010 0.000 1.050 450 K CA 1.705 58.011 56.287 0.032 0.000 0.929 450 K CB -0.358 32.164 32.500 0.035 0.000 0.714 450 K HN 0.279 nan 8.250 nan 0.000 0.443 451 N N 1.128 119.815 118.700 -0.022 0.000 2.258 451 N HA -0.157 4.584 4.740 0.001 0.000 0.187 451 N C 1.187 176.684 175.510 -0.023 0.000 1.012 451 N CA 1.221 54.258 53.050 -0.023 0.000 0.870 451 N CB -0.041 38.431 38.487 -0.027 0.000 0.977 451 N HN 0.253 nan 8.380 nan 0.000 0.434 452 K N -0.606 119.774 120.400 -0.034 0.000 2.426 452 K HA 0.128 4.448 4.320 0.001 0.000 0.193 452 K C 0.725 177.310 176.600 -0.025 0.000 1.028 452 K CA 0.454 56.723 56.287 -0.029 0.000 1.047 452 K CB 0.346 32.821 32.500 -0.043 0.000 0.821 452 K HN 0.226 nan 8.250 nan 0.000 0.513 453 G N 2.029 110.811 108.800 -0.030 0.000 2.136 453 G HA2 -0.241 3.720 3.960 0.001 0.000 0.242 453 G HA3 -0.241 3.720 3.960 0.001 0.000 0.242 453 G C 0.033 174.889 174.900 -0.073 0.000 0.989 453 G CA -0.248 44.835 45.100 -0.028 0.000 0.682 453 G HN 0.230 nan 8.290 nan 0.000 0.522 454 I N 1.939 122.431 120.570 -0.131 0.000 2.304 454 I HA 0.264 4.434 4.170 0.001 0.000 0.291 454 I C -1.863 174.149 176.117 -0.174 0.000 1.018 454 I CA -2.219 58.880 61.300 -0.335 0.000 1.260 454 I CB 1.392 39.152 38.000 -0.400 0.000 1.390 454 I HN -0.107 nan 8.210 nan 0.000 0.475 455 P HA 0.202 nan 4.420 nan 0.000 0.275 455 P C -0.962 176.312 177.300 -0.042 0.000 1.228 455 P CA 0.300 63.328 63.100 -0.121 0.000 0.786 455 P CB 0.582 32.233 31.700 -0.083 0.000 0.927 456 H N -0.678 118.322 119.070 -0.116 0.000 2.950 456 H HA 0.376 4.932 4.556 0.001 0.000 0.307 456 H C -1.566 173.724 175.328 -0.063 0.000 1.403 456 H CA -0.881 55.113 56.048 -0.091 0.000 1.145 456 H CB 0.782 30.478 29.762 -0.110 0.000 1.844 456 H HN 0.341 nan 8.280 nan 0.000 0.515 457 Q N 1.114 120.934 119.800 0.033 0.000 2.345 457 Q HA 0.506 4.846 4.340 0.001 0.000 0.268 457 Q C -0.605 175.432 176.000 0.063 0.000 1.054 457 Q CA -1.200 54.593 55.803 -0.016 0.000 0.835 457 Q CB 3.535 32.261 28.738 -0.020 0.000 1.339 457 Q HN 0.467 nan 8.270 nan 0.000 0.447 458 V N 2.676 122.607 119.914 0.028 0.000 2.540 458 V HA 0.553 4.673 4.120 0.001 0.000 0.302 458 V C -1.352 174.740 176.094 -0.004 0.000 1.035 458 V CA -0.672 61.647 62.300 0.031 0.000 0.873 458 V CB 1.098 32.949 31.823 0.046 0.000 0.992 458 V HN 0.661 nan 8.190 nan 0.000 0.428 459 L N 5.545 126.766 121.223 -0.004 0.000 2.295 459 L HA 0.565 4.905 4.340 0.001 0.000 0.281 459 L C 0.657 177.519 176.870 -0.013 0.000 1.018 459 L CA -0.153 54.678 54.840 -0.015 0.000 0.841 459 L CB 0.926 42.979 42.059 -0.009 0.000 1.218 459 L HN 0.683 nan 8.230 nan 0.000 0.424 460 N N 2.979 121.665 118.700 -0.024 0.000 2.346 460 N HA 0.235 4.975 4.740 0.001 0.000 0.225 460 N C 0.850 176.346 175.510 -0.024 0.000 1.144 460 N CA 0.284 53.322 53.050 -0.020 0.000 0.837 460 N CB 0.336 38.809 38.487 -0.024 0.000 1.069 460 N HN 0.861 nan 8.380 nan 0.000 0.487 461 A N -0.147 122.657 122.820 -0.027 0.000 2.869 461 A HA -0.280 4.041 4.320 0.001 0.000 0.280 461 A C 0.874 178.387 177.584 -0.119 0.000 1.458 461 A CA 1.416 53.432 52.037 -0.034 0.000 0.776 461 A CB -1.560 17.450 19.000 0.017 0.000 1.028 461 A HN 0.361 nan 8.150 nan 0.000 0.547 462 K N 0.007 120.308 120.400 -0.164 0.000 2.323 462 K HA 0.230 4.551 4.320 0.001 0.000 0.232 462 K C 0.678 177.060 176.600 -0.363 0.000 1.068 462 K CA 0.594 56.750 56.287 -0.219 0.000 0.892 462 K CB -0.166 32.260 32.500 -0.122 0.000 1.207 462 K HN 0.385 nan 8.250 nan 0.000 0.456 463 N N 1.799 120.356 118.700 -0.238 0.000 2.402 463 N HA -0.012 4.729 4.740 0.001 0.000 0.259 463 N C 0.289 175.661 175.510 -0.230 0.000 1.167 463 N CA 0.292 53.212 53.050 -0.216 0.000 0.949 463 N CB 0.127 38.542 38.487 -0.119 0.000 1.212 463 N HN 0.253 nan 8.380 nan 0.000 0.493 464 H N 1.506 120.504 119.070 -0.119 0.000 2.387 464 H HA -0.093 4.464 4.556 0.001 0.000 0.299 464 H C 1.178 176.182 175.328 -0.539 0.000 1.090 464 H CA 0.915 56.816 56.048 -0.244 0.000 1.332 464 H CB 0.324 30.008 29.762 -0.130 0.000 1.386 464 H HN 0.634 nan 8.280 nan 0.000 0.516 465 E N 1.274 121.290 120.200 -0.307 0.000 2.077 465 E HA -0.129 4.222 4.350 0.001 0.000 0.193 465 E C 2.372 178.821 176.600 -0.251 0.000 0.989 465 E CA 0.541 56.715 56.400 -0.378 0.000 0.800 465 E CB -0.008 29.654 29.700 -0.062 0.000 0.746 465 E HN 0.306 nan 8.360 nan 0.000 0.452 466 R N 0.499 120.906 120.500 -0.155 0.000 2.075 466 R HA -0.086 4.255 4.340 0.001 0.000 0.232 466 R C 2.196 178.430 176.300 -0.110 0.000 1.126 466 R CA 1.152 57.189 56.100 -0.105 0.000 0.963 466 R CB -0.081 30.171 30.300 -0.079 0.000 0.858 466 R HN 0.223 nan 8.270 nan 0.000 0.435 467 E N -0.167 119.957 120.200 -0.128 0.000 2.086 467 E HA -0.233 4.117 4.350 0.001 0.000 0.200 467 E C 1.835 178.380 176.600 -0.093 0.000 1.012 467 E CA 1.634 57.979 56.400 -0.091 0.000 0.812 467 E CB -0.124 29.539 29.700 -0.061 0.000 0.743 467 E HN 0.392 nan 8.360 nan 0.000 0.453 468 A N 0.805 123.520 122.820 -0.176 0.000 1.969 468 A HA -0.219 4.101 4.320 0.001 0.000 0.218 468 A C 1.990 179.551 177.584 -0.038 0.000 1.169 468 A CA 1.213 53.184 52.037 -0.110 0.000 0.635 468 A CB -0.281 18.605 19.000 -0.189 0.000 0.810 468 A HN 0.209 nan 8.150 nan 0.000 0.445 469 Q N -0.520 119.249 119.800 -0.052 0.000 2.049 469 Q HA -0.104 4.236 4.340 0.001 0.000 0.198 469 Q C 2.017 178.010 176.000 -0.012 0.000 0.971 469 Q CA 1.186 56.979 55.803 -0.017 0.000 0.833 469 Q CB -0.301 28.425 28.738 -0.020 0.000 0.896 469 Q HN 0.575 nan 8.270 nan 0.000 0.434 470 I N 1.267 121.824 120.570 -0.022 0.000 2.091 470 I HA -0.294 3.876 4.170 0.001 0.000 0.239 470 I C 2.403 178.518 176.117 -0.002 0.000 1.061 470 I CA 1.398 62.690 61.300 -0.013 0.000 1.317 470 I CB -1.215 36.773 38.000 -0.020 0.000 1.031 470 I HN 0.260 nan 8.210 nan 0.000 0.401 471 I N 0.743 121.311 120.570 -0.003 0.000 2.264 471 I HA -0.290 3.881 4.170 0.001 0.000 0.248 471 I C 2.553 178.679 176.117 0.015 0.000 1.111 471 I CA 1.366 62.671 61.300 0.008 0.000 1.382 471 I CB -0.935 37.072 38.000 0.010 0.000 1.060 471 I HN 0.430 nan 8.210 nan 0.000 0.418 472 E N 0.879 121.088 120.200 0.016 0.000 2.219 472 E HA -0.237 4.113 4.350 0.001 0.000 0.198 472 E C 1.359 177.969 176.600 0.018 0.000 0.998 472 E CA 1.257 57.670 56.400 0.021 0.000 0.818 472 E CB 0.182 29.897 29.700 0.025 0.000 0.741 472 E HN 0.346 nan 8.360 nan 0.000 0.477 473 E N -0.744 119.465 120.200 0.015 0.000 2.463 473 E HA 0.103 4.453 4.350 0.001 0.000 0.193 473 E C 1.066 177.678 176.600 0.020 0.000 1.041 473 E CA 0.499 56.908 56.400 0.016 0.000 0.879 473 E CB 0.851 30.559 29.700 0.013 0.000 0.997 473 E HN 0.336 nan 8.360 nan 0.000 0.478 474 A N 0.569 123.401 122.820 0.020 0.000 2.239 474 A HA 0.086 4.406 4.320 0.001 0.000 0.209 474 A C 1.857 179.457 177.584 0.025 0.000 1.171 474 A CA 1.089 53.140 52.037 0.023 0.000 0.768 474 A CB -0.183 18.829 19.000 0.021 0.000 0.790 474 A HN 0.193 nan 8.150 nan 0.000 0.478 475 G N -1.208 107.605 108.800 0.022 0.000 3.393 475 G HA2 0.294 4.255 3.960 0.001 0.000 0.255 475 G HA3 0.294 4.255 3.960 0.001 0.000 0.255 475 G C 0.275 175.186 174.900 0.019 0.000 1.097 475 G CA -0.264 44.849 45.100 0.021 0.000 0.780 475 G HN 0.326 nan 8.290 nan 0.000 0.540 476 Q N 0.954 120.768 119.800 0.022 0.000 2.260 476 Q HA 0.248 4.589 4.340 0.001 0.000 0.242 476 Q C -0.066 175.948 176.000 0.022 0.000 0.932 476 Q CA -0.223 55.592 55.803 0.020 0.000 0.891 476 Q CB 1.449 30.199 28.738 0.020 0.000 1.222 476 Q HN 0.272 nan 8.270 nan 0.000 0.453 477 K N 0.230 120.636 120.400 0.011 0.000 2.511 477 K HA 0.125 4.445 4.320 0.001 0.000 0.280 477 K C 0.899 177.508 176.600 0.014 0.000 1.008 477 K CA 0.897 57.184 56.287 -0.000 0.000 1.050 477 K CB -0.123 32.366 32.500 -0.018 0.000 0.889 477 K HN 0.930 nan 8.250 nan 0.000 0.484 478 G N 1.206 110.016 108.800 0.018 0.000 2.179 478 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 478 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 478 G C 0.238 175.268 174.900 0.217 0.000 0.977 478 G CA 0.028 45.185 45.100 0.095 0.000 0.641 478 G HN 0.882 nan 8.290 nan 0.000 0.533 479 A N -0.171 122.724 122.820 0.124 0.000 2.450 479 A HA 0.637 4.958 4.320 0.001 0.000 0.255 479 A C 0.203 177.855 177.584 0.113 0.000 1.096 479 A CA 0.613 52.711 52.037 0.103 0.000 0.778 479 A CB 0.950 19.986 19.000 0.060 0.000 1.031 479 A HN 1.228 nan 8.150 nan 0.000 0.494 480 V N 3.336 123.306 119.914 0.093 0.000 2.524 480 V HA 0.473 4.593 4.120 0.001 0.000 0.297 480 V C -0.238 175.894 176.094 0.063 0.000 1.035 480 V CA -0.374 61.966 62.300 0.067 0.000 0.867 480 V CB 1.814 33.660 31.823 0.038 0.000 1.004 480 V HN 0.944 nan 8.190 nan 0.000 0.426 481 T N 6.009 120.585 114.554 0.036 0.000 2.812 481 T HA 0.655 5.005 4.350 0.001 0.000 0.282 481 T C -0.352 174.355 174.700 0.011 0.000 0.990 481 T CA -0.269 61.850 62.100 0.033 0.000 0.960 481 T CB 1.552 70.434 68.868 0.022 0.000 0.948 481 T HN 0.385 nan 8.240 nan 0.000 0.438 482 I N 2.764 123.345 120.570 0.018 0.000 2.312 482 I HA 0.590 4.760 4.170 0.001 0.000 0.290 482 I C 0.158 176.275 176.117 0.001 0.000 1.008 482 I CA -0.801 60.493 61.300 -0.010 0.000 1.226 482 I CB 1.126 39.108 38.000 -0.030 0.000 1.371 482 I HN 0.679 nan 8.210 nan 0.000 0.468 483 A N 4.638 127.460 122.820 0.002 0.000 2.311 483 A HA 0.620 4.941 4.320 0.001 0.000 0.306 483 A C -0.163 177.438 177.584 0.028 0.000 1.189 483 A CA -0.469 51.578 52.037 0.016 0.000 0.791 483 A CB 0.706 19.720 19.000 0.022 0.000 1.172 483 A HN 0.617 nan 8.150 nan 0.000 0.481 484 T N 3.118 117.690 114.554 0.029 0.000 2.749 484 T HA 0.270 4.620 4.350 0.001 0.000 0.295 484 T C 0.198 174.939 174.700 0.070 0.000 0.936 484 T CA -0.039 62.087 62.100 0.043 0.000 1.060 484 T CB -0.045 68.838 68.868 0.026 0.000 0.904 484 T HN 0.701 nan 8.240 nan 0.000 0.500 485 N N 3.765 122.532 118.700 0.112 0.000 2.671 485 N HA -0.168 4.573 4.740 0.001 0.000 0.261 485 N C 0.297 175.856 175.510 0.083 0.000 1.053 485 N CA 0.211 53.340 53.050 0.131 0.000 0.732 485 N CB -0.808 37.755 38.487 0.126 0.000 0.887 485 N HN 0.720 nan 8.380 nan 0.000 0.546 486 M N -3.805 115.839 119.600 0.073 0.000 2.503 486 M HA -0.250 4.231 4.480 0.001 0.000 0.199 486 M C 0.607 176.941 176.300 0.056 0.000 0.466 486 M CA 1.048 56.378 55.300 0.051 0.000 0.510 486 M CB -2.591 30.025 32.600 0.027 0.000 1.858 486 M HN 0.465 nan 8.290 nan 0.000 0.799 487 A N -0.208 122.647 122.820 0.058 0.000 2.555 487 A HA 0.435 4.756 4.320 0.001 0.000 0.233 487 A C 1.634 179.250 177.584 0.054 0.000 1.060 487 A CA 1.052 53.125 52.037 0.060 0.000 0.759 487 A CB -0.182 18.840 19.000 0.037 0.000 0.995 487 A HN 1.962 nan 8.150 nan 0.000 0.506 488 G N 0.607 109.448 108.800 0.068 0.000 2.225 488 G HA2 -0.295 3.665 3.960 0.001 0.000 0.267 488 G HA3 -0.295 3.665 3.960 0.001 0.000 0.267 488 G C 0.407 175.336 174.900 0.048 0.000 1.024 488 G CA 0.663 45.790 45.100 0.046 0.000 0.784 488 G HN 1.128 nan 8.290 nan 0.000 0.507 489 R N -0.015 120.515 120.500 0.050 0.000 2.504 489 R HA 0.371 4.711 4.340 0.001 0.000 0.291 489 R C 1.586 177.909 176.300 0.039 0.000 0.974 489 R CA 1.566 57.686 56.100 0.034 0.000 1.077 489 R CB -0.360 29.952 30.300 0.021 0.000 0.926 489 R HN 1.486 nan 8.270 nan 0.000 0.407 490 G N 2.729 111.550 108.800 0.035 0.000 2.159 490 G HA2 -0.217 3.743 3.960 0.001 0.000 0.227 490 G HA3 -0.217 3.743 3.960 0.001 0.000 0.227 490 G C -0.205 174.730 174.900 0.059 0.000 0.986 490 G CA 0.185 45.308 45.100 0.038 0.000 0.651 490 G HN 0.621 nan 8.290 nan 0.000 0.523 491 T N 1.179 115.771 114.554 0.063 0.000 2.772 491 T HA 0.484 4.834 4.350 0.001 0.000 0.288 491 T C -0.325 174.401 174.700 0.042 0.000 0.994 491 T CA -0.267 61.872 62.100 0.066 0.000 0.951 491 T CB 1.753 70.666 68.868 0.074 0.000 0.933 491 T HN 0.276 nan 8.240 nan 0.000 0.447 492 D N 2.565 122.987 120.400 0.036 0.000 2.455 492 D HA 0.094 4.735 4.640 0.001 0.000 0.241 492 D C -0.225 176.091 176.300 0.027 0.000 1.138 492 D CA 0.040 54.057 54.000 0.028 0.000 0.877 492 D CB 0.488 41.303 40.800 0.026 0.000 1.187 492 D HN 0.418 nan 8.370 nan 0.000 0.451 493 I N 3.627 124.211 120.570 0.024 0.000 2.306 493 I HA 0.182 4.353 4.170 0.001 0.000 0.288 493 I C 0.291 176.420 176.117 0.020 0.000 1.036 493 I CA -0.774 60.539 61.300 0.022 0.000 1.221 493 I CB 0.898 38.910 38.000 0.020 0.000 1.385 493 I HN 0.111 nan 8.210 nan 0.000 0.472 494 K N 4.979 125.391 120.400 0.019 0.000 2.144 494 K HA 0.473 4.794 4.320 0.001 0.000 0.270 494 K C -0.782 175.827 176.600 0.015 0.000 1.005 494 K CA -0.499 55.798 56.287 0.018 0.000 0.932 494 K CB 0.839 33.350 32.500 0.018 0.000 1.021 494 K HN 0.299 nan 8.250 nan 0.000 0.462 495 L N 2.498 123.729 121.223 0.013 0.000 2.313 495 L HA 0.300 4.640 4.340 0.001 0.000 0.282 495 L C 1.008 177.883 176.870 0.010 0.000 1.092 495 L CA 0.427 55.273 54.840 0.011 0.000 0.831 495 L CB 0.583 42.648 42.059 0.009 0.000 1.159 495 L HN 0.727 nan 8.230 nan 0.000 0.442 496 G N 1.855 110.660 108.800 0.009 0.000 2.611 496 G HA2 0.214 4.175 3.960 0.001 0.000 0.273 496 G HA3 0.214 4.175 3.960 0.001 0.000 0.273 496 G C -0.268 174.634 174.900 0.004 0.000 1.305 496 G CA -0.476 44.628 45.100 0.008 0.000 1.010 496 G HN 0.571 nan 8.290 nan 0.000 0.509 497 E N -0.770 119.432 120.200 0.003 0.000 2.465 497 E HA 0.379 4.730 4.350 0.001 0.000 0.260 497 E C 1.324 177.923 176.600 -0.002 0.000 0.980 497 E CA 1.602 58.002 56.400 0.001 0.000 0.927 497 E CB 0.321 30.021 29.700 -0.000 0.000 0.934 497 E HN 1.146 nan 8.360 nan 0.000 0.459 498 G N 2.421 111.220 108.800 -0.003 0.000 2.234 498 G HA2 -0.330 3.630 3.960 0.001 0.000 0.260 498 G HA3 -0.330 3.630 3.960 0.001 0.000 0.260 498 G C 1.069 175.966 174.900 -0.005 0.000 0.987 498 G CA 0.337 45.434 45.100 -0.005 0.000 0.625 498 G HN 0.460 nan 8.290 nan 0.000 0.532 499 V N 1.506 121.419 119.914 -0.002 0.000 2.307 499 V HA -0.151 3.970 4.120 0.001 0.000 0.245 499 V C 2.813 178.907 176.094 0.000 0.000 1.045 499 V CA 2.878 65.177 62.300 -0.001 0.000 1.024 499 V CB -0.566 31.259 31.823 0.003 0.000 0.651 499 V HN 0.596 nan 8.190 nan 0.000 0.449 500 K N 0.251 120.651 120.400 0.001 0.000 2.071 500 K HA -0.320 4.000 4.320 0.001 0.000 0.217 500 K C 2.032 178.632 176.600 -0.001 0.000 1.054 500 K CA 2.310 58.597 56.287 0.000 0.000 0.937 500 K CB -0.402 32.098 32.500 -0.001 0.000 0.719 500 K HN 0.423 nan 8.250 nan 0.000 0.454 501 E N 0.791 120.990 120.200 -0.002 0.000 2.209 501 E HA -0.115 4.236 4.350 0.001 0.000 0.196 501 E C 1.694 178.292 176.600 -0.004 0.000 0.993 501 E CA 0.841 57.239 56.400 -0.003 0.000 0.819 501 E CB -0.074 29.623 29.700 -0.005 0.000 0.745 501 E HN 0.286 nan 8.360 nan 0.000 0.477 502 L N -1.463 119.758 121.223 -0.004 0.000 2.558 502 L HA 0.198 4.539 4.340 0.001 0.000 0.225 502 L C 1.274 178.145 176.870 0.001 0.000 1.128 502 L CA 0.455 55.292 54.840 -0.004 0.000 0.868 502 L CB 0.136 42.190 42.059 -0.008 0.000 1.006 502 L HN 0.371 nan 8.230 nan 0.000 0.454 503 G N -0.929 107.873 108.800 0.003 0.000 2.184 503 G HA2 -0.049 3.911 3.960 0.001 0.000 0.206 503 G HA3 -0.049 3.911 3.960 0.001 0.000 0.206 503 G C 0.644 175.549 174.900 0.007 0.000 0.995 503 G CA -0.250 44.853 45.100 0.006 0.000 0.651 503 G HN 0.745 nan 8.290 nan 0.000 0.511 504 G N -0.904 107.900 108.800 0.007 0.000 2.693 504 G HA2 0.154 4.115 3.960 0.001 0.000 0.226 504 G HA3 0.154 4.115 3.960 0.001 0.000 0.226 504 G C -0.046 174.861 174.900 0.012 0.000 1.354 504 G CA 0.053 45.158 45.100 0.008 0.000 0.873 504 G HN 1.728 nan 8.290 nan 0.000 0.562 505 L N 1.056 122.286 121.223 0.012 0.000 2.462 505 L HA 0.614 4.954 4.340 0.001 0.000 0.272 505 L C 1.043 177.921 176.870 0.013 0.000 1.166 505 L CA 0.876 55.724 54.840 0.014 0.000 0.880 505 L CB 0.368 42.435 42.059 0.013 0.000 1.142 505 L HN 1.732 nan 8.230 nan 0.000 0.473 506 A N 5.665 128.494 122.820 0.015 0.000 2.260 506 A HA 0.578 4.898 4.320 0.001 0.000 0.308 506 A C -0.727 176.857 177.584 0.001 0.000 1.254 506 A CA -0.407 51.639 52.037 0.014 0.000 0.874 506 A CB 1.035 20.050 19.000 0.025 0.000 1.153 506 A HN 0.849 nan 8.150 nan 0.000 0.527 507 V N 4.297 124.201 119.914 -0.017 0.000 2.398 507 V HA 0.679 4.800 4.120 0.001 0.000 0.286 507 V C -0.802 175.235 176.094 -0.096 0.000 1.026 507 V CA -0.344 61.924 62.300 -0.053 0.000 0.868 507 V CB 1.380 33.167 31.823 -0.060 0.000 0.982 507 V HN 0.624 nan 8.190 nan 0.000 0.443 508 V N 6.492 126.350 119.914 -0.092 0.000 2.384 508 V HA 0.720 4.841 4.120 0.001 0.000 0.287 508 V C 0.813 176.804 176.094 -0.172 0.000 1.020 508 V CA 0.103 62.355 62.300 -0.080 0.000 0.850 508 V CB 1.461 33.283 31.823 -0.002 0.000 0.987 508 V HN 1.098 nan 8.190 nan 0.000 0.436 509 G N 1.810 110.404 108.800 -0.344 0.000 2.335 509 G HA2 0.459 4.420 3.960 0.001 0.000 0.316 509 G HA3 0.459 4.420 3.960 0.001 0.000 0.316 509 G C 0.791 175.740 174.900 0.081 0.000 1.129 509 G CA 0.281 45.206 45.100 -0.292 0.000 0.899 509 G HN 0.804 nan 8.290 nan 0.000 0.448 510 T N -1.169 113.461 114.554 0.127 0.000 3.081 510 T HA 0.208 4.559 4.350 0.001 0.000 0.255 510 T C 0.548 175.393 174.700 0.242 0.000 1.113 510 T CA 0.721 62.937 62.100 0.193 0.000 1.082 510 T CB -0.221 68.764 68.868 0.196 0.000 0.939 510 T HN 0.712 nan 8.240 nan 0.000 0.506 511 E N -0.219 120.132 120.200 0.252 0.000 2.432 511 E HA 0.410 4.761 4.350 0.001 0.000 0.279 511 E C -1.589 175.161 176.600 0.250 0.000 1.099 511 E CA -1.243 55.281 56.400 0.206 0.000 0.859 511 E CB 1.067 30.830 29.700 0.105 0.000 1.402 511 E HN 0.110 nan 8.360 nan 0.000 0.451 512 R N 0.358 120.938 120.500 0.133 0.000 2.664 512 R HA 0.486 4.826 4.340 0.001 0.000 0.286 512 R C -0.556 175.748 176.300 0.008 0.000 0.967 512 R CA -0.889 55.262 56.100 0.086 0.000 0.933 512 R CB 1.101 31.384 30.300 -0.028 0.000 1.146 512 R HN 0.473 nan 8.270 nan 0.000 0.468 513 H N 0.645 119.743 119.070 0.046 0.000 2.597 513 H HA 0.029 4.585 4.556 0.001 0.000 0.370 513 H C 0.990 176.323 175.328 0.007 0.000 1.281 513 H CA -0.073 55.998 56.048 0.038 0.000 1.422 513 H CB 0.829 30.616 29.762 0.041 0.000 1.524 513 H HN 0.617 nan 8.280 nan 0.000 0.607 514 E N 0.247 120.532 120.200 0.141 0.000 2.097 514 E HA -0.127 4.223 4.350 0.001 0.000 0.196 514 E C 0.067 176.691 176.600 0.040 0.000 1.000 514 E CA 1.130 57.569 56.400 0.066 0.000 0.804 514 E CB 0.117 29.855 29.700 0.062 0.000 0.740 514 E HN 0.305 nan 8.360 nan 0.000 0.454 515 S N 0.064 115.803 115.700 0.065 0.000 2.499 515 S HA 0.167 4.638 4.470 0.001 0.000 0.279 515 S C 0.786 175.384 174.600 -0.004 0.000 1.219 515 S CA -0.588 57.618 58.200 0.010 0.000 1.062 515 S CB 1.243 64.440 63.200 -0.005 0.000 0.978 515 S HN 0.129 nan 8.310 nan 0.000 0.489 516 R N 2.459 122.935 120.500 -0.039 0.000 2.096 516 R HA -0.077 4.264 4.340 0.001 0.000 0.235 516 R C 2.337 178.606 176.300 -0.051 0.000 1.127 516 R CA 1.238 57.299 56.100 -0.065 0.000 0.968 516 R CB -0.397 29.858 30.300 -0.075 0.000 0.861 516 R HN 0.673 nan 8.270 nan 0.000 0.440 517 R N 0.631 121.106 120.500 -0.041 0.000 2.096 517 R HA -0.142 4.199 4.340 0.001 0.000 0.240 517 R C 2.099 178.374 176.300 -0.043 0.000 1.139 517 R CA 1.660 57.740 56.100 -0.033 0.000 0.952 517 R CB -0.218 30.066 30.300 -0.027 0.000 0.854 517 R HN 0.064 nan 8.270 nan 0.000 0.436 518 I N 1.804 122.323 120.570 -0.085 0.000 2.226 518 I HA -0.257 3.914 4.170 0.001 0.000 0.245 518 I C 1.702 177.775 176.117 -0.072 0.000 1.100 518 I CA 1.470 62.665 61.300 -0.175 0.000 1.374 518 I CB -1.409 36.302 38.000 -0.481 0.000 1.057 518 I HN 0.239 nan 8.210 nan 0.000 0.413 519 D N 1.296 121.706 120.400 0.016 0.000 2.104 519 D HA -0.181 4.459 4.640 0.001 0.000 0.194 519 D C 1.837 178.246 176.300 0.182 0.000 0.994 519 D CA 1.170 55.254 54.000 0.140 0.000 0.830 519 D CB -0.471 40.249 40.800 -0.135 0.000 0.959 519 D HN 0.311 nan 8.370 nan 0.000 0.452 520 N N 0.839 119.576 118.700 0.063 0.000 2.289 520 N HA -0.127 4.613 4.740 0.001 0.000 0.184 520 N C 1.767 177.325 175.510 0.080 0.000 1.016 520 N CA 0.566 53.661 53.050 0.075 0.000 0.872 520 N CB -0.233 38.267 38.487 0.021 0.000 0.973 520 N HN 0.444 nan 8.380 nan 0.000 0.433 521 Q N -0.091 119.743 119.800 0.055 0.000 2.124 521 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 521 Q C 1.939 177.978 176.000 0.066 0.000 0.977 521 Q CA 0.779 56.606 55.803 0.039 0.000 0.850 521 Q CB -0.094 28.647 28.738 0.005 0.000 0.901 521 Q HN 0.250 nan 8.270 nan 0.000 0.429 522 L N 1.006 122.298 121.223 0.115 0.000 2.044 522 L HA -0.137 4.203 4.340 0.001 0.000 0.205 522 L C 2.413 179.346 176.870 0.106 0.000 1.075 522 L CA 1.783 56.692 54.840 0.115 0.000 0.747 522 L CB -0.452 41.706 42.059 0.164 0.000 0.903 522 L HN 0.047 nan 8.230 nan 0.000 0.435 523 R N -0.237 120.377 120.500 0.189 0.000 2.103 523 R HA -0.125 4.216 4.340 0.001 0.000 0.242 523 R C 2.027 178.378 176.300 0.086 0.000 1.142 523 R CA 1.766 57.964 56.100 0.163 0.000 0.960 523 R CB -1.318 29.138 30.300 0.260 0.000 0.858 523 R HN 0.434 nan 8.270 nan 0.000 0.439 524 G N 0.197 109.040 108.800 0.071 0.000 2.625 524 G HA2 -0.167 3.794 3.960 0.001 0.000 0.214 524 G HA3 -0.167 3.794 3.960 0.001 0.000 0.214 524 G C 1.058 175.977 174.900 0.031 0.000 1.132 524 G CA 0.175 45.301 45.100 0.042 0.000 0.782 524 G HN 0.368 nan 8.290 nan 0.000 0.538 525 R N 0.094 120.613 120.500 0.033 0.000 2.280 525 R HA 0.108 4.448 4.340 0.001 0.000 0.207 525 R C 1.174 177.486 176.300 0.020 0.000 1.043 525 R CA 0.467 56.581 56.100 0.024 0.000 1.006 525 R CB 0.036 30.351 30.300 0.024 0.000 0.885 525 R HN 0.314 nan 8.270 nan 0.000 0.467 526 S N -0.983 114.729 115.700 0.020 0.000 2.638 526 S HA 0.486 4.956 4.470 0.001 0.000 0.298 526 S C 0.610 175.220 174.600 0.016 0.000 1.111 526 S CA 0.077 58.287 58.200 0.016 0.000 1.027 526 S CB 1.739 64.947 63.200 0.014 0.000 1.064 526 S HN 0.400 nan 8.310 nan 0.000 0.525 527 G N 2.405 111.212 108.800 0.011 0.000 2.182 527 G HA2 -0.220 3.740 3.960 0.001 0.000 0.248 527 G HA3 -0.220 3.740 3.960 0.001 0.000 0.248 527 G C -0.011 174.890 174.900 0.003 0.000 1.042 527 G CA 0.450 45.554 45.100 0.007 0.000 0.775 527 G HN 0.950 nan 8.290 nan 0.000 0.501 528 R N -0.079 120.423 120.500 0.004 0.000 2.539 528 R HA 0.416 4.757 4.340 0.001 0.000 0.275 528 R C 0.710 177.006 176.300 -0.006 0.000 1.077 528 R CA 0.208 56.309 56.100 0.002 0.000 1.097 528 R CB 0.358 30.663 30.300 0.010 0.000 1.018 528 R HN 0.226 nan 8.270 nan 0.000 0.483 529 Q N 1.397 121.187 119.800 -0.017 0.000 2.435 529 Q HA -0.223 4.117 4.340 0.001 0.000 0.286 529 Q C 0.707 176.681 176.000 -0.044 0.000 1.229 529 Q CA 1.571 57.351 55.803 -0.038 0.000 0.884 529 Q CB -1.776 26.950 28.738 -0.020 0.000 1.245 529 Q HN 1.205 nan 8.270 nan 0.000 0.488 530 G N -0.813 107.964 108.800 -0.038 0.000 2.179 530 G HA2 -0.280 3.681 3.960 0.001 0.000 0.260 530 G HA3 -0.280 3.681 3.960 0.001 0.000 0.260 530 G C -0.027 174.861 174.900 -0.021 0.000 0.977 530 G CA 0.175 45.254 45.100 -0.035 0.000 0.641 530 G HN 0.431 nan 8.290 nan 0.000 0.533 531 D N 2.067 122.458 120.400 -0.014 0.000 2.419 531 D HA 0.363 5.004 4.640 0.001 0.000 0.236 531 D C -1.348 174.949 176.300 -0.004 0.000 1.165 531 D CA -0.416 53.580 54.000 -0.007 0.000 0.882 531 D CB 0.775 41.574 40.800 -0.001 0.000 1.201 531 D HN 0.276 nan 8.370 nan 0.000 0.443 532 P HA 0.399 nan 4.420 nan 0.000 0.274 532 P C -0.205 177.098 177.300 0.005 0.000 1.246 532 P CA -0.426 62.675 63.100 0.001 0.000 0.795 532 P CB 1.098 32.799 31.700 0.001 0.000 1.006 533 G N -0.201 108.603 108.800 0.008 0.000 2.338 533 G HA2 0.464 4.424 3.960 0.001 0.000 0.295 533 G HA3 0.464 4.424 3.960 0.001 0.000 0.295 533 G C -2.249 172.659 174.900 0.014 0.000 1.461 533 G CA -0.529 44.578 45.100 0.011 0.000 0.817 533 G HN 0.645 nan 8.290 nan 0.000 0.556 534 I N -0.402 120.178 120.570 0.016 0.000 2.769 534 I HA 0.815 4.985 4.170 0.001 0.000 0.298 534 I C -0.973 175.154 176.117 0.017 0.000 1.128 534 I CA -0.619 60.693 61.300 0.019 0.000 1.031 534 I CB 2.526 40.538 38.000 0.021 0.000 1.235 534 I HN 0.570 nan 8.210 nan 0.000 0.423 535 T N 4.829 119.398 114.554 0.025 0.000 2.921 535 T HA 0.491 4.842 4.350 0.001 0.000 0.297 535 T C -1.451 173.265 174.700 0.027 0.000 1.013 535 T CA -0.381 61.729 62.100 0.017 0.000 0.990 535 T CB 1.458 70.365 68.868 0.066 0.000 1.023 535 T HN 0.554 nan 8.240 nan 0.000 0.447 536 Q N 2.672 122.451 119.800 -0.036 0.000 2.263 536 Q HA 0.586 4.926 4.340 0.001 0.000 0.262 536 Q C -2.097 173.861 176.000 -0.069 0.000 0.984 536 Q CA -0.447 55.351 55.803 -0.008 0.000 0.813 536 Q CB 0.798 29.539 28.738 0.005 0.000 1.299 536 Q HN 0.546 nan 8.270 nan 0.000 0.428 537 F N 2.854 122.811 119.950 0.012 0.000 2.422 537 F HA 0.534 5.061 4.527 0.001 0.000 0.333 537 F C -0.528 175.273 175.800 0.002 0.000 1.095 537 F CA -0.339 57.711 58.000 0.084 0.000 1.038 537 F CB 1.187 40.228 39.000 0.068 0.000 1.156 537 F HN 0.477 nan 8.300 nan 0.000 0.483 538 Y N 3.103 123.545 120.300 0.237 0.000 2.377 538 Y HA 0.685 5.235 4.550 0.001 0.000 0.339 538 Y C -0.580 175.422 175.900 0.171 0.000 1.011 538 Y CA -0.834 57.384 58.100 0.197 0.000 1.093 538 Y CB 1.454 39.988 38.460 0.123 0.000 1.201 538 Y HN 0.321 nan 8.280 nan 0.000 0.455 539 L N 1.889 123.280 121.223 0.280 0.000 2.341 539 L HA 0.781 5.121 4.340 0.001 0.000 0.254 539 L C -0.565 176.403 176.870 0.163 0.000 1.040 539 L CA -0.679 54.264 54.840 0.172 0.000 0.837 539 L CB 2.460 44.588 42.059 0.115 0.000 1.425 539 L HN 0.632 nan 8.230 nan 0.000 0.414 540 S N -0.768 114.980 115.700 0.081 0.000 2.588 540 S HA 0.521 4.992 4.470 0.001 0.000 0.275 540 S C 0.417 175.042 174.600 0.043 0.000 1.130 540 S CA -0.812 57.432 58.200 0.073 0.000 0.855 540 S CB 1.332 64.541 63.200 0.015 0.000 1.116 540 S HN 0.626 nan 8.310 nan 0.000 0.472 541 M N 1.094 120.721 119.600 0.045 0.000 2.267 541 M HA -0.088 4.393 4.480 0.001 0.000 0.263 541 M C 1.419 177.734 176.300 0.025 0.000 1.063 541 M CA 1.643 56.963 55.300 0.034 0.000 1.090 541 M CB -0.573 32.048 32.600 0.034 0.000 1.392 541 M HN 0.779 nan 8.290 nan 0.000 0.422 542 E N 0.038 120.246 120.200 0.013 0.000 2.489 542 E HA -0.000 4.350 4.350 0.001 0.000 0.193 542 E C -0.374 176.230 176.600 0.007 0.000 1.057 542 E CA -0.206 56.198 56.400 0.007 0.000 0.866 542 E CB 0.149 29.846 29.700 -0.005 0.000 0.916 542 E HN 0.421 nan 8.360 nan 0.000 0.500 543 D N 1.140 121.544 120.400 0.008 0.000 2.399 543 D HA -0.061 4.579 4.640 0.001 0.000 0.241 543 D C 1.040 177.358 176.300 0.031 0.000 1.133 543 D CA 0.178 54.188 54.000 0.016 0.000 0.890 543 D CB 0.959 41.772 40.800 0.021 0.000 1.201 543 D HN -0.011 nan 8.370 nan 0.000 0.432 544 E N 1.634 121.855 120.200 0.034 0.000 2.065 544 E HA -0.220 4.131 4.350 0.001 0.000 0.201 544 E C 1.806 178.434 176.600 0.046 0.000 1.016 544 E CA 1.254 57.679 56.400 0.041 0.000 0.818 544 E CB -0.229 29.494 29.700 0.038 0.000 0.749 544 E HN 0.557 nan 8.360 nan 0.000 0.453 545 L N -0.337 120.911 121.223 0.041 0.000 2.083 545 L HA -0.149 4.192 4.340 0.001 0.000 0.209 545 L C 2.023 178.930 176.870 0.061 0.000 1.083 545 L CA 1.065 55.934 54.840 0.048 0.000 0.752 545 L CB -0.137 41.942 42.059 0.034 0.000 0.899 545 L HN 0.356 nan 8.230 nan 0.000 0.433 546 M N -0.769 118.862 119.600 0.052 0.000 2.549 546 M HA -0.122 4.359 4.480 0.001 0.000 0.260 546 M C 1.771 178.104 176.300 0.055 0.000 1.076 546 M CA 1.412 56.744 55.300 0.054 0.000 1.090 546 M CB -0.845 31.781 32.600 0.043 0.000 1.418 546 M HN 0.293 nan 8.290 nan 0.000 0.486 547 R N -1.352 119.182 120.500 0.055 0.000 2.344 547 R HA 0.160 4.501 4.340 0.001 0.000 0.209 547 R C 2.132 178.467 176.300 0.058 0.000 0.886 547 R CA -0.268 55.860 56.100 0.047 0.000 1.040 547 R CB 0.136 30.459 30.300 0.039 0.000 1.114 547 R HN 0.055 nan 8.270 nan 0.000 0.547 548 R N 0.933 121.483 120.500 0.083 0.000 2.096 548 R HA 0.005 4.345 4.340 0.001 0.000 0.235 548 R C -0.002 176.404 176.300 0.177 0.000 1.127 548 R CA 1.401 57.567 56.100 0.111 0.000 0.968 548 R CB -0.067 30.300 30.300 0.112 0.000 0.861 548 R HN 0.101 nan 8.270 nan 0.000 0.440 549 F N -1.821 118.135 119.950 0.010 0.000 2.639 549 F HA 0.463 4.991 4.527 0.001 0.000 0.339 549 F C 1.212 177.015 175.800 0.005 0.000 1.071 549 F CA -0.533 57.472 58.000 0.007 0.000 0.994 549 F CB 1.251 40.256 39.000 0.008 0.000 1.341 549 F HN 0.026 nan 8.300 nan 0.000 0.498 550 G N 1.127 109.487 108.800 -0.733 0.000 2.818 550 G HA2 -0.007 3.954 3.960 0.001 0.000 0.203 550 G HA3 -0.007 3.954 3.960 0.001 0.000 0.203 550 G C 0.809 175.688 174.900 -0.036 0.000 1.172 550 G CA 0.722 45.594 45.100 -0.380 0.000 0.828 550 G HN 0.808 nan 8.290 nan 0.000 0.526 551 A N -0.207 122.677 122.820 0.107 0.000 2.178 551 A HA 0.156 4.476 4.320 0.001 0.000 0.211 551 A C 2.072 179.686 177.584 0.051 0.000 1.157 551 A CA 1.180 53.284 52.037 0.112 0.000 0.780 551 A CB -0.067 19.020 19.000 0.145 0.000 0.828 551 A HN 0.384 nan 8.150 nan 0.000 0.476 552 E N 0.865 121.081 120.200 0.027 0.000 2.204 552 E HA -0.159 4.191 4.350 0.001 0.000 0.194 552 E C 1.892 178.493 176.600 0.002 0.000 0.989 552 E CA 0.646 57.054 56.400 0.014 0.000 0.824 552 E CB -0.266 29.435 29.700 0.002 0.000 0.756 552 E HN 0.568 nan 8.360 nan 0.000 0.477 553 R N -0.184 120.309 120.500 -0.011 0.000 2.092 553 R HA -0.058 4.283 4.340 0.001 0.000 0.231 553 R C 2.316 178.614 176.300 -0.002 0.000 1.119 553 R CA 1.775 57.866 56.100 -0.015 0.000 0.970 553 R CB -0.300 29.981 30.300 -0.032 0.000 0.864 553 R HN 0.221 nan 8.270 nan 0.000 0.440 554 T N 1.021 115.578 114.554 0.005 0.000 2.777 554 T HA -0.070 4.280 4.350 0.001 0.000 0.266 554 T C 1.910 176.616 174.700 0.009 0.000 1.040 554 T CA 0.931 63.034 62.100 0.004 0.000 1.141 554 T CB -0.010 68.864 68.868 0.009 0.000 0.868 554 T HN 0.085 nan 8.240 nan 0.000 0.444 555 M N 1.354 120.964 119.600 0.016 0.000 2.175 555 M HA 0.082 4.563 4.480 0.001 0.000 0.264 555 M C 2.861 179.176 176.300 0.026 0.000 1.063 555 M CA 1.265 56.579 55.300 0.023 0.000 1.119 555 M CB -1.341 31.275 32.600 0.026 0.000 1.377 555 M HN 0.353 nan 8.290 nan 0.000 0.415 556 A N 0.384 123.215 122.820 0.019 0.000 1.902 556 A HA -0.173 4.148 4.320 0.001 0.000 0.217 556 A C 2.273 179.875 177.584 0.029 0.000 1.181 556 A CA 1.628 53.677 52.037 0.020 0.000 0.623 556 A CB -0.641 18.365 19.000 0.010 0.000 0.818 556 A HN 0.478 nan 8.150 nan 0.000 0.443 557 M N -0.093 119.523 119.600 0.026 0.000 2.132 557 M HA -0.052 4.428 4.480 0.001 0.000 0.263 557 M C 1.945 178.287 176.300 0.071 0.000 1.065 557 M CA 1.665 56.986 55.300 0.036 0.000 1.122 557 M CB -0.826 31.780 32.600 0.011 0.000 1.365 557 M HN 0.420 nan 8.290 nan 0.000 0.411 558 L N 0.347 121.606 121.223 0.060 0.000 2.079 558 L HA -0.241 4.099 4.340 0.001 0.000 0.210 558 L C 2.316 179.266 176.870 0.133 0.000 1.081 558 L CA 1.600 56.504 54.840 0.107 0.000 0.752 558 L CB -1.080 41.019 42.059 0.066 0.000 0.896 558 L HN 0.327 nan 8.230 nan 0.000 0.433 559 D N 0.415 120.862 120.400 0.079 0.000 2.117 559 D HA -0.207 4.433 4.640 0.001 0.000 0.197 559 D C 2.273 178.609 176.300 0.060 0.000 0.987 559 D CA 1.416 55.451 54.000 0.059 0.000 0.829 559 D CB 0.128 40.951 40.800 0.038 0.000 0.961 559 D HN 0.047 nan 8.370 nan 0.000 0.460 560 R N -1.076 119.468 120.500 0.074 0.000 2.081 560 R HA -0.072 4.269 4.340 0.001 0.000 0.235 560 R C 2.235 178.591 176.300 0.092 0.000 1.131 560 R CA 1.113 57.254 56.100 0.068 0.000 0.960 560 R CB -0.713 29.628 30.300 0.068 0.000 0.856 560 R HN 0.212 nan 8.270 nan 0.000 0.436 561 F N -0.142 119.804 119.950 -0.008 0.000 2.202 561 F HA -0.073 4.455 4.527 0.001 0.000 0.301 561 F C 1.284 177.078 175.800 -0.009 0.000 1.082 561 F CA 1.927 59.921 58.000 -0.009 0.000 1.313 561 F CB -0.008 38.984 39.000 -0.012 0.000 1.024 561 F HN 0.212 nan 8.300 nan 0.000 0.495 562 G N 0.442 109.164 108.800 -0.130 0.000 2.148 562 G HA2 -0.213 3.748 3.960 0.001 0.000 0.157 562 G HA3 -0.213 3.748 3.960 0.001 0.000 0.157 562 G C 0.384 175.193 174.900 -0.151 0.000 1.012 562 G CA -0.043 44.934 45.100 -0.204 0.000 0.677 562 G HN 0.677 nan 8.290 nan 0.000 0.506 563 M N -0.128 119.464 119.600 -0.013 0.000 2.250 563 M HA 0.692 5.172 4.480 0.001 0.000 0.325 563 M C -0.300 176.003 176.300 0.005 0.000 1.084 563 M CA 0.395 55.716 55.300 0.036 0.000 1.161 563 M CB 0.651 33.321 32.600 0.116 0.000 1.481 563 M HN 0.001 nan 8.290 nan 0.000 0.449 564 D N 0.084 120.484 120.400 0.001 0.000 2.523 564 D HA 0.309 4.950 4.640 0.001 0.000 0.236 564 D C -0.288 176.034 176.300 0.037 0.000 1.094 564 D CA -0.470 53.538 54.000 0.013 0.000 0.942 564 D CB 1.799 42.600 40.800 0.002 0.000 1.447 564 D HN 0.730 nan 8.370 nan 0.000 0.479 565 D N -0.577 119.877 120.400 0.089 0.000 2.264 565 D HA -0.096 4.544 4.640 0.001 0.000 0.208 565 D C 1.330 177.748 176.300 0.195 0.000 0.966 565 D CA 0.857 54.980 54.000 0.205 0.000 0.864 565 D CB 0.137 41.049 40.800 0.187 0.000 0.933 565 D HN 0.304 nan 8.370 nan 0.000 0.499 566 S N -0.998 114.760 115.700 0.098 0.000 2.575 566 S HA 0.029 4.499 4.470 0.001 0.000 0.215 566 S C 0.896 175.517 174.600 0.035 0.000 0.966 566 S CA -0.093 58.155 58.200 0.080 0.000 0.911 566 S CB 0.001 63.233 63.200 0.053 0.000 0.780 566 S HN 0.112 nan 8.310 nan 0.000 0.514 567 T N 0.111 114.663 114.554 -0.003 0.000 3.734 567 T HA 0.399 4.750 4.350 0.001 0.000 0.238 567 T C -3.123 171.510 174.700 -0.113 0.000 1.205 567 T CA -1.635 60.444 62.100 -0.036 0.000 1.606 567 T CB 0.721 69.583 68.868 -0.010 0.000 0.832 567 T HN 0.038 nan 8.240 nan 0.000 0.655 568 P HA 0.209 nan 4.420 nan 0.000 0.267 568 P C -0.168 176.979 177.300 -0.255 0.000 1.200 568 P CA -0.463 62.342 63.100 -0.492 0.000 0.772 568 P CB 0.786 31.873 31.700 -1.022 0.000 0.855 569 I N 2.463 122.910 120.570 -0.204 0.000 2.365 569 I HA 0.247 4.418 4.170 0.001 0.000 0.291 569 I C 0.794 176.838 176.117 -0.122 0.000 1.004 569 I CA 0.021 61.253 61.300 -0.113 0.000 1.311 569 I CB 0.472 38.431 38.000 -0.069 0.000 1.401 569 I HN 0.472 nan 8.210 nan 0.000 0.491 570 Q N 4.984 124.730 119.800 -0.091 0.000 2.695 570 Q HA 0.397 4.738 4.340 0.001 0.000 0.246 570 Q C -1.105 174.860 176.000 -0.057 0.000 0.961 570 Q CA -0.270 55.486 55.803 -0.078 0.000 0.708 570 Q CB 1.259 29.949 28.738 -0.080 0.000 1.282 570 Q HN 0.793 nan 8.270 nan 0.000 0.482 571 S N 1.792 117.460 115.700 -0.054 0.000 2.548 571 S HA 0.429 4.900 4.470 0.001 0.000 0.286 571 S C 0.431 175.007 174.600 -0.040 0.000 1.098 571 S CA -0.753 57.418 58.200 -0.048 0.000 0.930 571 S CB 1.881 65.045 63.200 -0.059 0.000 1.070 571 S HN 0.626 nan 8.310 nan 0.000 0.480 572 K N 1.246 121.625 120.400 -0.035 0.000 2.063 572 K HA -0.132 4.188 4.320 0.001 0.000 0.208 572 K C 1.977 178.558 176.600 -0.030 0.000 1.048 572 K CA 1.743 58.012 56.287 -0.029 0.000 0.928 572 K CB -0.295 32.190 32.500 -0.025 0.000 0.713 572 K HN 0.690 nan 8.250 nan 0.000 0.442 573 M N 0.816 120.395 119.600 -0.036 0.000 2.086 573 M HA -0.167 4.313 4.480 0.001 0.000 0.261 573 M C 2.030 178.311 176.300 -0.032 0.000 1.067 573 M CA 1.655 56.934 55.300 -0.035 0.000 1.116 573 M CB -0.007 32.566 32.600 -0.044 0.000 1.348 573 M HN -0.028 nan 8.290 nan 0.000 0.407 574 V N -0.606 119.285 119.914 -0.038 0.000 2.358 574 V HA -0.216 3.905 4.120 0.001 0.000 0.246 574 V C 2.443 178.521 176.094 -0.025 0.000 1.047 574 V CA 1.902 64.183 62.300 -0.032 0.000 1.035 574 V CB -0.618 31.182 31.823 -0.038 0.000 0.658 574 V HN 0.524 nan 8.190 nan 0.000 0.452 575 S N -0.929 114.753 115.700 -0.030 0.000 2.382 575 S HA -0.163 4.307 4.470 0.001 0.000 0.228 575 S C 2.185 176.766 174.600 -0.032 0.000 1.027 575 S CA 1.294 59.475 58.200 -0.030 0.000 0.991 575 S CB -0.219 62.963 63.200 -0.029 0.000 0.823 575 S HN 0.460 nan 8.310 nan 0.000 0.469 576 R N 0.403 120.886 120.500 -0.028 0.000 2.090 576 R HA 0.049 4.390 4.340 0.001 0.000 0.228 576 R C 2.516 178.805 176.300 -0.018 0.000 1.110 576 R CA 1.006 57.091 56.100 -0.025 0.000 0.973 576 R CB -0.518 29.769 30.300 -0.021 0.000 0.869 576 R HN 0.425 nan 8.270 nan 0.000 0.440 577 A N 0.706 123.519 122.820 -0.011 0.000 1.917 577 A HA -0.154 4.167 4.320 0.001 0.000 0.219 577 A C 2.309 179.898 177.584 0.009 0.000 1.182 577 A CA 1.675 53.715 52.037 0.006 0.000 0.633 577 A CB -0.537 18.468 19.000 0.008 0.000 0.819 577 A HN 0.124 nan 8.150 nan 0.000 0.448 578 V N -0.243 119.666 119.914 -0.007 0.000 2.307 578 V HA -0.253 3.868 4.120 0.001 0.000 0.245 578 V C 2.504 178.572 176.094 -0.043 0.000 1.045 578 V CA 2.232 64.522 62.300 -0.016 0.000 1.024 578 V CB -0.836 30.970 31.823 -0.027 0.000 0.651 578 V HN 0.796 nan 8.190 nan 0.000 0.449 579 E N 0.582 120.750 120.200 -0.054 0.000 2.058 579 E HA -0.234 4.116 4.350 0.001 0.000 0.194 579 E C 2.267 178.829 176.600 -0.063 0.000 0.997 579 E CA 1.896 58.256 56.400 -0.067 0.000 0.801 579 E CB -0.162 29.500 29.700 -0.063 0.000 0.746 579 E HN 0.585 nan 8.360 nan 0.000 0.450 580 S N -0.045 115.629 115.700 -0.044 0.000 2.382 580 S HA -0.166 4.305 4.470 0.001 0.000 0.228 580 S C 2.018 176.573 174.600 -0.076 0.000 1.027 580 S CA 1.101 59.277 58.200 -0.041 0.000 0.991 580 S CB -0.297 62.899 63.200 -0.006 0.000 0.823 580 S HN 0.332 nan 8.310 nan 0.000 0.469 581 S N 0.975 116.637 115.700 -0.062 0.000 2.423 581 S HA -0.086 4.385 4.470 0.001 0.000 0.231 581 S C 1.864 176.289 174.600 -0.292 0.000 1.014 581 S CA 0.892 59.003 58.200 -0.149 0.000 0.965 581 S CB -0.226 63.006 63.200 0.054 0.000 0.785 581 S HN 0.520 nan 8.310 nan 0.000 0.495 582 Q N 0.086 119.786 119.800 -0.166 0.000 2.137 582 Q HA 0.076 4.417 4.340 0.001 0.000 0.198 582 Q C 2.216 178.122 176.000 -0.157 0.000 0.960 582 Q CA 0.932 56.645 55.803 -0.150 0.000 0.847 582 Q CB -0.034 28.646 28.738 -0.096 0.000 0.915 582 Q HN 0.475 nan 8.270 nan 0.000 0.448 583 K N 0.317 120.634 120.400 -0.140 0.000 2.148 583 K HA -0.082 4.239 4.320 0.001 0.000 0.204 583 K C 2.049 178.566 176.600 -0.138 0.000 1.050 583 K CA 0.832 57.051 56.287 -0.113 0.000 0.942 583 K CB 0.145 32.597 32.500 -0.079 0.000 0.724 583 K HN 0.103 nan 8.250 nan 0.000 0.446 584 R N 0.115 120.474 120.500 -0.236 0.000 2.073 584 R HA -0.061 4.280 4.340 0.001 0.000 0.229 584 R C 2.258 178.382 176.300 -0.294 0.000 1.120 584 R CA 1.071 57.006 56.100 -0.275 0.000 0.967 584 R CB -0.440 29.604 30.300 -0.426 0.000 0.862 584 R HN 0.014 nan 8.270 nan 0.000 0.436 585 V N 1.578 121.245 119.914 -0.412 0.000 2.407 585 V HA -0.242 3.879 4.120 0.001 0.000 0.248 585 V C 2.376 178.413 176.094 -0.094 0.000 1.055 585 V CA 1.913 64.070 62.300 -0.238 0.000 1.049 585 V CB -0.516 31.180 31.823 -0.211 0.000 0.662 585 V HN 0.410 nan 8.190 nan 0.000 0.455 586 E N 0.408 120.556 120.200 -0.088 0.000 2.110 586 E HA -0.178 4.172 4.350 0.001 0.000 0.193 586 E C 2.275 178.892 176.600 0.028 0.000 0.988 586 E CA 1.341 57.723 56.400 -0.030 0.000 0.804 586 E CB -0.415 29.254 29.700 -0.051 0.000 0.745 586 E HN 0.578 nan 8.360 nan 0.000 0.458 587 G N 0.943 109.750 108.800 0.013 0.000 2.421 587 G HA2 -0.288 3.672 3.960 0.001 0.000 0.216 587 G HA3 -0.288 3.672 3.960 0.001 0.000 0.216 587 G C 1.465 176.424 174.900 0.099 0.000 1.171 587 G CA 0.877 46.027 45.100 0.084 0.000 0.775 587 G HN 0.219 nan 8.290 nan 0.000 0.543 588 N N 1.400 120.125 118.700 0.043 0.000 2.120 588 N HA -0.088 4.652 4.740 0.001 0.000 0.188 588 N C 2.004 177.543 175.510 0.048 0.000 1.024 588 N CA 1.047 54.123 53.050 0.043 0.000 0.852 588 N CB -0.451 38.061 38.487 0.042 0.000 1.003 588 N HN 0.198 nan 8.380 nan 0.000 0.424 589 N N 0.626 119.363 118.700 0.060 0.000 2.166 589 N HA -0.113 4.628 4.740 0.001 0.000 0.186 589 N C 1.548 177.128 175.510 0.117 0.000 1.019 589 N CA 0.414 53.505 53.050 0.070 0.000 0.856 589 N CB -0.589 37.934 38.487 0.061 0.000 0.993 589 N HN 0.188 nan 8.380 nan 0.000 0.426 590 F N 2.468 122.404 119.950 -0.023 0.000 2.102 590 F HA -0.135 4.393 4.527 0.001 0.000 0.298 590 F C 1.635 177.426 175.800 -0.016 0.000 1.105 590 F CA 1.300 59.285 58.000 -0.026 0.000 1.239 590 F CB -0.430 38.551 39.000 -0.031 0.000 0.991 590 F HN -0.078 nan 8.300 nan 0.000 0.474 591 D N -0.265 120.027 120.400 -0.180 0.000 2.117 591 D HA -0.146 4.494 4.640 0.001 0.000 0.197 591 D C 2.474 178.673 176.300 -0.168 0.000 0.987 591 D CA 1.636 55.480 54.000 -0.260 0.000 0.829 591 D CB -0.466 40.267 40.800 -0.112 0.000 0.961 591 D HN 0.273 nan 8.370 nan 0.000 0.460 592 S N 0.201 115.855 115.700 -0.075 0.000 2.368 592 S HA -0.113 4.358 4.470 0.001 0.000 0.224 592 S C 1.902 176.473 174.600 -0.047 0.000 1.029 592 S CA 0.583 58.757 58.200 -0.043 0.000 0.988 592 S CB 0.052 63.246 63.200 -0.010 0.000 0.838 592 S HN 0.219 nan 8.310 nan 0.000 0.462 593 R N 1.205 121.680 120.500 -0.041 0.000 2.081 593 R HA -0.051 4.289 4.340 0.001 0.000 0.235 593 R C 2.315 178.577 176.300 -0.064 0.000 1.131 593 R CA 1.330 57.420 56.100 -0.016 0.000 0.960 593 R CB -0.162 30.173 30.300 0.058 0.000 0.856 593 R HN 0.300 nan 8.270 nan 0.000 0.436 594 K N 0.091 120.377 120.400 -0.191 0.000 2.044 594 K HA -0.270 4.050 4.320 0.001 0.000 0.210 594 K C 2.194 178.739 176.600 -0.092 0.000 1.049 594 K CA 2.053 58.214 56.287 -0.211 0.000 0.927 594 K CB -0.116 32.146 32.500 -0.397 0.000 0.713 594 K HN 0.095 nan 8.250 nan 0.000 0.443 595 Q N 0.398 120.159 119.800 -0.065 0.000 2.084 595 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 595 Q C 1.834 177.916 176.000 0.138 0.000 0.978 595 Q CA 1.265 57.090 55.803 0.037 0.000 0.844 595 Q CB 0.006 28.764 28.738 0.033 0.000 0.898 595 Q HN 0.109 nan 8.270 nan 0.000 0.426 596 L N -0.163 121.096 121.223 0.060 0.000 2.083 596 L HA -0.133 4.208 4.340 0.001 0.000 0.209 596 L C 2.016 178.952 176.870 0.110 0.000 1.083 596 L CA 1.263 56.143 54.840 0.066 0.000 0.752 596 L CB -1.108 40.953 42.059 0.004 0.000 0.899 596 L HN 0.334 nan 8.230 nan 0.000 0.433 597 L N -0.826 120.432 121.223 0.058 0.000 2.131 597 L HA -0.188 4.153 4.340 0.001 0.000 0.210 597 L C 2.588 179.487 176.870 0.049 0.000 1.092 597 L CA 1.445 56.309 54.840 0.041 0.000 0.759 597 L CB -0.921 41.133 42.059 -0.007 0.000 0.903 597 L HN 0.412 nan 8.230 nan 0.000 0.435 598 Q N -2.105 117.721 119.800 0.043 0.000 2.119 598 Q HA -0.215 4.125 4.340 0.001 0.000 0.201 598 Q C 2.226 178.212 176.000 -0.022 0.000 0.972 598 Q CA 1.603 57.397 55.803 -0.016 0.000 0.847 598 Q CB -0.242 28.450 28.738 -0.077 0.000 0.903 598 Q HN 0.444 nan 8.270 nan 0.000 0.433 599 Y N 1.527 121.824 120.300 -0.004 0.000 2.114 599 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 599 Y C 2.068 178.025 175.900 0.095 0.000 1.143 599 Y CA 1.356 59.456 58.100 -0.000 0.000 1.135 599 Y CB -0.254 38.079 38.460 -0.212 0.000 0.980 599 Y HN 0.123 nan 8.280 nan 0.000 0.499 600 D N -0.199 120.318 120.400 0.196 0.000 2.228 600 D HA -0.200 4.440 4.640 0.001 0.000 0.203 600 D C 1.535 177.909 176.300 0.123 0.000 0.988 600 D CA 1.605 55.690 54.000 0.142 0.000 0.864 600 D CB -0.483 40.374 40.800 0.097 0.000 0.928 600 D HN 0.415 nan 8.370 nan 0.000 0.469 601 D N -0.663 119.794 120.400 0.094 0.000 2.264 601 D HA -0.083 4.557 4.640 0.001 0.000 0.208 601 D C 1.978 178.310 176.300 0.052 0.000 0.966 601 D CA 0.276 54.309 54.000 0.054 0.000 0.864 601 D CB 0.370 41.181 40.800 0.019 0.000 0.933 601 D HN -0.040 nan 8.370 nan 0.000 0.499 602 V N 0.299 120.270 119.914 0.095 0.000 2.270 602 V HA -0.181 3.940 4.120 0.001 0.000 0.245 602 V C 2.311 178.433 176.094 0.048 0.000 1.043 602 V CA 1.115 63.443 62.300 0.048 0.000 1.014 602 V CB -0.457 31.381 31.823 0.025 0.000 0.645 602 V HN 0.258 nan 8.190 nan 0.000 0.447 603 L N 0.051 121.347 121.223 0.121 0.000 2.141 603 L HA -0.070 4.270 4.340 0.001 0.000 0.209 603 L C 2.553 179.512 176.870 0.148 0.000 1.094 603 L CA 1.728 56.664 54.840 0.160 0.000 0.763 603 L CB -0.770 41.386 42.059 0.161 0.000 0.908 603 L HN 0.152 nan 8.230 nan 0.000 0.437 604 R N -0.257 120.298 120.500 0.092 0.000 2.080 604 R HA -0.195 4.145 4.340 0.001 0.000 0.236 604 R C 2.106 178.404 176.300 -0.004 0.000 1.137 604 R CA 2.240 58.372 56.100 0.053 0.000 0.943 604 R CB -0.404 29.922 30.300 0.043 0.000 0.846 604 R HN 0.584 nan 8.270 nan 0.000 0.431 605 Q N -0.186 119.594 119.800 -0.033 0.000 2.123 605 Q HA -0.146 4.194 4.340 0.001 0.000 0.199 605 Q C 2.276 178.167 176.000 -0.182 0.000 0.966 605 Q CA 1.300 57.048 55.803 -0.092 0.000 0.845 605 Q CB -0.021 28.662 28.738 -0.092 0.000 0.907 605 Q HN 0.510 nan 8.270 nan 0.000 0.439 606 Q N 0.476 120.151 119.800 -0.208 0.000 2.050 606 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 606 Q C 2.133 178.019 176.000 -0.190 0.000 0.980 606 Q CA 1.048 56.630 55.803 -0.367 0.000 0.840 606 Q CB -0.183 28.461 28.738 -0.156 0.000 0.898 606 Q HN 0.228 nan 8.270 nan 0.000 0.424 607 R N 1.060 121.497 120.500 -0.105 0.000 2.105 607 R HA -0.196 4.144 4.340 0.001 0.000 0.239 607 R C 1.676 177.671 176.300 -0.509 0.000 1.135 607 R CA 1.582 57.371 56.100 -0.518 0.000 0.967 607 R CB 0.059 30.190 30.300 -0.282 0.000 0.861 607 R HN 0.337 nan 8.270 nan 0.000 0.442 608 E N -0.558 119.502 120.200 -0.234 0.000 2.107 608 E HA -0.122 4.229 4.350 0.001 0.000 0.191 608 E C 1.962 178.511 176.600 -0.084 0.000 0.982 608 E CA 1.202 57.532 56.400 -0.118 0.000 0.809 608 E CB 0.177 29.840 29.700 -0.062 0.000 0.756 608 E HN 0.146 nan 8.360 nan 0.000 0.459 609 V N 1.291 121.139 119.914 -0.110 0.000 2.307 609 V HA -0.211 3.910 4.120 0.001 0.000 0.245 609 V C 2.178 178.280 176.094 0.013 0.000 1.045 609 V CA 1.043 63.327 62.300 -0.028 0.000 1.024 609 V CB -0.229 31.582 31.823 -0.020 0.000 0.651 609 V HN 0.288 nan 8.190 nan 0.000 0.449 610 I N -0.811 119.724 120.570 -0.058 0.000 2.353 610 I HA -0.147 4.023 4.170 0.001 0.000 0.248 610 I C 2.351 178.455 176.117 -0.022 0.000 1.119 610 I CA 1.591 62.824 61.300 -0.112 0.000 1.417 610 I CB -0.869 36.890 38.000 -0.402 0.000 1.078 610 I HN 0.269 nan 8.210 nan 0.000 0.421 611 Y N 1.065 121.215 120.300 -0.251 0.000 2.224 611 Y HA -0.228 4.323 4.550 0.001 0.000 0.289 611 Y C 2.585 178.458 175.900 -0.045 0.000 1.146 611 Y CA 1.357 59.359 58.100 -0.163 0.000 1.182 611 Y CB -1.028 37.345 38.460 -0.144 0.000 0.983 611 Y HN 0.269 nan 8.280 nan 0.000 0.524 612 K N 0.459 120.936 120.400 0.129 0.000 2.097 612 K HA -0.223 4.098 4.320 0.001 0.000 0.205 612 K C 2.202 178.879 176.600 0.129 0.000 1.050 612 K CA 1.481 57.838 56.287 0.117 0.000 0.938 612 K CB -0.164 32.377 32.500 0.068 0.000 0.718 612 K HN 0.342 nan 8.250 nan 0.000 0.442 613 Q N 0.678 120.525 119.800 0.078 0.000 2.079 613 Q HA -0.181 4.160 4.340 0.001 0.000 0.200 613 Q C 2.257 178.278 176.000 0.036 0.000 0.974 613 Q CA 1.317 57.148 55.803 0.047 0.000 0.840 613 Q CB -0.049 28.701 28.738 0.020 0.000 0.898 613 Q HN 0.288 nan 8.270 nan 0.000 0.430 614 R N -0.569 119.952 120.500 0.035 0.000 2.096 614 R HA -0.157 4.184 4.340 0.001 0.000 0.235 614 R C 2.080 178.390 176.300 0.016 0.000 1.127 614 R CA 1.358 57.460 56.100 0.002 0.000 0.968 614 R CB -0.327 29.953 30.300 -0.032 0.000 0.861 614 R HN 0.350 nan 8.270 nan 0.000 0.440 615 F N 2.181 122.091 119.950 -0.067 0.000 2.146 615 F HA -0.123 4.404 4.527 0.001 0.000 0.298 615 F C 2.008 177.788 175.800 -0.034 0.000 1.096 615 F CA 1.383 59.346 58.000 -0.062 0.000 1.275 615 F CB 0.005 38.972 39.000 -0.056 0.000 1.008 615 F HN 0.004 nan 8.300 nan 0.000 0.480 616 E N 0.279 120.487 120.200 0.015 0.000 2.130 616 E HA -0.200 4.151 4.350 0.001 0.000 0.196 616 E C 2.527 179.038 176.600 -0.149 0.000 0.998 616 E CA 1.567 57.928 56.400 -0.065 0.000 0.806 616 E CB -1.072 28.634 29.700 0.011 0.000 0.738 616 E HN 0.375 nan 8.360 nan 0.000 0.459 617 V N 2.448 122.292 119.914 -0.117 0.000 2.261 617 V HA -0.236 3.884 4.120 0.001 0.000 0.246 617 V C 2.559 178.565 176.094 -0.147 0.000 1.047 617 V CA 2.014 64.252 62.300 -0.102 0.000 1.015 617 V CB -0.672 31.111 31.823 -0.067 0.000 0.642 617 V HN 0.350 nan 8.190 nan 0.000 0.446 618 I N -1.597 118.847 120.570 -0.210 0.000 3.111 618 I HA -0.006 4.165 4.170 0.001 0.000 0.272 618 I C 1.642 177.587 176.117 -0.287 0.000 1.268 618 I CA 1.785 62.964 61.300 -0.201 0.000 1.467 618 I CB -0.321 37.576 38.000 -0.172 0.000 1.087 618 I HN 0.265 nan 8.210 nan 0.000 0.467 619 D N 1.162 121.298 120.400 -0.440 0.000 2.398 619 D HA 0.055 4.696 4.640 0.001 0.000 0.210 619 D C 0.868 177.037 176.300 -0.219 0.000 1.094 619 D CA 0.074 53.810 54.000 -0.439 0.000 0.839 619 D CB 0.415 40.706 40.800 -0.848 0.000 0.963 619 D HN 0.439 nan 8.370 nan 0.000 0.506 620 S N -0.598 115.007 115.700 -0.159 0.000 2.554 620 S HA 0.271 4.741 4.470 0.001 0.000 0.278 620 S C 1.122 175.688 174.600 -0.058 0.000 1.242 620 S CA -0.607 57.541 58.200 -0.087 0.000 1.051 620 S CB 2.071 65.231 63.200 -0.066 0.000 0.986 620 S HN -0.031 nan 8.310 nan 0.000 0.502 621 E N 2.382 122.560 120.200 -0.037 0.000 2.028 621 E HA 0.009 4.359 4.350 0.001 0.000 0.191 621 E C 0.217 176.812 176.600 -0.009 0.000 0.988 621 E CA 1.201 57.588 56.400 -0.021 0.000 0.799 621 E CB 0.108 29.800 29.700 -0.013 0.000 0.755 621 E HN 0.718 nan 8.360 nan 0.000 0.447 622 N N -0.241 118.457 118.700 -0.004 0.000 2.354 622 N HA 0.150 4.891 4.740 0.001 0.000 0.287 622 N C -0.221 175.295 175.510 0.010 0.000 1.016 622 N CA -0.164 52.893 53.050 0.013 0.000 0.871 622 N CB 1.271 39.768 38.487 0.017 0.000 1.299 622 N HN 0.083 nan 8.380 nan 0.000 0.482 623 L N 2.871 124.112 121.223 0.030 0.000 2.558 623 L HA 0.167 4.508 4.340 0.001 0.000 0.225 623 L C 2.376 179.267 176.870 0.036 0.000 1.128 623 L CA 0.117 54.973 54.840 0.027 0.000 0.868 623 L CB -0.057 42.026 42.059 0.039 0.000 1.006 623 L HN 0.568 nan 8.230 nan 0.000 0.454 624 R N 1.068 121.598 120.500 0.051 0.000 2.115 624 R HA -0.308 4.033 4.340 0.001 0.000 0.239 624 R C 2.048 178.290 176.300 -0.096 0.000 1.133 624 R CA 2.515 58.611 56.100 -0.007 0.000 0.935 624 R CB -0.273 30.023 30.300 -0.007 0.000 0.853 624 R HN 0.419 nan 8.270 nan 0.000 0.433 625 E N 0.265 120.425 120.200 -0.066 0.000 2.049 625 E HA -0.227 4.124 4.350 0.001 0.000 0.198 625 E C 2.121 178.681 176.600 -0.067 0.000 1.007 625 E CA 2.050 58.406 56.400 -0.073 0.000 0.809 625 E CB -0.233 29.438 29.700 -0.048 0.000 0.749 625 E HN 0.536 nan 8.360 nan 0.000 0.450 626 I N 0.371 120.915 120.570 -0.043 0.000 2.163 626 I HA -0.293 3.878 4.170 0.001 0.000 0.243 626 I C 2.422 178.516 176.117 -0.039 0.000 1.085 626 I CA 1.063 62.341 61.300 -0.036 0.000 1.347 626 I CB -0.218 37.767 38.000 -0.025 0.000 1.044 626 I HN 0.125 nan 8.210 nan 0.000 0.408 627 V N 0.442 120.339 119.914 -0.028 0.000 2.358 627 V HA -0.256 3.865 4.120 0.001 0.000 0.246 627 V C 2.352 178.406 176.094 -0.066 0.000 1.047 627 V CA 1.810 64.104 62.300 -0.011 0.000 1.035 627 V CB -0.672 31.194 31.823 0.073 0.000 0.658 627 V HN 0.421 nan 8.190 nan 0.000 0.452 628 E N 0.142 120.249 120.200 -0.156 0.000 2.085 628 E HA -0.232 4.118 4.350 0.001 0.000 0.194 628 E C 2.180 178.700 176.600 -0.133 0.000 0.994 628 E CA 1.341 57.617 56.400 -0.205 0.000 0.801 628 E CB -0.284 29.252 29.700 -0.273 0.000 0.743 628 E HN 0.622 nan 8.360 nan 0.000 0.453 629 N N 0.421 119.060 118.700 -0.103 0.000 2.061 629 N HA -0.196 4.544 4.740 0.001 0.000 0.193 629 N C 1.980 177.447 175.510 -0.072 0.000 1.030 629 N CA 1.414 54.416 53.050 -0.080 0.000 0.856 629 N CB -0.136 38.315 38.487 -0.061 0.000 1.023 629 N HN 0.184 nan 8.380 nan 0.000 0.424 630 M N 0.568 120.133 119.600 -0.057 0.000 2.108 630 M HA -0.157 4.323 4.480 0.001 0.000 0.261 630 M C 2.174 178.445 176.300 -0.047 0.000 1.066 630 M CA 1.386 56.660 55.300 -0.043 0.000 1.107 630 M CB -0.340 32.246 32.600 -0.023 0.000 1.356 630 M HN 0.139 nan 8.290 nan 0.000 0.406 631 I N -0.100 120.436 120.570 -0.056 0.000 2.179 631 I HA -0.322 3.848 4.170 0.001 0.000 0.242 631 I C 2.620 178.623 176.117 -0.191 0.000 1.088 631 I CA 1.411 62.657 61.300 -0.090 0.000 1.357 631 I CB -0.459 37.496 38.000 -0.075 0.000 1.051 631 I HN 0.304 nan 8.210 nan 0.000 0.409 632 K N 0.682 120.983 120.400 -0.165 0.000 2.009 632 K HA -0.190 4.130 4.320 0.001 0.000 0.210 632 K C 2.325 178.841 176.600 -0.140 0.000 1.049 632 K CA 2.013 58.199 56.287 -0.168 0.000 0.929 632 K CB -0.062 32.363 32.500 -0.126 0.000 0.714 632 K HN 0.149 nan 8.250 nan 0.000 0.440 633 S N 0.257 115.897 115.700 -0.100 0.000 2.374 633 S HA -0.180 4.291 4.470 0.001 0.000 0.227 633 S C 1.989 176.549 174.600 -0.067 0.000 1.037 633 S CA 1.812 59.967 58.200 -0.074 0.000 1.024 633 S CB -0.305 62.858 63.200 -0.060 0.000 0.861 633 S HN 0.544 nan 8.310 nan 0.000 0.456 634 S N 0.932 116.593 115.700 -0.065 0.000 2.414 634 S HA 0.045 4.515 4.470 0.001 0.000 0.227 634 S C 1.824 176.412 174.600 -0.021 0.000 1.022 634 S CA 0.515 58.708 58.200 -0.012 0.000 0.958 634 S CB -0.330 62.903 63.200 0.054 0.000 0.797 634 S HN 0.318 nan 8.310 nan 0.000 0.493 635 L N 2.164 123.268 121.223 -0.198 0.000 2.046 635 L HA 0.096 4.436 4.340 0.001 0.000 0.208 635 L C 2.457 179.257 176.870 -0.116 0.000 1.077 635 L CA 2.361 57.023 54.840 -0.296 0.000 0.747 635 L CB -0.991 40.767 42.059 -0.502 0.000 0.896 635 L HN 0.496 nan 8.230 nan 0.000 0.432 636 E N -0.813 119.327 120.200 -0.100 0.000 2.153 636 E HA -0.269 4.082 4.350 0.001 0.000 0.194 636 E C 2.292 178.878 176.600 -0.024 0.000 0.988 636 E CA 1.007 57.371 56.400 -0.060 0.000 0.811 636 E CB 0.031 29.695 29.700 -0.059 0.000 0.746 636 E HN 0.447 nan 8.360 nan 0.000 0.466 637 R N -0.406 120.087 120.500 -0.011 0.000 2.093 637 R HA 0.018 4.358 4.340 0.001 0.000 0.224 637 R C 2.257 178.590 176.300 0.056 0.000 1.101 637 R CA 1.041 57.148 56.100 0.013 0.000 0.979 637 R CB -0.107 30.197 30.300 0.006 0.000 0.877 637 R HN 0.140 nan 8.270 nan 0.000 0.441 638 A N 0.752 123.622 122.820 0.083 0.000 1.902 638 A HA -0.134 4.187 4.320 0.001 0.000 0.217 638 A C 2.054 179.727 177.584 0.149 0.000 1.181 638 A CA 1.192 53.315 52.037 0.143 0.000 0.623 638 A CB -0.434 18.672 19.000 0.175 0.000 0.818 638 A HN 0.199 nan 8.150 nan 0.000 0.443 639 I N -0.305 120.302 120.570 0.062 0.000 2.133 639 I HA -0.252 3.918 4.170 0.001 0.000 0.238 639 I C 2.990 179.145 176.117 0.064 0.000 1.074 639 I CA 1.064 62.386 61.300 0.035 0.000 1.342 639 I CB -0.423 37.566 38.000 -0.019 0.000 1.053 639 I HN 0.333 nan 8.210 nan 0.000 0.404 640 A N 0.755 123.594 122.820 0.032 0.000 1.986 640 A HA -0.225 4.095 4.320 0.001 0.000 0.220 640 A C 2.379 179.976 177.584 0.021 0.000 1.171 640 A CA 1.990 54.034 52.037 0.012 0.000 0.640 640 A CB -0.823 18.175 19.000 -0.003 0.000 0.811 640 A HN 0.487 nan 8.150 nan 0.000 0.451 641 A N -2.793 120.066 122.820 0.064 0.000 2.209 641 A HA 0.167 4.487 4.320 0.001 0.000 0.212 641 A C 1.570 179.109 177.584 -0.075 0.000 1.158 641 A CA 0.986 53.024 52.037 0.002 0.000 0.742 641 A CB -0.475 18.532 19.000 0.012 0.000 0.790 641 A HN 0.638 nan 8.150 nan 0.000 0.472 642 Y N -0.772 119.488 120.300 -0.068 0.000 2.500 642 Y HA 0.118 4.668 4.550 0.001 0.000 0.246 642 Y C 1.049 176.859 175.900 -0.151 0.000 1.146 642 Y CA 0.618 58.664 58.100 -0.090 0.000 1.230 642 Y CB 0.917 39.333 38.460 -0.074 0.000 1.214 642 Y HN 0.286 nan 8.280 nan 0.000 0.526 643 T N -1.414 113.122 114.554 -0.030 0.000 3.466 643 T HA 0.408 4.759 4.350 0.001 0.000 0.297 643 T C -2.954 171.659 174.700 -0.145 0.000 1.640 643 T CA -2.198 59.807 62.100 -0.158 0.000 1.631 643 T CB 0.371 69.142 68.868 -0.161 0.000 0.928 643 T HN -0.244 nan 8.240 nan 0.000 0.688 644 P HA 0.287 nan 4.420 nan 0.000 0.268 644 P C 1.159 178.415 177.300 -0.073 0.000 1.205 644 P CA -0.577 62.470 63.100 -0.088 0.000 0.771 644 P CB 0.785 32.434 31.700 -0.084 0.000 0.858 645 R N 1.973 122.458 120.500 -0.025 0.000 2.105 645 R HA -0.147 4.194 4.340 0.001 0.000 0.239 645 R C 0.481 176.813 176.300 0.054 0.000 1.135 645 R CA 1.280 57.391 56.100 0.018 0.000 0.967 645 R CB -0.583 29.731 30.300 0.022 0.000 0.861 645 R HN 0.685 nan 8.270 nan 0.000 0.442 646 E N 1.938 122.157 120.200 0.031 0.000 1.972 646 E HA 0.133 4.483 4.350 0.001 0.000 0.292 646 E C -0.231 176.406 176.600 0.061 0.000 1.193 646 E CA -0.252 56.180 56.400 0.054 0.000 1.228 646 E CB -0.118 29.598 29.700 0.027 0.000 1.167 646 E HN 0.067 nan 8.360 nan 0.000 0.479 653 K N 1.205 121.534 120.400 -0.117 0.000 2.106 653 K HA 0.543 4.863 4.320 0.001 0.000 0.246 653 K C -1.048 175.540 176.600 -0.019 0.000 0.987 653 K CA -0.742 55.415 56.287 -0.217 0.000 0.904 653 K CB 1.533 33.802 32.500 -0.384 0.000 1.071 653 K HN -0.074 nan 8.250 nan 0.000 0.453 654 L N 1.526 122.762 121.223 0.021 0.000 2.317 654 L HA 0.294 4.634 4.340 0.001 0.000 0.281 654 L C -0.953 176.012 176.870 0.158 0.000 1.024 654 L CA 0.036 54.931 54.840 0.092 0.000 0.810 654 L CB 1.409 43.518 42.059 0.083 0.000 1.240 654 L HN 0.541 nan 8.230 nan 0.000 0.427 655 D N 3.865 124.327 120.400 0.104 0.000 3.123 655 D HA 0.274 4.914 4.640 0.001 0.000 0.305 655 D C 1.216 177.517 176.300 0.002 0.000 1.373 655 D CA 0.106 54.127 54.000 0.034 0.000 0.889 655 D CB 0.919 41.734 40.800 0.026 0.000 1.070 655 D HN 0.809 nan 8.370 nan 0.000 0.494 656 G N 0.287 109.129 108.800 0.071 0.000 2.848 656 G HA2 -0.119 3.842 3.960 0.001 0.000 0.208 656 G HA3 -0.119 3.842 3.960 0.001 0.000 0.208 656 G C 1.494 176.264 174.900 -0.216 0.000 1.152 656 G CA -0.058 45.063 45.100 0.035 0.000 0.789 656 G HN 0.376 nan 8.290 nan 0.000 0.531 657 L N 1.055 121.936 121.223 -0.571 0.000 2.012 657 L HA -0.120 4.221 4.340 0.001 0.000 0.210 657 L C 2.996 179.671 176.870 -0.325 0.000 1.073 657 L CA 2.100 56.455 54.840 -0.809 0.000 0.748 657 L CB -0.264 41.342 42.059 -0.754 0.000 0.891 657 L HN 0.167 nan 8.230 nan 0.000 0.431 658 V N -2.047 117.757 119.914 -0.184 0.000 2.343 658 V HA -0.260 3.861 4.120 0.001 0.000 0.247 658 V C 2.031 178.080 176.094 -0.074 0.000 1.051 658 V CA 2.106 64.351 62.300 -0.091 0.000 1.036 658 V CB -1.062 30.734 31.823 -0.046 0.000 0.654 658 V HN 0.500 nan 8.190 nan 0.000 0.451 659 D N 0.422 120.777 120.400 -0.075 0.000 2.117 659 D HA -0.159 4.482 4.640 0.001 0.000 0.197 659 D C 2.109 178.368 176.300 -0.069 0.000 0.987 659 D CA 1.862 55.830 54.000 -0.053 0.000 0.829 659 D CB -0.221 40.560 40.800 -0.032 0.000 0.961 659 D HN 0.513 nan 8.370 nan 0.000 0.460 660 L N 1.126 122.290 121.223 -0.097 0.000 2.017 660 L HA -0.167 4.173 4.340 0.001 0.000 0.208 660 L C 2.202 179.000 176.870 -0.121 0.000 1.073 660 L CA 1.209 55.985 54.840 -0.106 0.000 0.745 660 L CB -0.340 41.655 42.059 -0.106 0.000 0.894 660 L HN -0.053 nan 8.230 nan 0.000 0.432 661 I N 0.067 120.601 120.570 -0.060 0.000 2.335 661 I HA -0.268 3.902 4.170 0.001 0.000 0.251 661 I C 1.833 177.953 176.117 0.006 0.000 1.129 661 I CA 1.216 62.547 61.300 0.051 0.000 1.402 661 I CB -1.530 36.514 38.000 0.073 0.000 1.069 661 I HN 0.427 nan 8.210 nan 0.000 0.424 662 N N 0.059 118.741 118.700 -0.030 0.000 2.463 662 N HA -0.037 4.704 4.740 0.001 0.000 0.181 662 N C 1.528 177.005 175.510 -0.055 0.000 1.078 662 N CA 0.759 53.793 53.050 -0.026 0.000 0.902 662 N CB 0.019 38.494 38.487 -0.019 0.000 0.970 662 N HN 0.331 nan 8.380 nan 0.000 0.451 663 T N -1.040 113.455 114.554 -0.099 0.000 3.022 663 T HA 0.115 4.466 4.350 0.001 0.000 0.250 663 T C 1.445 176.030 174.700 -0.192 0.000 1.060 663 T CA 0.678 62.709 62.100 -0.114 0.000 1.013 663 T CB 0.489 69.296 68.868 -0.101 0.000 0.982 663 T HN 0.216 nan 8.240 nan 0.000 0.508 664 T N -0.310 114.050 114.554 -0.324 0.000 3.058 664 T HA 0.213 4.564 4.350 0.001 0.000 0.247 664 T C 1.123 175.471 174.700 -0.587 0.000 0.987 664 T CA 0.049 61.795 62.100 -0.590 0.000 1.062 664 T CB 0.015 68.273 68.868 -1.017 0.000 1.048 664 T HN 0.387 nan 8.240 nan 0.000 0.468 665 Y N 0.270 120.553 120.300 -0.029 0.000 2.535 665 Y HA 0.571 5.122 4.550 0.001 0.000 0.264 665 Y C 0.954 176.853 175.900 -0.000 0.000 1.087 665 Y CA -0.492 57.601 58.100 -0.013 0.000 1.285 665 Y CB 0.474 38.923 38.460 -0.018 0.000 1.200 665 Y HN 0.010 nan 8.280 nan 0.000 0.514 666 L N -0.693 120.592 121.223 0.104 0.000 2.305 666 L HA 0.454 4.795 4.340 0.001 0.000 0.261 666 L C -1.008 175.877 176.870 0.025 0.000 1.100 666 L CA -1.197 53.683 54.840 0.066 0.000 1.073 666 L CB 1.052 43.150 42.059 0.064 0.000 1.656 666 L HN -0.136 nan 8.230 nan 0.000 0.536 667 D N -1.225 119.187 120.400 0.021 0.000 2.384 667 D HA 0.286 4.927 4.640 0.001 0.000 0.250 667 D C -0.814 175.488 176.300 0.004 0.000 1.029 667 D CA -0.650 53.356 54.000 0.010 0.000 0.990 667 D CB 0.811 41.619 40.800 0.013 0.000 1.175 667 D HN 0.305 nan 8.370 nan 0.000 0.532 668 E N -0.169 120.031 120.200 0.000 0.000 2.452 668 E HA 0.277 4.627 4.350 0.001 0.000 0.261 668 E C 0.752 177.353 176.600 0.000 0.000 0.987 668 E CA 0.479 56.877 56.400 -0.002 0.000 0.926 668 E CB 0.133 29.832 29.700 -0.002 0.000 0.934 668 E HN 0.637 nan 8.360 nan 0.000 0.452 669 G N 3.152 111.951 108.800 -0.002 0.000 2.341 669 G HA2 -0.297 3.663 3.960 0.001 0.000 0.292 669 G HA3 -0.297 3.663 3.960 0.001 0.000 0.292 669 G C 0.567 175.468 174.900 0.003 0.000 1.021 669 G CA 0.503 45.603 45.100 0.000 0.000 0.905 669 G HN 0.694 nan 8.290 nan 0.000 0.508 670 A N -1.088 121.736 122.820 0.005 0.000 2.308 670 A HA 0.699 5.020 4.320 0.001 0.000 0.217 670 A C 0.819 178.408 177.584 0.009 0.000 1.216 670 A CA 0.876 52.919 52.037 0.009 0.000 0.864 670 A CB 0.411 19.419 19.000 0.014 0.000 0.902 670 A HN 1.139 nan 8.150 nan 0.000 0.499 671 L N -1.486 119.740 121.223 0.006 0.000 2.479 671 L HA 0.706 5.047 4.340 0.001 0.000 0.255 671 L C -1.656 175.216 176.870 0.003 0.000 1.026 671 L CA -0.247 54.597 54.840 0.006 0.000 0.842 671 L CB 2.126 44.190 42.059 0.007 0.000 1.444 671 L HN 0.120 nan 8.230 nan 0.000 0.409 672 E N 0.466 120.670 120.200 0.006 0.000 2.377 672 E HA 0.269 4.619 4.350 0.001 0.000 0.266 672 E C -1.125 175.487 176.600 0.020 0.000 1.111 672 E CA -0.515 55.890 56.400 0.008 0.000 0.889 672 E CB 1.239 30.943 29.700 0.006 0.000 1.644 672 E HN 0.486 nan 8.360 nan 0.000 0.464 673 K N 0.972 121.392 120.400 0.033 0.000 2.989 673 K HA 0.156 4.477 4.320 0.001 0.000 0.264 673 K C 0.144 176.776 176.600 0.054 0.000 1.228 673 K CA 0.039 56.368 56.287 0.069 0.000 1.186 673 K CB -0.468 32.092 32.500 0.100 0.000 1.409 673 K HN 0.226 nan 8.250 nan 0.000 0.271 674 S N 1.183 116.906 115.700 0.039 0.000 2.438 674 S HA 0.201 4.672 4.470 0.001 0.000 0.316 674 S C -0.414 174.210 174.600 0.041 0.000 1.084 674 S CA -0.662 57.556 58.200 0.030 0.000 1.107 674 S CB 0.611 63.821 63.200 0.016 0.000 0.981 674 S HN 0.505 nan 8.310 nan 0.000 0.466 675 D N 1.940 122.371 120.400 0.052 0.000 2.911 675 D HA -0.179 4.461 4.640 0.001 0.000 0.227 675 D C 0.192 176.531 176.300 0.066 0.000 1.164 675 D CA 1.307 55.340 54.000 0.055 0.000 0.782 675 D CB -1.655 39.164 40.800 0.032 0.000 1.094 675 D HN 0.612 nan 8.370 nan 0.000 0.425 676 I N -1.328 119.301 120.570 0.099 0.000 3.623 676 I HA 0.186 4.357 4.170 0.001 0.000 0.253 676 I C 0.593 176.803 176.117 0.155 0.000 1.144 676 I CA -0.478 60.879 61.300 0.094 0.000 1.461 676 I CB 0.284 38.328 38.000 0.074 0.000 1.575 676 I HN 0.035 nan 8.210 nan 0.000 0.445 677 F N 2.993 122.961 119.950 0.030 0.000 2.607 677 F HA 0.318 4.846 4.527 0.001 0.000 0.374 677 F C 1.073 176.923 175.800 0.084 0.000 1.104 677 F CA 1.147 59.184 58.000 0.062 0.000 1.296 677 F CB 0.558 39.596 39.000 0.064 0.000 1.085 677 F HN 0.421 nan 8.300 nan 0.000 0.584 678 G N 3.860 112.498 108.800 -0.270 0.000 2.136 678 G HA2 -0.246 3.715 3.960 0.001 0.000 0.242 678 G HA3 -0.246 3.715 3.960 0.001 0.000 0.242 678 G C -0.432 174.507 174.900 0.066 0.000 0.989 678 G CA 0.129 45.201 45.100 -0.047 0.000 0.682 678 G HN 0.719 nan 8.290 nan 0.000 0.522 679 K N 0.433 120.858 120.400 0.042 0.000 2.316 679 K HA 0.572 4.893 4.320 0.001 0.000 0.251 679 K C -0.322 176.290 176.600 0.020 0.000 0.934 679 K CA -1.080 55.234 56.287 0.044 0.000 0.802 679 K CB 2.009 34.537 32.500 0.046 0.000 1.171 679 K HN 0.073 nan 8.250 nan 0.000 0.426 680 E N 2.169 122.385 120.200 0.027 0.000 2.415 680 E HA -0.001 4.350 4.350 0.001 0.000 0.262 680 E C -1.686 174.908 176.600 -0.010 0.000 1.038 680 E CA -1.707 54.702 56.400 0.016 0.000 0.921 680 E CB 0.172 29.885 29.700 0.022 0.000 0.950 680 E HN 0.305 nan 8.360 nan 0.000 0.438 681 P HA -0.244 nan 4.420 nan 0.000 0.216 681 P C 0.905 178.188 177.300 -0.028 0.000 1.167 681 P CA 1.786 64.865 63.100 -0.035 0.000 0.914 681 P CB 0.054 31.734 31.700 -0.033 0.000 0.793 682 D N -0.228 120.160 120.400 -0.020 0.000 2.178 682 D HA -0.202 4.438 4.640 0.001 0.000 0.201 682 D C 1.645 177.933 176.300 -0.020 0.000 0.980 682 D CA 1.140 55.127 54.000 -0.021 0.000 0.842 682 D CB -0.844 39.947 40.800 -0.015 0.000 0.948 682 D HN 0.309 nan 8.370 nan 0.000 0.472 683 E N -0.133 120.060 120.200 -0.011 0.000 2.204 683 E HA -0.060 4.290 4.350 0.001 0.000 0.194 683 E C 2.320 178.913 176.600 -0.011 0.000 0.989 683 E CA 0.620 57.016 56.400 -0.007 0.000 0.824 683 E CB -0.001 29.702 29.700 0.005 0.000 0.756 683 E HN 0.354 nan 8.360 nan 0.000 0.477 684 M N 0.236 119.826 119.600 -0.018 0.000 2.134 684 M HA -0.113 4.367 4.480 0.001 0.000 0.262 684 M C 2.357 178.635 176.300 -0.037 0.000 1.076 684 M CA 0.847 56.133 55.300 -0.023 0.000 1.143 684 M CB -0.253 32.329 32.600 -0.031 0.000 1.346 684 M HN 0.181 nan 8.290 nan 0.000 0.421 685 L N 0.749 121.945 121.223 -0.045 0.000 1.978 685 L HA -0.278 4.063 4.340 0.001 0.000 0.218 685 L C 2.123 178.957 176.870 -0.061 0.000 1.075 685 L CA 2.266 57.069 54.840 -0.062 0.000 0.767 685 L CB -0.766 41.257 42.059 -0.060 0.000 0.890 685 L HN 0.307 nan 8.230 nan 0.000 0.434 686 E N -0.227 119.946 120.200 -0.046 0.000 2.265 686 E HA -0.219 4.131 4.350 0.001 0.000 0.196 686 E C 2.075 178.653 176.600 -0.036 0.000 0.996 686 E CA 0.981 57.356 56.400 -0.042 0.000 0.832 686 E CB -0.207 29.474 29.700 -0.031 0.000 0.756 686 E HN 0.584 nan 8.360 nan 0.000 0.491 687 L N -0.734 120.471 121.223 -0.031 0.000 2.168 687 L HA 0.089 4.430 4.340 0.001 0.000 0.203 687 L C 1.894 178.749 176.870 -0.026 0.000 1.078 687 L CA 0.716 55.544 54.840 -0.021 0.000 0.780 687 L CB -0.009 42.044 42.059 -0.010 0.000 0.939 687 L HN 0.112 nan 8.230 nan 0.000 0.451 688 I N -0.524 120.024 120.570 -0.037 0.000 2.439 688 I HA -0.230 3.940 4.170 0.001 0.000 0.251 688 I C 2.365 178.446 176.117 -0.060 0.000 1.139 688 I CA 0.794 62.069 61.300 -0.041 0.000 1.438 688 I CB -0.102 37.868 38.000 -0.051 0.000 1.085 688 I HN 0.354 nan 8.210 nan 0.000 0.427 689 M N 0.982 120.534 119.600 -0.079 0.000 2.175 689 M HA -0.182 4.299 4.480 0.001 0.000 0.264 689 M C 1.534 177.797 176.300 -0.062 0.000 1.063 689 M CA 1.817 57.060 55.300 -0.094 0.000 1.119 689 M CB -0.446 32.090 32.600 -0.106 0.000 1.377 689 M HN 0.054 nan 8.290 nan 0.000 0.415 690 D N -0.330 120.043 120.400 -0.044 0.000 2.123 690 D HA -0.165 4.475 4.640 0.001 0.000 0.196 690 D C 2.085 178.377 176.300 -0.014 0.000 0.992 690 D CA 1.042 55.025 54.000 -0.028 0.000 0.833 690 D CB -0.280 40.508 40.800 -0.020 0.000 0.954 690 D HN 0.324 nan 8.370 nan 0.000 0.455 691 R N 0.154 120.648 120.500 -0.009 0.000 2.092 691 R HA -0.063 4.277 4.340 0.001 0.000 0.231 691 R C 2.183 178.494 176.300 0.019 0.000 1.119 691 R CA 0.472 56.576 56.100 0.007 0.000 0.970 691 R CB -0.254 30.052 30.300 0.009 0.000 0.864 691 R HN 0.278 nan 8.270 nan 0.000 0.440 692 I N 1.194 121.768 120.570 0.007 0.000 2.163 692 I HA -0.252 3.918 4.170 0.001 0.000 0.240 692 I C 2.484 178.634 176.117 0.056 0.000 1.081 692 I CA 1.115 62.433 61.300 0.031 0.000 1.353 692 I CB -1.035 36.953 38.000 -0.020 0.000 1.054 692 I HN 0.021 nan 8.210 nan 0.000 0.407 693 I N 0.986 121.558 120.570 0.004 0.000 2.145 693 I HA -0.315 3.855 4.170 0.001 0.000 0.244 693 I C 2.579 178.738 176.117 0.069 0.000 1.075 693 I CA 1.767 63.069 61.300 0.003 0.000 1.332 693 I CB -1.886 36.093 38.000 -0.036 0.000 1.033 693 I HN 0.251 nan 8.210 nan 0.000 0.410 694 T N 0.809 115.390 114.554 0.045 0.000 2.652 694 T HA -0.247 4.103 4.350 0.001 0.000 0.267 694 T C 2.002 176.738 174.700 0.060 0.000 1.039 694 T CA 1.869 63.996 62.100 0.045 0.000 1.153 694 T CB -0.240 68.644 68.868 0.026 0.000 0.863 694 T HN 0.327 nan 8.240 nan 0.000 0.428 695 K N -0.447 119.993 120.400 0.066 0.000 2.148 695 K HA -0.108 4.212 4.320 0.001 0.000 0.204 695 K C 2.164 178.802 176.600 0.062 0.000 1.050 695 K CA 0.996 57.316 56.287 0.055 0.000 0.942 695 K CB -0.221 32.313 32.500 0.056 0.000 0.724 695 K HN 0.450 nan 8.250 nan 0.000 0.446 696 Y N 1.796 122.082 120.300 -0.023 0.000 2.109 696 Y HA -0.236 4.314 4.550 0.000 0.000 0.285 696 Y C 1.893 177.767 175.900 -0.044 0.000 1.131 696 Y CA 1.886 59.964 58.100 -0.036 0.000 1.121 696 Y CB -0.217 38.228 38.460 -0.024 0.000 0.987 696 Y HN 0.175 nan 8.280 nan 0.000 0.495 697 N N 0.677 119.520 118.700 0.238 0.000 2.091 697 N HA -0.267 4.474 4.740 0.001 0.000 0.193 697 N C 1.841 177.361 175.510 0.017 0.000 1.021 697 N CA 1.859 54.985 53.050 0.127 0.000 0.862 697 N CB -0.596 37.949 38.487 0.096 0.000 1.018 697 N HN 0.647 nan 8.380 nan 0.000 0.429 698 E N 0.762 120.962 120.200 -0.000 0.000 2.072 698 E HA -0.175 4.175 4.350 0.001 0.000 0.190 698 E C 1.759 178.318 176.600 -0.069 0.000 0.982 698 E CA 0.970 57.357 56.400 -0.021 0.000 0.803 698 E CB 0.040 29.736 29.700 -0.007 0.000 0.755 698 E HN 0.124 nan 8.360 nan 0.000 0.453 699 K N 1.200 121.509 120.400 -0.151 0.000 2.032 699 K HA -0.222 4.098 4.320 0.001 0.000 0.209 699 K C 2.081 178.475 176.600 -0.343 0.000 1.048 699 K CA 1.914 58.024 56.287 -0.295 0.000 0.927 699 K CB -0.139 32.089 32.500 -0.453 0.000 0.712 699 K HN 0.177 nan 8.250 nan 0.000 0.441 700 E N 0.139 120.148 120.200 -0.319 0.000 2.077 700 E HA -0.213 4.137 4.350 0.001 0.000 0.193 700 E C 1.572 178.145 176.600 -0.046 0.000 0.989 700 E CA 1.167 57.446 56.400 -0.203 0.000 0.800 700 E CB 0.056 29.672 29.700 -0.140 0.000 0.746 700 E HN 0.312 nan 8.360 nan 0.000 0.452 701 E N 0.330 120.515 120.200 -0.026 0.000 2.118 701 E HA -0.239 4.112 4.350 0.001 0.000 0.195 701 E C 2.117 178.738 176.600 0.034 0.000 0.992 701 E CA 1.209 57.614 56.400 0.009 0.000 0.804 701 E CB -0.116 29.588 29.700 0.006 0.000 0.741 701 E HN 0.419 nan 8.360 nan 0.000 0.458 702 Q N -0.914 118.920 119.800 0.057 0.000 2.245 702 Q HA -0.034 4.306 4.340 0.001 0.000 0.201 702 Q C 1.651 177.758 176.000 0.178 0.000 0.955 702 Q CA 0.646 56.510 55.803 0.103 0.000 0.870 702 Q CB 0.099 28.904 28.738 0.112 0.000 0.945 702 Q HN 0.149 nan 8.270 nan 0.000 0.461 703 F N -0.442 119.434 119.950 -0.124 0.000 2.416 703 F HA 0.246 4.773 4.527 0.000 0.000 0.296 703 F C 1.238 176.984 175.800 -0.090 0.000 1.099 703 F CA 1.000 58.918 58.000 -0.136 0.000 1.427 703 F CB -0.103 38.778 39.000 -0.198 0.000 1.079 703 F HN 0.043 nan 8.300 nan 0.000 0.536 704 G N 0.408 109.281 108.800 0.122 0.000 2.721 704 G HA2 -0.229 3.731 3.960 0.001 0.000 0.686 704 G HA3 -0.229 3.731 3.960 0.001 0.000 0.686 704 G C 0.548 175.489 174.900 0.069 0.000 1.236 704 G CA -0.246 44.892 45.100 0.063 0.000 0.786 704 G HN 0.200 nan 8.290 nan 0.000 0.616 705 K N 0.242 120.668 120.400 0.044 0.000 2.009 705 K HA -0.138 4.183 4.320 0.001 0.000 0.210 705 K C 2.317 178.949 176.600 0.052 0.000 1.049 705 K CA 1.928 58.240 56.287 0.043 0.000 0.929 705 K CB -0.063 32.457 32.500 0.034 0.000 0.714 705 K HN 0.654 nan 8.250 nan 0.000 0.440 706 E N 0.595 120.819 120.200 0.041 0.000 2.106 706 E HA -0.231 4.119 4.350 0.001 0.000 0.192 706 E C 2.002 178.638 176.600 0.060 0.000 0.984 706 E CA 1.257 57.678 56.400 0.036 0.000 0.806 706 E CB 0.202 29.911 29.700 0.014 0.000 0.750 706 E HN 0.229 nan 8.360 nan 0.000 0.458 707 Q N -0.145 119.701 119.800 0.076 0.000 2.119 707 Q HA -0.149 4.192 4.340 0.001 0.000 0.201 707 Q C 1.863 178.001 176.000 0.229 0.000 0.972 707 Q CA 1.401 57.275 55.803 0.118 0.000 0.847 707 Q CB -0.181 28.600 28.738 0.072 0.000 0.903 707 Q HN 0.231 nan 8.270 nan 0.000 0.433 708 M N 0.019 119.736 119.600 0.196 0.000 2.175 708 M HA -0.099 4.381 4.480 0.001 0.000 0.264 708 M C 1.433 177.843 176.300 0.185 0.000 1.063 708 M CA 1.510 56.903 55.300 0.155 0.000 1.119 708 M CB 0.124 32.720 32.600 -0.008 0.000 1.377 708 M HN -0.061 nan 8.290 nan 0.000 0.415 709 R N -0.016 120.560 120.500 0.127 0.000 2.066 709 R HA -0.140 4.200 4.340 0.001 0.000 0.232 709 R C 2.197 178.559 176.300 0.103 0.000 1.131 709 R CA 1.888 58.047 56.100 0.098 0.000 0.955 709 R CB -1.229 29.105 30.300 0.057 0.000 0.851 709 R HN 0.664 nan 8.270 nan 0.000 0.432 710 E N 0.218 120.485 120.200 0.112 0.000 2.038 710 E HA -0.228 4.123 4.350 0.001 0.000 0.195 710 E C 1.829 178.519 176.600 0.150 0.000 1.000 710 E CA 1.376 57.838 56.400 0.103 0.000 0.803 710 E CB -0.345 29.408 29.700 0.089 0.000 0.750 710 E HN 0.204 nan 8.360 nan 0.000 0.448 711 F N 1.745 121.734 119.950 0.066 0.000 2.087 711 F HA -0.249 4.278 4.527 0.001 0.000 0.299 711 F C 1.949 177.776 175.800 0.044 0.000 1.100 711 F CA 2.352 60.401 58.000 0.081 0.000 1.226 711 F CB -0.229 38.867 39.000 0.160 0.000 0.983 711 F HN 0.112 nan 8.300 nan 0.000 0.479 712 E N -0.089 120.124 120.200 0.022 0.000 2.072 712 E HA -0.240 4.110 4.350 0.001 0.000 0.191 712 E C 2.215 178.763 176.600 -0.086 0.000 0.985 712 E CA 1.260 57.608 56.400 -0.087 0.000 0.801 712 E CB -0.268 29.464 29.700 0.052 0.000 0.750 712 E HN 0.434 nan 8.360 nan 0.000 0.452 713 K N 1.074 121.456 120.400 -0.030 0.000 2.002 713 K HA -0.146 4.175 4.320 0.001 0.000 0.209 713 K C 2.138 178.708 176.600 -0.051 0.000 1.048 713 K CA 1.178 57.447 56.287 -0.029 0.000 0.930 713 K CB -0.058 32.440 32.500 -0.002 0.000 0.714 713 K HN -0.057 nan 8.250 nan 0.000 0.438 714 V N 1.972 121.851 119.914 -0.059 0.000 2.380 714 V HA -0.303 3.817 4.120 0.001 0.000 0.251 714 V C 2.356 178.378 176.094 -0.120 0.000 1.063 714 V CA 1.515 63.771 62.300 -0.073 0.000 1.055 714 V CB -0.430 31.355 31.823 -0.062 0.000 0.657 714 V HN 0.358 nan 8.190 nan 0.000 0.455 715 I N -0.532 119.924 120.570 -0.191 0.000 2.235 715 I HA -0.105 4.066 4.170 0.001 0.000 0.241 715 I C 2.476 178.546 176.117 -0.079 0.000 1.085 715 I CA 1.256 62.445 61.300 -0.185 0.000 1.378 715 I CB -1.306 36.534 38.000 -0.267 0.000 1.076 715 I HN 0.156 nan 8.210 nan 0.000 0.415 716 V N 1.476 121.351 119.914 -0.065 0.000 2.255 716 V HA -0.273 3.847 4.120 0.001 0.000 0.247 716 V C 2.694 178.775 176.094 -0.021 0.000 1.051 716 V CA 1.643 63.926 62.300 -0.029 0.000 1.018 716 V CB -0.742 31.064 31.823 -0.028 0.000 0.641 716 V HN 0.329 nan 8.190 nan 0.000 0.445 717 L N -0.327 120.878 121.223 -0.030 0.000 2.079 717 L HA -0.213 4.128 4.340 0.001 0.000 0.210 717 L C 2.747 179.612 176.870 -0.007 0.000 1.081 717 L CA 1.818 56.646 54.840 -0.021 0.000 0.752 717 L CB -0.618 41.425 42.059 -0.026 0.000 0.896 717 L HN 0.316 nan 8.230 nan 0.000 0.433 718 R N 0.743 121.231 120.500 -0.021 0.000 2.066 718 R HA -0.085 4.256 4.340 0.001 0.000 0.232 718 R C 2.247 178.558 176.300 0.019 0.000 1.131 718 R CA 1.660 57.752 56.100 -0.014 0.000 0.955 718 R CB -0.637 29.630 30.300 -0.056 0.000 0.851 718 R HN 0.262 nan 8.270 nan 0.000 0.432 719 A N -0.077 122.759 122.820 0.027 0.000 1.883 719 A HA -0.112 4.209 4.320 0.001 0.000 0.217 719 A C 2.364 179.981 177.584 0.056 0.000 1.186 719 A CA 1.889 53.960 52.037 0.056 0.000 0.624 719 A CB -0.923 18.113 19.000 0.060 0.000 0.822 719 A HN 0.188 nan 8.150 nan 0.000 0.444 720 V N 0.720 120.660 119.914 0.043 0.000 2.261 720 V HA -0.250 3.871 4.120 0.001 0.000 0.246 720 V C 2.215 178.389 176.094 0.134 0.000 1.047 720 V CA 2.394 64.731 62.300 0.061 0.000 1.015 720 V CB -0.828 31.009 31.823 0.022 0.000 0.642 720 V HN 0.530 nan 8.190 nan 0.000 0.446 721 D N 0.227 120.693 120.400 0.110 0.000 2.144 721 D HA -0.126 4.514 4.640 0.001 0.000 0.199 721 D C 2.404 178.808 176.300 0.174 0.000 0.984 721 D CA 1.809 55.903 54.000 0.158 0.000 0.834 721 D CB -0.227 40.627 40.800 0.090 0.000 0.955 721 D HN 0.617 nan 8.370 nan 0.000 0.465 722 S N 0.050 115.820 115.700 0.118 0.000 2.406 722 S HA -0.031 4.440 4.470 0.001 0.000 0.224 722 S C 1.833 176.495 174.600 0.103 0.000 1.030 722 S CA 0.492 58.748 58.200 0.094 0.000 0.958 722 S CB 0.053 63.291 63.200 0.063 0.000 0.811 722 S HN -0.089 nan 8.310 nan 0.000 0.489 723 K N 0.893 121.362 120.400 0.116 0.000 2.217 723 K HA 0.154 4.474 4.320 0.001 0.000 0.202 723 K C 1.623 178.332 176.600 0.182 0.000 1.051 723 K CA 0.842 57.195 56.287 0.109 0.000 0.952 723 K CB -0.479 32.061 32.500 0.067 0.000 0.736 723 K HN 0.659 nan 8.250 nan 0.000 0.453 724 W N 0.710 122.037 121.300 0.045 0.000 2.381 724 W HA -0.174 4.487 4.660 0.001 0.000 0.301 724 W C 1.659 178.256 176.519 0.130 0.000 1.205 724 W CA 1.068 58.469 57.345 0.094 0.000 1.285 724 W CB -0.082 29.444 29.460 0.110 0.000 1.133 724 W HN 0.109 nan 8.180 nan 0.000 0.521 725 M N 0.945 120.583 119.600 0.063 0.000 2.086 725 M HA -0.224 4.256 4.480 0.001 0.000 0.261 725 M C 1.352 177.601 176.300 -0.085 0.000 1.067 725 M CA 2.296 57.571 55.300 -0.042 0.000 1.116 725 M CB -0.778 31.849 32.600 0.045 0.000 1.348 725 M HN -0.208 nan 8.290 nan 0.000 0.407 726 D N -0.765 119.621 120.400 -0.023 0.000 2.117 726 D HA -0.206 4.434 4.640 0.001 0.000 0.197 726 D C 1.864 178.124 176.300 -0.066 0.000 0.987 726 D CA 1.575 55.556 54.000 -0.031 0.000 0.829 726 D CB -0.650 40.153 40.800 0.005 0.000 0.961 726 D HN 0.611 nan 8.370 nan 0.000 0.460 727 H N 0.364 119.329 119.070 -0.175 0.000 2.357 727 H HA 0.022 4.578 4.556 0.001 0.000 0.301 727 H C 2.176 177.306 175.328 -0.329 0.000 1.082 727 H CA 1.126 57.046 56.048 -0.213 0.000 1.342 727 H CB -0.237 29.424 29.762 -0.168 0.000 1.389 727 H HN 0.046 nan 8.280 nan 0.000 0.511 728 I N 0.078 120.353 120.570 -0.492 0.000 2.127 728 I HA -0.290 3.880 4.170 0.001 0.000 0.241 728 I C 2.283 178.230 176.117 -0.284 0.000 1.075 728 I CA 1.888 62.907 61.300 -0.469 0.000 1.334 728 I CB -0.328 37.405 38.000 -0.445 0.000 1.040 728 I HN 0.384 nan 8.210 nan 0.000 0.405 729 D N 0.849 121.123 120.400 -0.209 0.000 2.092 729 D HA -0.212 4.428 4.640 0.001 0.000 0.193 729 D C 2.132 178.339 176.300 -0.155 0.000 0.994 729 D CA 1.832 55.750 54.000 -0.137 0.000 0.828 729 D CB -0.007 40.743 40.800 -0.084 0.000 0.963 729 D HN 0.319 nan 8.370 nan 0.000 0.450 730 A N 0.082 122.792 122.820 -0.184 0.000 1.902 730 A HA -0.149 4.172 4.320 0.001 0.000 0.217 730 A C 2.256 179.718 177.584 -0.203 0.000 1.181 730 A CA 1.659 53.589 52.037 -0.178 0.000 0.623 730 A CB -0.540 18.358 19.000 -0.172 0.000 0.818 730 A HN 0.265 nan 8.150 nan 0.000 0.443 731 M N -0.327 119.088 119.600 -0.309 0.000 2.213 731 M HA -0.119 4.361 4.480 0.001 0.000 0.263 731 M C 1.690 177.956 176.300 -0.056 0.000 1.062 731 M CA 1.408 56.581 55.300 -0.212 0.000 1.105 731 M CB -1.254 31.167 32.600 -0.298 0.000 1.385 731 M HN 0.444 nan 8.290 nan 0.000 0.417 732 D N 0.319 120.654 120.400 -0.110 0.000 2.097 732 D HA -0.151 4.490 4.640 0.001 0.000 0.197 732 D C 1.963 178.188 176.300 -0.124 0.000 0.984 732 D CA 1.329 55.278 54.000 -0.085 0.000 0.826 732 D CB 0.045 40.783 40.800 -0.102 0.000 0.973 732 D HN 0.452 nan 8.370 nan 0.000 0.460 733 Q N -0.288 119.391 119.800 -0.202 0.000 2.119 733 Q HA -0.116 4.224 4.340 0.001 0.000 0.201 733 Q C 2.265 178.185 176.000 -0.133 0.000 0.972 733 Q CA 0.586 56.172 55.803 -0.362 0.000 0.847 733 Q CB -0.090 28.395 28.738 -0.421 0.000 0.903 733 Q HN 0.224 nan 8.270 nan 0.000 0.433 734 L N 1.202 122.411 121.223 -0.022 0.000 2.013 734 L HA -0.237 4.103 4.340 0.001 0.000 0.212 734 L C 2.362 179.326 176.870 0.157 0.000 1.073 734 L CA 1.945 56.843 54.840 0.097 0.000 0.753 734 L CB -0.407 41.719 42.059 0.113 0.000 0.890 734 L HN 0.048 nan 8.230 nan 0.000 0.432 735 R N -1.056 119.534 120.500 0.150 0.000 2.066 735 R HA -0.166 4.174 4.340 0.001 0.000 0.232 735 R C 2.355 178.602 176.300 -0.088 0.000 1.131 735 R CA 1.733 57.811 56.100 -0.036 0.000 0.955 735 R CB -0.288 29.949 30.300 -0.105 0.000 0.851 735 R HN 0.533 nan 8.270 nan 0.000 0.432 736 Q N -0.982 118.793 119.800 -0.041 0.000 2.112 736 Q HA -0.137 4.204 4.340 0.001 0.000 0.206 736 Q C 1.600 177.655 176.000 0.092 0.000 0.987 736 Q CA 1.649 57.463 55.803 0.018 0.000 0.858 736 Q CB -0.136 28.628 28.738 0.042 0.000 0.905 736 Q HN 0.544 nan 8.270 nan 0.000 0.420 737 G N -0.591 108.285 108.800 0.127 0.000 3.337 737 G HA2 0.035 3.995 3.960 0.001 0.000 0.246 737 G HA3 0.035 3.995 3.960 0.001 0.000 0.246 737 G C 0.953 175.914 174.900 0.102 0.000 1.131 737 G CA -0.290 44.908 45.100 0.163 0.000 0.773 737 G HN 0.186 nan 8.290 nan 0.000 0.544 738 I N 0.257 120.840 120.570 0.021 0.000 2.394 738 I HA -0.100 4.071 4.170 0.001 0.000 0.251 738 I C 2.324 178.408 176.117 -0.054 0.000 1.136 738 I CA 1.069 62.358 61.300 -0.018 0.000 1.425 738 I CB -0.079 37.885 38.000 -0.059 0.000 1.079 738 I HN 0.228 nan 8.210 nan 0.000 0.425 739 H N 0.234 119.307 119.070 0.005 0.000 2.457 739 H HA -0.068 4.489 4.556 0.001 0.000 0.297 739 H C 2.013 177.345 175.328 0.006 0.000 1.092 739 H CA 1.543 57.588 56.048 -0.005 0.000 1.309 739 H CB -0.217 29.526 29.762 -0.030 0.000 1.382 739 H HN 0.356 nan 8.280 nan 0.000 0.535 740 L N -0.074 121.224 121.223 0.124 0.000 2.558 740 L HA 0.036 4.376 4.340 0.001 0.000 0.225 740 L C 2.000 178.900 176.870 0.050 0.000 1.128 740 L CA 0.364 55.259 54.840 0.091 0.000 0.868 740 L CB 0.082 42.204 42.059 0.106 0.000 1.006 740 L HN 0.070 nan 8.230 nan 0.000 0.454 741 R N 0.018 120.524 120.500 0.011 0.000 2.335 741 R HA 0.282 4.622 4.340 0.001 0.000 0.210 741 R C 0.847 177.102 176.300 -0.075 0.000 0.892 741 R CA -0.011 56.030 56.100 -0.098 0.000 1.048 741 R CB 0.550 30.801 30.300 -0.081 0.000 1.067 741 R HN 0.162 nan 8.270 nan 0.000 0.524 742 A N 0.964 123.783 122.820 -0.001 0.000 2.386 742 A HA 0.064 4.385 4.320 0.001 0.000 0.248 742 A C -0.939 176.696 177.584 0.084 0.000 1.082 742 A CA -0.120 51.937 52.037 0.033 0.000 0.789 742 A CB 0.065 19.084 19.000 0.031 0.000 1.025 742 A HN 0.275 nan 8.150 nan 0.000 0.490 743 Y N 2.583 122.863 120.300 -0.033 0.000 2.425 743 Y HA 0.462 5.013 4.550 0.001 0.000 0.347 743 Y C 0.736 176.632 175.900 -0.007 0.000 0.976 743 Y CA -0.087 57.997 58.100 -0.026 0.000 1.190 743 Y CB -0.317 38.126 38.460 -0.028 0.000 1.136 743 Y HN 1.622 nan 8.280 nan 0.000 0.517 744 A N 4.189 126.871 122.820 -0.229 0.000 5.391 744 A HA -0.429 3.891 4.320 0.001 0.000 0.315 744 A C 1.484 178.913 177.584 -0.259 0.000 1.874 744 A CA 1.867 53.677 52.037 -0.377 0.000 0.714 744 A CB -1.560 16.939 19.000 -0.834 0.000 1.335 744 A HN 0.671 nan 8.150 nan 0.000 0.382 745 Q N 0.924 120.536 119.800 -0.313 0.000 2.291 745 Q HA 0.089 4.429 4.340 0.001 0.000 0.205 745 Q C 1.227 177.149 176.000 -0.131 0.000 0.970 745 Q CA 1.495 57.190 55.803 -0.180 0.000 0.876 745 Q CB -0.813 27.823 28.738 -0.171 0.000 0.935 745 Q HN 0.962 nan 8.270 nan 0.000 0.455 746 T N -0.151 114.307 114.554 -0.159 0.000 2.795 746 T HA 0.019 4.370 4.350 0.001 0.000 0.314 746 T C 0.351 175.038 174.700 -0.023 0.000 1.069 746 T CA -0.595 61.461 62.100 -0.072 0.000 1.071 746 T CB 0.489 69.331 68.868 -0.043 0.000 0.988 746 T HN 0.135 nan 8.240 nan 0.000 0.543 747 N N 1.805 120.503 118.700 -0.004 0.000 2.444 747 N HA 0.160 4.900 4.740 0.001 0.000 0.271 747 N C -1.908 173.617 175.510 0.026 0.000 1.069 747 N CA -1.872 51.191 53.050 0.022 0.000 0.965 747 N CB 1.441 39.936 38.487 0.013 0.000 1.092 747 N HN 0.313 nan 8.380 nan 0.000 0.476 748 P HA -0.010 nan 4.420 nan 0.000 0.242 748 P C 1.529 178.871 177.300 0.070 0.000 1.197 748 P CA 0.101 63.232 63.100 0.052 0.000 0.765 748 P CB 0.411 32.112 31.700 0.001 0.000 0.936 749 L N -0.141 121.082 121.223 -0.001 0.000 2.046 749 L HA -0.160 4.180 4.340 0.001 0.000 0.208 749 L C 2.393 179.202 176.870 -0.102 0.000 1.077 749 L CA 1.746 56.446 54.840 -0.234 0.000 0.747 749 L CB -0.290 41.555 42.059 -0.357 0.000 0.896 749 L HN -0.027 nan 8.230 nan 0.000 0.432 750 R N -0.245 120.223 120.500 -0.053 0.000 2.092 750 R HA -0.235 4.106 4.340 0.001 0.000 0.231 750 R C 2.085 178.380 176.300 -0.008 0.000 1.119 750 R CA 1.605 57.681 56.100 -0.039 0.000 0.970 750 R CB 0.015 30.295 30.300 -0.035 0.000 0.864 750 R HN 0.325 nan 8.270 nan 0.000 0.440 751 E N -0.246 119.969 120.200 0.025 0.000 2.077 751 E HA -0.223 4.127 4.350 0.001 0.000 0.193 751 E C 1.653 178.300 176.600 0.078 0.000 0.989 751 E CA 1.351 57.776 56.400 0.041 0.000 0.800 751 E CB -0.477 29.250 29.700 0.045 0.000 0.746 751 E HN 0.362 nan 8.360 nan 0.000 0.452 752 Y N 1.171 121.458 120.300 -0.022 0.000 2.165 752 Y HA -0.232 4.319 4.550 0.001 0.000 0.286 752 Y C 2.083 177.979 175.900 -0.008 0.000 1.155 752 Y CA 2.297 60.396 58.100 -0.002 0.000 1.164 752 Y CB -0.293 38.175 38.460 0.014 0.000 0.978 752 Y HN 0.139 nan 8.280 nan 0.000 0.513 753 Q N -0.992 118.772 119.800 -0.061 0.000 2.119 753 Q HA -0.213 4.127 4.340 0.001 0.000 0.201 753 Q C 2.402 178.366 176.000 -0.060 0.000 0.972 753 Q CA 1.667 57.400 55.803 -0.116 0.000 0.847 753 Q CB -0.210 28.484 28.738 -0.073 0.000 0.903 753 Q HN 0.495 nan 8.270 nan 0.000 0.433 754 M N 0.818 120.397 119.600 -0.035 0.000 2.123 754 M HA -0.155 4.325 4.480 0.001 0.000 0.263 754 M C 1.487 177.831 176.300 0.073 0.000 1.069 754 M CA 1.760 57.062 55.300 0.002 0.000 1.133 754 M CB -0.179 32.409 32.600 -0.020 0.000 1.356 754 M HN 0.157 nan 8.290 nan 0.000 0.415 755 E N -0.388 119.828 120.200 0.026 0.000 2.106 755 E HA -0.116 4.234 4.350 0.001 0.000 0.192 755 E C 1.920 178.530 176.600 0.016 0.000 0.984 755 E CA 1.127 57.551 56.400 0.039 0.000 0.806 755 E CB -0.388 29.329 29.700 0.027 0.000 0.750 755 E HN 0.700 nan 8.360 nan 0.000 0.458 756 G N 1.133 109.860 108.800 -0.121 0.000 2.440 756 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 756 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 756 G C 1.387 176.332 174.900 0.075 0.000 1.154 756 G CA 0.515 45.523 45.100 -0.153 0.000 0.767 756 G HN 0.255 nan 8.290 nan 0.000 0.552 757 F N 2.196 122.124 119.950 -0.038 0.000 2.146 757 F HA 0.119 4.647 4.527 0.001 0.000 0.298 757 F C 2.750 178.620 175.800 0.116 0.000 1.096 757 F CA 1.414 59.432 58.000 0.031 0.000 1.275 757 F CB -0.045 38.946 39.000 -0.015 0.000 1.008 757 F HN 0.222 nan 8.300 nan 0.000 0.480 758 A N 0.484 123.478 122.820 0.290 0.000 1.898 758 A HA -0.184 4.136 4.320 0.001 0.000 0.216 758 A C 2.358 180.071 177.584 0.215 0.000 1.181 758 A CA 1.551 53.723 52.037 0.225 0.000 0.620 758 A CB -0.904 18.241 19.000 0.242 0.000 0.819 758 A HN 0.555 nan 8.150 nan 0.000 0.442 759 M N -1.846 117.885 119.600 0.218 0.000 2.149 759 M HA -0.154 4.326 4.480 0.001 0.000 0.261 759 M C 1.970 178.452 176.300 0.303 0.000 1.064 759 M CA 2.005 57.455 55.300 0.250 0.000 1.102 759 M CB -0.239 32.468 32.600 0.178 0.000 1.369 759 M HN 0.483 nan 8.290 nan 0.000 0.408 760 F N 1.168 121.178 119.950 0.100 0.000 2.134 760 F HA -0.198 4.329 4.527 0.001 0.000 0.299 760 F C 2.129 177.822 175.800 -0.178 0.000 1.097 760 F CA 1.819 59.751 58.000 -0.114 0.000 1.264 760 F CB -0.251 38.647 39.000 -0.170 0.000 1.001 760 F HN 0.205 nan 8.300 nan 0.000 0.479 761 E N -0.824 119.301 120.200 -0.125 0.000 2.058 761 E HA -0.265 4.086 4.350 0.001 0.000 0.194 761 E C 2.190 178.659 176.600 -0.219 0.000 0.997 761 E CA 1.477 57.737 56.400 -0.233 0.000 0.801 761 E CB -0.560 28.994 29.700 -0.243 0.000 0.746 761 E HN 0.564 nan 8.360 nan 0.000 0.450 762 H N 0.167 119.170 119.070 -0.112 0.000 2.352 762 H HA -0.124 4.433 4.556 0.001 0.000 0.299 762 H C 2.187 177.437 175.328 -0.131 0.000 1.097 762 H CA 1.393 57.386 56.048 -0.091 0.000 1.311 762 H CB -0.202 29.530 29.762 -0.050 0.000 1.377 762 H HN 0.204 nan 8.280 nan 0.000 0.504 763 M N 0.192 119.752 119.600 -0.067 0.000 2.086 763 M HA -0.168 4.312 4.480 0.001 0.000 0.261 763 M C 1.974 178.124 176.300 -0.250 0.000 1.067 763 M CA 1.472 56.666 55.300 -0.177 0.000 1.116 763 M CB 0.002 32.387 32.600 -0.358 0.000 1.348 763 M HN 0.085 nan 8.290 nan 0.000 0.407 764 I N 0.736 121.066 120.570 -0.400 0.000 2.286 764 I HA -0.258 3.912 4.170 0.001 0.000 0.248 764 I C 2.094 178.103 176.117 -0.181 0.000 1.115 764 I CA 1.600 62.700 61.300 -0.333 0.000 1.392 764 I CB -1.393 36.376 38.000 -0.384 0.000 1.065 764 I HN 0.431 nan 8.210 nan 0.000 0.418 765 E N -0.044 120.064 120.200 -0.153 0.000 2.106 765 E HA -0.175 4.175 4.350 0.001 0.000 0.192 765 E C 2.322 178.890 176.600 -0.055 0.000 0.984 765 E CA 1.328 57.671 56.400 -0.095 0.000 0.806 765 E CB -0.078 29.562 29.700 -0.100 0.000 0.750 765 E HN 0.267 nan 8.360 nan 0.000 0.458 766 S N 0.564 116.237 115.700 -0.045 0.000 2.368 766 S HA -0.111 4.360 4.470 0.001 0.000 0.224 766 S C 1.979 176.566 174.600 -0.022 0.000 1.029 766 S CA 0.720 58.908 58.200 -0.020 0.000 0.988 766 S CB -0.114 63.082 63.200 -0.007 0.000 0.838 766 S HN 0.161 nan 8.310 nan 0.000 0.462 767 I N 1.205 121.751 120.570 -0.040 0.000 2.226 767 I HA -0.174 3.997 4.170 0.001 0.000 0.245 767 I C 2.478 178.585 176.117 -0.016 0.000 1.100 767 I CA 1.381 62.666 61.300 -0.024 0.000 1.374 767 I CB -0.346 37.623 38.000 -0.051 0.000 1.057 767 I HN 0.374 nan 8.210 nan 0.000 0.413 768 E N 0.635 120.815 120.200 -0.033 0.000 2.077 768 E HA -0.225 4.125 4.350 0.001 0.000 0.193 768 E C 1.701 178.302 176.600 0.003 0.000 0.989 768 E CA 1.349 57.737 56.400 -0.019 0.000 0.800 768 E CB -0.061 29.619 29.700 -0.034 0.000 0.746 768 E HN 0.452 nan 8.360 nan 0.000 0.452 769 D N 0.493 120.889 120.400 -0.005 0.000 2.117 769 D HA -0.179 4.461 4.640 0.001 0.000 0.198 769 D C 1.831 178.086 176.300 -0.076 0.000 0.982 769 D CA 1.013 55.006 54.000 -0.011 0.000 0.828 769 D CB -0.208 40.576 40.800 -0.025 0.000 0.967 769 D HN 0.248 nan 8.370 nan 0.000 0.464 770 E N 0.558 120.718 120.200 -0.067 0.000 2.047 770 E HA -0.135 4.215 4.350 0.001 0.000 0.191 770 E C 2.050 178.633 176.600 -0.027 0.000 0.987 770 E CA 0.845 57.181 56.400 -0.106 0.000 0.799 770 E CB 0.096 29.841 29.700 0.075 0.000 0.752 770 E HN -0.021 nan 8.360 nan 0.000 0.449 771 V N 1.453 121.400 119.914 0.056 0.000 2.287 771 V HA -0.298 3.823 4.120 0.001 0.000 0.248 771 V C 2.519 178.655 176.094 0.070 0.000 1.053 771 V CA 1.929 64.279 62.300 0.084 0.000 1.027 771 V CB -0.914 30.937 31.823 0.046 0.000 0.646 771 V HN 0.498 nan 8.190 nan 0.000 0.447 772 A N -0.080 122.773 122.820 0.055 0.000 1.865 772 A HA -0.312 4.008 4.320 0.001 0.000 0.217 772 A C 2.328 179.965 177.584 0.089 0.000 1.191 772 A CA 2.477 54.589 52.037 0.124 0.000 0.623 772 A CB -0.566 18.568 19.000 0.224 0.000 0.826 772 A HN 0.552 nan 8.150 nan 0.000 0.444 773 K N -1.513 118.833 120.400 -0.089 0.000 2.009 773 K HA -0.159 4.162 4.320 0.001 0.000 0.210 773 K C 1.696 178.217 176.600 -0.131 0.000 1.049 773 K CA 1.908 58.053 56.287 -0.237 0.000 0.929 773 K CB -0.380 31.827 32.500 -0.488 0.000 0.714 773 K HN 0.323 nan 8.250 nan 0.000 0.440 774 F N 0.735 120.693 119.950 0.014 0.000 2.102 774 F HA -0.155 4.372 4.527 0.001 0.000 0.298 774 F C 2.313 178.149 175.800 0.060 0.000 1.105 774 F CA 0.770 58.779 58.000 0.016 0.000 1.239 774 F CB -0.885 38.090 39.000 -0.041 0.000 0.991 774 F HN -0.146 nan 8.300 nan 0.000 0.474 775 V N -0.383 119.657 119.914 0.210 0.000 2.343 775 V HA -0.301 3.819 4.120 0.001 0.000 0.247 775 V C 2.410 178.632 176.094 0.213 0.000 1.051 775 V CA 1.509 63.938 62.300 0.215 0.000 1.036 775 V CB -0.482 31.445 31.823 0.174 0.000 0.654 775 V HN 0.236 nan 8.190 nan 0.000 0.451 776 M N -0.891 118.811 119.600 0.169 0.000 2.334 776 M HA -0.013 4.468 4.480 0.001 0.000 0.266 776 M C 2.061 178.417 176.300 0.094 0.000 1.082 776 M CA 1.525 56.904 55.300 0.131 0.000 1.141 776 M CB -0.811 31.890 32.600 0.169 0.000 1.380 776 M HN 0.273 nan 8.290 nan 0.000 0.440 777 K N -0.386 120.077 120.400 0.105 0.000 2.399 777 K HA 0.290 4.610 4.320 0.001 0.000 0.196 777 K C 0.225 176.907 176.600 0.136 0.000 1.103 777 K CA 0.066 56.402 56.287 0.081 0.000 0.986 777 K CB 0.675 33.188 32.500 0.020 0.000 0.952 777 K HN 0.133 nan 8.250 nan 0.000 0.541 778 A N 2.396 125.356 122.820 0.234 0.000 2.440 778 A HA 0.187 4.508 4.320 0.001 0.000 0.251 778 A C -0.437 177.285 177.584 0.229 0.000 1.089 778 A CA 0.119 52.325 52.037 0.282 0.000 0.779 778 A CB 0.135 19.376 19.000 0.401 0.000 1.022 778 A HN 0.479 nan 8.150 nan 0.000 0.492 779 E N 0.000 120.305 120.200 0.174 0.000 2.725 779 E HA 0.000 4.350 4.350 0.001 0.000 0.291 779 E CA 0.000 56.476 56.400 0.127 0.000 0.976 779 E CB 0.000 29.790 29.700 0.150 0.000 0.812 779 E HN 0.000 nan 8.360 nan 0.000 0.440