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 3k6s_1_E DATA FIRST_RESID 1 DATA SEQUENCE FNLDTEELTA FRVDSAGFGD SVVQYANSWV VVGAPQKITA ANQTGGLYQc DATA SEQUENCE GYSTGAcEPI GLQVPPEAVN MSLGLSLAST TSPSQLLAcG PTVHHEcGRN DATA SEQUENCE MYLTGLcFLL GPTQLTQRLP VSRQEcPRXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXSFEL EMAQEGFSAV FTPDGPVLGA DATA SEQUENCE VGSFTWSGGA FLYPPNMSPT FINMSQENVD MRDSYLGYST ELALWKGVQS DATA SEQUENCE LVLGAPRYQH TGKAVIFTQV SRQWRMKAEV TGTQIGSYFG ASLCSVDVDS DATA SEQUENCE DGSTDLVLIG APHYYEQTRG GQVSVcPLPR GWRRWWcDAV LYGEQGHPWG DATA SEQUENCE RFGAALTVLG DVNGDKLTDV VIGAPGEEEN RGAVYLFHGV LGPSISPSHS DATA SEQUENCE QRIAGSQLSS RLQYFGQALS GGQDLTQDGL VDLAVGARGQ VLLLRTRPVL DATA SEQUENCE WVGVSMQFIP AEIPRSAFEc REQVVSEQTL VQSNIcLYID KRSKNLLGSR DATA SEQUENCE DLQSSVTLDL ALDPGRLSPR ATFQETKNRS LSRVRVLGLK AHcENFNLLL DATA SEQUENCE PScVEDSVTP ITLRLNFTLV GKPLLAFRNL RPMLAADAQR YFTASLPFEK DATA SEQUENCE NcGADHIcQD NLGISFSFPG LKSLLVGSNL ELNAEVMVWN DGEDSYGTTI DATA SEQUENCE TFSHPAGLSY RYVAEGQKQG QLRSLHLTcD SAPVGSQGTW STScRINHLI DATA SEQUENCE FRGGAQITFL ATFDVSPKAV LGDRLLLTAN VSSENNTPRT SKTTFQLELP DATA SEQUENCE VKYAVYTVVS SHEQFTKYLN FSESEEKESH VAMHRYQVNN LGQRDLPVSI DATA SEQUENCE NFWVPVELNQ EAVWMDVEVS HPQNPSLRcS SEKIAPPASD FLAHIQKNPV DATA SEQUENCE LDcSIAGcLR FRcDVPSFSV QEELDFTLKG NLSFGWVRQI LQKKVSVVSV DATA SEQUENCE AEITFDTSVY SQLPGQEAFM RAQTTTVLEK YK 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 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.854 175.800 0.090 0.000 0.967 1 F CA 0.000 58.074 58.000 0.123 0.000 1.383 1 F CB 0.000 39.050 39.000 0.083 0.000 1.145 2 N N 2.241 120.908 118.700 -0.054 0.000 2.735 2 N HA 0.353 5.093 4.740 -0.000 0.000 0.312 2 N C -1.215 174.302 175.510 0.011 0.000 1.843 2 N CA -0.088 52.968 53.050 0.009 0.000 0.945 2 N CB 0.862 39.319 38.487 -0.050 0.000 1.299 2 N HN 0.416 nan 8.380 nan 0.000 0.489 3 L N 0.617 121.865 121.223 0.041 0.000 2.276 3 L HA 0.270 4.610 4.340 -0.000 0.000 0.286 3 L C 0.109 177.007 176.870 0.047 0.000 1.024 3 L CA -0.900 53.965 54.840 0.041 0.000 0.826 3 L CB 1.223 43.313 42.059 0.052 0.000 1.211 3 L HN 0.089 nan 8.230 nan 0.000 0.422 4 D N 1.908 122.331 120.400 0.039 0.000 2.493 4 D HA 0.004 4.644 4.640 -0.000 0.000 0.240 4 D C 0.116 176.434 176.300 0.031 0.000 1.142 4 D CA 0.515 54.537 54.000 0.036 0.000 0.872 4 D CB 0.939 41.758 40.800 0.032 0.000 1.173 4 D HN 0.469 nan 8.370 nan 0.000 0.467 5 T N 4.315 118.883 114.554 0.024 0.000 3.448 5 T HA 0.229 4.579 4.350 -0.000 0.000 0.271 5 T C 0.259 174.959 174.700 -0.000 0.000 1.002 5 T CA -0.574 61.532 62.100 0.009 0.000 0.995 5 T CB 0.378 69.250 68.868 0.007 0.000 1.153 5 T HN 0.356 nan 8.240 nan 0.000 0.510 6 E N 0.814 121.016 120.200 0.003 0.000 3.902 6 E HA 0.094 4.444 4.350 -0.000 0.000 0.247 6 E C -0.131 176.465 176.600 -0.007 0.000 1.284 6 E CA 0.079 56.477 56.400 -0.004 0.000 1.773 6 E CB 0.205 29.908 29.700 0.005 0.000 1.684 6 E HN 0.148 nan 8.360 nan 0.000 0.762 7 E N 2.345 122.548 120.200 0.005 0.000 2.026 7 E HA 0.314 4.664 4.350 -0.000 0.000 0.253 7 E C -0.055 176.556 176.600 0.017 0.000 1.056 7 E CA -0.139 56.264 56.400 0.005 0.000 0.927 7 E CB 0.088 29.798 29.700 0.016 0.000 1.172 7 E HN 0.113 nan 8.360 nan 0.000 0.445 8 L N -1.246 119.978 121.223 0.002 0.000 2.257 8 L HA 0.713 5.053 4.340 -0.000 0.000 0.257 8 L C 0.239 177.095 176.870 -0.024 0.000 1.033 8 L CA -1.038 53.809 54.840 0.012 0.000 0.835 8 L CB 0.874 42.938 42.059 0.009 0.000 1.398 8 L HN -0.008 nan 8.230 nan 0.000 0.429 9 T N -1.797 112.736 114.554 -0.035 0.000 2.867 9 T HA 0.899 5.249 4.350 -0.000 0.000 0.282 9 T C -0.291 174.249 174.700 -0.266 0.000 1.000 9 T CA -0.125 61.867 62.100 -0.179 0.000 1.042 9 T CB 1.458 70.218 68.868 -0.181 0.000 0.973 9 T HN 1.140 nan 8.240 nan 0.000 0.465 10 A N 2.404 124.988 122.820 -0.394 0.000 2.375 10 A HA 0.684 5.004 4.320 -0.000 0.000 0.295 10 A C -1.177 176.189 177.584 -0.364 0.000 1.066 10 A CA -0.850 51.021 52.037 -0.276 0.000 0.722 10 A CB 0.614 19.538 19.000 -0.127 0.000 1.206 10 A HN 0.722 nan 8.150 nan 0.000 0.435 11 F N 2.341 122.333 119.950 0.071 0.000 2.308 11 F HA 0.417 4.944 4.527 -0.000 0.000 0.370 11 F C 1.223 177.053 175.800 0.051 0.000 1.100 11 F CA -0.492 57.544 58.000 0.060 0.000 1.108 11 F CB 1.422 40.503 39.000 0.135 0.000 1.293 11 F HN 0.645 nan 8.300 nan 0.000 0.478 12 R N 2.036 122.593 120.500 0.095 0.000 3.256 12 R HA 0.545 4.885 4.340 -0.000 0.000 0.263 12 R C -1.569 174.601 176.300 -0.217 0.000 1.388 12 R CA -0.384 55.704 56.100 -0.021 0.000 1.580 12 R CB 0.129 30.416 30.300 -0.023 0.000 1.255 12 R HN 0.306 nan 8.270 nan 0.000 0.640 13 V N 2.392 121.965 119.914 -0.568 0.000 2.353 13 V HA 0.032 4.152 4.120 -0.000 0.000 0.264 13 V C 0.085 175.697 176.094 -0.804 0.000 1.049 13 V CA -0.492 61.302 62.300 -0.844 0.000 0.896 13 V CB 0.956 31.977 31.823 -1.337 0.000 1.025 13 V HN 0.536 nan 8.190 nan 0.000 0.475 14 D N 3.885 124.059 120.400 -0.375 0.000 2.435 14 D HA 0.151 4.791 4.640 -0.000 0.000 0.230 14 D C 0.247 176.475 176.300 -0.120 0.000 1.215 14 D CA 0.281 54.170 54.000 -0.185 0.000 0.947 14 D CB 0.501 41.241 40.800 -0.100 0.000 1.048 14 D HN 0.474 nan 8.370 nan 0.000 0.512 15 S N 2.258 117.934 115.700 -0.040 0.000 2.327 15 S HA 0.582 5.052 4.470 -0.000 0.000 0.203 15 S C 0.541 175.242 174.600 0.169 0.000 1.326 15 S CA -0.038 58.219 58.200 0.095 0.000 1.248 15 S CB 0.530 63.857 63.200 0.211 0.000 1.199 15 S HN 0.713 nan 8.310 nan 0.000 0.422 16 A N 1.605 124.496 122.820 0.119 0.000 5.090 16 A HA -0.204 4.116 4.320 -0.000 0.000 0.306 16 A C 1.491 179.168 177.584 0.155 0.000 1.990 16 A CA 0.831 52.938 52.037 0.118 0.000 0.714 16 A CB -1.794 17.267 19.000 0.102 0.000 1.281 16 A HN 1.253 nan 8.150 nan 0.000 0.362 17 G N -1.025 107.867 108.800 0.153 0.000 3.374 17 G HA2 0.422 4.382 3.960 -0.000 0.000 0.252 17 G HA3 0.422 4.382 3.960 -0.000 0.000 0.252 17 G C 0.188 175.189 174.900 0.168 0.000 1.326 17 G CA 0.743 45.929 45.100 0.144 0.000 1.133 17 G HN 1.096 nan 8.290 nan 0.000 0.528 18 F N 1.059 121.056 119.950 0.079 0.000 2.496 18 F HA 0.413 4.940 4.527 -0.000 0.000 0.344 18 F C 1.291 177.138 175.800 0.078 0.000 1.155 18 F CA 0.746 58.799 58.000 0.089 0.000 1.302 18 F CB 0.920 39.971 39.000 0.085 0.000 1.159 18 F HN 0.256 nan 8.300 nan 0.000 0.595 19 G N 4.003 112.305 108.800 -0.831 0.000 2.338 19 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.296 19 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.296 19 G C 0.288 175.117 174.900 -0.119 0.000 1.040 19 G CA 0.642 45.485 45.100 -0.428 0.000 1.004 19 G HN 0.870 nan 8.290 nan 0.000 0.509 20 D N -1.001 119.327 120.400 -0.120 0.000 2.454 20 D HA 0.283 4.923 4.640 -0.000 0.000 0.219 20 D C 0.776 177.046 176.300 -0.051 0.000 1.081 20 D CA 1.156 55.142 54.000 -0.024 0.000 0.867 20 D CB 0.623 41.430 40.800 0.012 0.000 1.054 20 D HN 0.434 nan 8.370 nan 0.000 0.500 21 S N -0.056 115.587 115.700 -0.096 0.000 2.566 21 S HA 0.600 5.070 4.470 -0.000 0.000 0.273 21 S C -1.763 172.780 174.600 -0.095 0.000 1.157 21 S CA -0.586 57.562 58.200 -0.086 0.000 0.938 21 S CB 1.237 64.383 63.200 -0.091 0.000 1.087 21 S HN -0.065 nan 8.310 nan 0.000 0.474 22 V N 4.759 124.635 119.914 -0.063 0.000 3.078 22 V HA 0.996 5.116 4.120 -0.000 0.000 0.311 22 V C -1.313 174.780 176.094 -0.002 0.000 1.138 22 V CA -0.260 62.015 62.300 -0.042 0.000 1.007 22 V CB 2.054 33.857 31.823 -0.034 0.000 1.045 22 V HN 0.974 nan 8.190 nan 0.000 0.432 23 V N 3.869 123.799 119.914 0.027 0.000 3.120 23 V HA 0.531 4.651 4.120 -0.000 0.000 0.303 23 V C -1.228 174.925 176.094 0.097 0.000 1.238 23 V CA -0.606 61.729 62.300 0.058 0.000 1.008 23 V CB 2.596 34.461 31.823 0.069 0.000 1.064 23 V HN 0.958 nan 8.190 nan 0.000 0.434 24 Q N 3.613 123.471 119.800 0.098 0.000 2.296 24 Q HA 0.214 4.554 4.340 -0.000 0.000 0.263 24 Q C -0.982 175.122 176.000 0.172 0.000 1.026 24 Q CA 0.150 56.026 55.803 0.122 0.000 0.912 24 Q CB 1.151 29.934 28.738 0.075 0.000 1.198 24 Q HN 0.691 nan 8.270 nan 0.000 0.407 25 Y N 1.735 122.076 120.300 0.069 0.000 2.356 25 Y HA 0.376 4.926 4.550 -0.000 0.000 0.341 25 Y C 0.108 176.047 175.900 0.066 0.000 1.343 25 Y CA -1.140 56.997 58.100 0.062 0.000 1.570 25 Y CB 0.455 38.977 38.460 0.104 0.000 1.558 25 Y HN 0.679 nan 8.280 nan 0.000 0.557 26 A N 2.905 125.259 122.820 -0.777 0.000 2.600 26 A HA -0.138 4.182 4.320 -0.000 0.000 0.244 26 A C 1.171 178.677 177.584 -0.131 0.000 1.016 26 A CA 0.448 52.169 52.037 -0.526 0.000 0.778 26 A CB -0.499 18.046 19.000 -0.759 0.000 0.920 26 A HN 0.891 nan 8.150 nan 0.000 0.513 27 N N 1.973 120.636 118.700 -0.061 0.000 2.202 27 N HA -0.190 4.550 4.740 -0.000 0.000 0.197 27 N C 1.696 177.239 175.510 0.055 0.000 0.995 27 N CA 2.020 55.073 53.050 0.006 0.000 0.894 27 N CB -0.377 38.102 38.487 -0.015 0.000 1.010 27 N HN 0.682 nan 8.380 nan 0.000 0.453 28 S N -1.084 114.678 115.700 0.104 0.000 2.474 28 S HA -0.028 4.442 4.470 -0.000 0.000 0.235 28 S C 0.112 174.663 174.600 -0.081 0.000 0.997 28 S CA 0.644 58.874 58.200 0.049 0.000 0.949 28 S CB 0.056 63.350 63.200 0.157 0.000 0.766 28 S HN 0.385 nan 8.310 nan 0.000 0.517 29 W N -1.141 120.248 121.300 0.147 0.000 3.032 29 W HA 0.689 5.349 4.660 -0.000 0.000 0.341 29 W C -0.979 175.657 176.519 0.196 0.000 1.202 29 W CA -0.739 56.725 57.345 0.198 0.000 1.132 29 W CB 1.000 30.636 29.460 0.293 0.000 1.465 29 W HN -0.307 nan 8.180 nan 0.000 0.576 30 V N 2.375 122.527 119.914 0.396 0.000 2.577 30 V HA 0.705 4.825 4.120 -0.000 0.000 0.303 30 V C -1.580 174.616 176.094 0.170 0.000 1.042 30 V CA -0.932 61.519 62.300 0.252 0.000 0.872 30 V CB 1.661 33.601 31.823 0.195 0.000 0.998 30 V HN 0.345 nan 8.190 nan 0.000 0.423 31 V N 7.421 127.396 119.914 0.102 0.000 2.394 31 V HA 0.573 4.693 4.120 -0.000 0.000 0.282 31 V C 0.082 176.168 176.094 -0.014 0.000 1.031 31 V CA -0.182 62.121 62.300 0.006 0.000 0.881 31 V CB 1.742 33.509 31.823 -0.092 0.000 0.982 31 V HN 0.878 nan 8.190 nan 0.000 0.451 32 V N 2.366 122.257 119.914 -0.039 0.000 2.994 32 V HA 1.049 5.168 4.120 -0.000 0.000 0.318 32 V C 0.316 176.321 176.094 -0.148 0.000 1.085 32 V CA -0.534 61.673 62.300 -0.156 0.000 0.998 32 V CB 1.755 33.353 31.823 -0.374 0.000 1.063 32 V HN 0.885 nan 8.190 nan 0.000 0.447 33 G N 0.326 109.003 108.800 -0.205 0.000 2.495 33 G HA2 0.754 4.714 3.960 -0.000 0.000 0.318 33 G HA3 0.754 4.714 3.960 -0.000 0.000 0.318 33 G C -0.539 174.297 174.900 -0.107 0.000 1.257 33 G CA -0.405 44.622 45.100 -0.121 0.000 0.962 33 G HN 1.665 nan 8.290 nan 0.000 0.483 34 A N 3.667 126.486 122.820 -0.001 0.000 3.082 34 A HA 0.673 4.992 4.320 -0.000 0.000 0.328 34 A C -1.756 175.862 177.584 0.057 0.000 1.089 34 A CA -1.149 50.937 52.037 0.082 0.000 0.802 34 A CB 1.395 20.546 19.000 0.253 0.000 1.138 34 A HN 0.368 nan 8.150 nan 0.000 0.474 35 P HA -0.177 nan 4.420 nan 0.000 0.216 35 P C 0.703 178.031 177.300 0.048 0.000 1.150 35 P CA 1.438 64.557 63.100 0.031 0.000 0.843 35 P CB 0.257 31.971 31.700 0.023 0.000 0.787 36 Q N -0.858 118.979 119.800 0.063 0.000 2.242 36 Q HA 0.111 4.451 4.340 -0.000 0.000 0.246 36 Q C 0.315 176.358 176.000 0.072 0.000 0.883 36 Q CA 0.121 55.963 55.803 0.065 0.000 0.984 36 Q CB -0.402 28.378 28.738 0.070 0.000 1.096 36 Q HN 0.141 nan 8.270 nan 0.000 0.452 37 K N 1.562 122.005 120.400 0.072 0.000 2.222 37 K HA 0.174 4.494 4.320 -0.000 0.000 0.243 37 K C -0.631 175.994 176.600 0.042 0.000 1.160 37 K CA -0.266 56.066 56.287 0.075 0.000 1.090 37 K CB -0.199 32.358 32.500 0.096 0.000 1.694 37 K HN 0.279 nan 8.250 nan 0.000 0.361 38 I N 3.331 123.924 120.570 0.039 0.000 3.089 38 I HA -0.192 3.978 4.170 -0.000 0.000 0.321 38 I C 0.368 176.493 176.117 0.014 0.000 1.222 38 I CA 1.078 62.392 61.300 0.024 0.000 1.452 38 I CB -0.050 37.963 38.000 0.022 0.000 1.321 38 I HN 0.556 nan 8.210 nan 0.000 0.539 39 T N 3.590 118.147 114.554 0.005 0.000 3.011 39 T HA 0.713 5.063 4.350 -0.000 0.000 0.303 39 T C -0.028 174.669 174.700 -0.005 0.000 0.997 39 T CA -0.108 61.990 62.100 -0.005 0.000 1.007 39 T CB 1.866 70.723 68.868 -0.018 0.000 1.017 39 T HN 1.264 nan 8.240 nan 0.000 0.443 40 A N 2.473 125.290 122.820 -0.005 0.000 5.691 40 A HA 0.256 4.576 4.320 -0.000 0.000 0.271 40 A C 0.745 178.326 177.584 -0.005 0.000 2.133 40 A CA 0.105 52.139 52.037 -0.005 0.000 0.713 40 A CB -1.691 17.305 19.000 -0.006 0.000 1.115 40 A HN 2.560 nan 8.150 nan 0.000 0.356 41 A N 0.229 123.045 122.820 -0.006 0.000 2.391 41 A HA 0.522 4.842 4.320 -0.000 0.000 0.316 41 A C 0.607 178.180 177.584 -0.017 0.000 1.381 41 A CA 0.492 52.523 52.037 -0.011 0.000 0.998 41 A CB -0.811 18.183 19.000 -0.011 0.000 1.147 41 A HN 1.671 nan 8.150 nan 0.000 0.545 42 N N 1.214 119.902 118.700 -0.020 0.000 2.698 42 N HA -0.209 4.531 4.740 -0.000 0.000 0.258 42 N C 0.364 175.859 175.510 -0.024 0.000 0.978 42 N CA 1.584 54.616 53.050 -0.031 0.000 0.777 42 N CB -0.588 37.861 38.487 -0.063 0.000 0.907 42 N HN 0.948 nan 8.380 nan 0.000 0.543 43 Q N -0.695 119.104 119.800 -0.001 0.000 3.071 43 Q HA 0.295 4.634 4.340 -0.000 0.000 0.204 43 Q C 1.050 177.070 176.000 0.034 0.000 1.165 43 Q CA 0.013 55.828 55.803 0.019 0.000 0.372 43 Q CB 0.422 29.169 28.738 0.016 0.000 5.650 43 Q HN 0.419 nan 8.270 nan 0.000 0.309 44 T N -2.587 111.986 114.554 0.031 0.000 2.833 44 T HA 0.485 4.834 4.350 -0.000 0.000 0.312 44 T C 0.776 175.486 174.700 0.017 0.000 1.085 44 T CA -0.090 62.030 62.100 0.033 0.000 0.955 44 T CB 0.556 69.437 68.868 0.021 0.000 1.353 44 T HN 0.635 nan 8.240 nan 0.000 0.544 45 G N -1.157 107.646 108.800 0.005 0.000 2.478 45 G HA2 0.623 4.582 3.960 -0.000 0.000 0.211 45 G HA3 0.623 4.582 3.960 -0.000 0.000 0.211 45 G C 0.510 175.383 174.900 -0.045 0.000 1.726 45 G CA -0.013 45.087 45.100 0.001 0.000 0.725 45 G HN 1.621 nan 8.290 nan 0.000 0.654 46 G N -1.248 107.502 108.800 -0.083 0.000 2.317 46 G HA2 0.357 4.317 3.960 -0.000 0.000 0.445 46 G HA3 0.357 4.317 3.960 -0.000 0.000 0.445 46 G C -1.386 173.383 174.900 -0.219 0.000 1.486 46 G CA -0.731 44.256 45.100 -0.188 0.000 0.991 46 G HN 0.554 nan 8.290 nan 0.000 0.660 47 L N -0.390 120.640 121.223 -0.321 0.000 2.313 47 L HA 0.825 5.165 4.340 -0.000 0.000 0.268 47 L C -0.904 175.721 176.870 -0.407 0.000 1.010 47 L CA -1.197 53.486 54.840 -0.260 0.000 0.814 47 L CB 2.081 44.016 42.059 -0.207 0.000 1.304 47 L HN 0.578 nan 8.230 nan 0.000 0.441 48 Y N 0.031 120.321 120.300 -0.017 0.000 2.396 48 Y HA 0.290 4.840 4.550 -0.000 0.000 0.332 48 Y C -0.525 175.361 175.900 -0.023 0.000 1.034 48 Y CA -0.922 57.188 58.100 0.018 0.000 1.057 48 Y CB 2.092 40.656 38.460 0.174 0.000 1.220 48 Y HN 0.457 nan 8.280 nan 0.000 0.440 49 Q N 2.009 121.890 119.800 0.135 0.000 2.256 49 Q HA 0.792 5.131 4.340 -0.000 0.000 0.257 49 Q C -1.318 174.851 176.000 0.283 0.000 0.936 49 Q CA -0.578 55.300 55.803 0.126 0.000 0.903 49 Q CB 1.607 30.267 28.738 -0.130 0.000 1.263 49 Q HN 0.618 nan 8.270 nan 0.000 0.440 50 c N 2.494 121.248 118.600 0.257 0.000 2.498 50 c HA 0.876 5.446 4.570 -0.000 0.000 0.316 50 c C 0.448 174.509 174.090 -0.047 0.000 1.209 50 c CA -0.481 55.785 56.329 -0.105 0.000 1.518 50 c CB 1.171 43.126 42.510 -0.924 0.000 2.147 50 c HN 1.014 nan 8.230 nan 0.000 0.483 51 G N 0.155 108.803 108.800 -0.255 0.000 2.441 51 G HA2 0.469 4.429 3.960 -0.000 0.000 0.334 51 G HA3 0.469 4.429 3.960 -0.000 0.000 0.334 51 G C -0.228 174.678 174.900 0.011 0.000 1.161 51 G CA -0.167 44.654 45.100 -0.464 0.000 0.935 51 G HN 0.792 nan 8.290 nan 0.000 0.488 52 Y N 0.918 121.160 120.300 -0.096 0.000 2.243 52 Y HA -0.033 4.517 4.550 -0.000 0.000 0.293 52 Y C 2.870 178.763 175.900 -0.012 0.000 1.124 52 Y CA 2.067 60.184 58.100 0.027 0.000 1.159 52 Y CB -0.094 38.358 38.460 -0.013 0.000 1.008 52 Y HN 0.455 nan 8.280 nan 0.000 0.527 53 S N -0.235 115.410 115.700 -0.091 0.000 2.401 53 S HA -0.247 4.223 4.470 -0.000 0.000 0.236 53 S C 0.895 175.368 174.600 -0.211 0.000 1.058 53 S CA 2.001 60.111 58.200 -0.151 0.000 1.151 53 S CB -1.216 61.936 63.200 -0.080 0.000 1.049 53 S HN 0.666 nan 8.310 nan 0.000 0.432 54 T N -0.342 114.138 114.554 -0.123 0.000 2.779 54 T HA 0.619 4.969 4.350 -0.000 0.000 0.280 54 T C 0.089 174.796 174.700 0.013 0.000 0.987 54 T CA -0.476 61.578 62.100 -0.076 0.000 0.966 54 T CB 1.737 70.588 68.868 -0.028 0.000 0.933 54 T HN 0.239 nan 8.240 nan 0.000 0.442 55 G N 1.858 110.650 108.800 -0.013 0.000 2.852 55 G HA2 0.513 4.473 3.960 -0.000 0.000 0.280 55 G HA3 0.513 4.473 3.960 -0.000 0.000 0.280 55 G C 0.043 175.102 174.900 0.266 0.000 0.731 55 G CA -0.196 44.967 45.100 0.106 0.000 2.037 55 G HN 1.256 nan 8.290 nan 0.000 0.560 56 A N 0.839 123.902 122.820 0.405 0.000 2.605 56 A HA 0.605 4.925 4.320 -0.000 0.000 0.294 56 A C -0.832 176.760 177.584 0.014 0.000 1.062 56 A CA -0.593 51.552 52.037 0.181 0.000 0.682 56 A CB 0.985 20.031 19.000 0.076 0.000 1.278 56 A HN 0.622 nan 8.150 nan 0.000 0.410 57 c N 1.790 120.344 118.600 -0.077 0.000 2.322 57 c HA 0.732 5.302 4.570 -0.000 0.000 0.324 57 c C -0.208 173.878 174.090 -0.007 0.000 1.284 57 c CA -0.646 55.605 56.329 -0.131 0.000 1.606 57 c CB 0.717 43.061 42.510 -0.277 0.000 2.251 57 c HN 0.758 nan 8.230 nan 0.000 0.502 58 E N 3.188 123.471 120.200 0.139 0.000 2.175 58 E HA 0.363 4.712 4.350 -0.000 0.000 0.278 58 E C -2.342 174.436 176.600 0.297 0.000 0.969 58 E CA -1.969 54.540 56.400 0.181 0.000 0.796 58 E CB 1.129 30.921 29.700 0.154 0.000 1.104 58 E HN 0.399 nan 8.360 nan 0.000 0.395 59 P HA 0.073 nan 4.420 nan 0.000 0.268 59 P C -0.171 177.093 177.300 -0.060 0.000 1.208 59 P CA 0.154 63.314 63.100 0.100 0.000 0.777 59 P CB 0.598 32.334 31.700 0.061 0.000 0.875 60 I N 0.974 121.423 120.570 -0.202 0.000 2.404 60 I HA 0.479 4.649 4.170 -0.000 0.000 0.293 60 I C 0.434 176.425 176.117 -0.209 0.000 0.992 60 I CA -0.697 60.481 61.300 -0.204 0.000 1.149 60 I CB 1.250 39.102 38.000 -0.247 0.000 1.315 60 I HN 0.340 nan 8.210 nan 0.000 0.446 61 G N 7.868 116.564 108.800 -0.173 0.000 2.365 61 G HA2 0.442 4.402 3.960 -0.000 0.000 0.249 61 G HA3 0.442 4.402 3.960 -0.000 0.000 0.249 61 G C -0.927 173.854 174.900 -0.198 0.000 1.288 61 G CA -0.207 44.798 45.100 -0.158 0.000 0.887 61 G HN 0.575 nan 8.290 nan 0.000 0.524 62 L N 1.398 122.497 121.223 -0.208 0.000 2.482 62 L HA 0.265 4.605 4.340 -0.000 0.000 0.263 62 L C -0.817 175.928 176.870 -0.209 0.000 0.957 62 L CA -0.905 53.770 54.840 -0.275 0.000 0.836 62 L CB 2.645 44.459 42.059 -0.408 0.000 1.324 62 L HN 0.410 nan 8.230 nan 0.000 0.406 63 Q N 2.295 121.986 119.800 -0.182 0.000 2.810 63 Q HA 0.276 4.616 4.340 -0.000 0.000 0.236 63 Q C -0.642 175.320 176.000 -0.065 0.000 1.278 63 Q CA -0.187 55.559 55.803 -0.094 0.000 1.065 63 Q CB 0.793 29.504 28.738 -0.044 0.000 1.364 63 Q HN 0.301 nan 8.270 nan 0.000 0.570 64 V N 3.712 123.575 119.914 -0.085 0.000 2.421 64 V HA 0.135 4.255 4.120 -0.000 0.000 0.271 64 V C -1.843 174.271 176.094 0.033 0.000 1.031 64 V CA -1.430 60.861 62.300 -0.015 0.000 1.032 64 V CB -0.150 31.648 31.823 -0.041 0.000 1.009 64 V HN 0.515 nan 8.190 nan 0.000 0.477 65 P HA 0.201 nan 4.420 nan 0.000 0.268 65 P C -2.026 175.298 177.300 0.040 0.000 1.205 65 P CA -1.389 61.740 63.100 0.050 0.000 0.771 65 P CB 0.155 31.888 31.700 0.054 0.000 0.858 66 P HA -0.181 nan 4.420 nan 0.000 0.219 66 P C 1.222 178.542 177.300 0.033 0.000 1.146 66 P CA 1.325 64.439 63.100 0.024 0.000 0.808 66 P CB 0.056 31.765 31.700 0.015 0.000 0.779 67 E N 0.298 120.517 120.200 0.032 0.000 2.038 67 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 67 E C 1.127 177.761 176.600 0.055 0.000 1.000 67 E CA 0.903 57.324 56.400 0.035 0.000 0.803 67 E CB -1.108 28.599 29.700 0.011 0.000 0.750 67 E HN 0.145 nan 8.360 nan 0.000 0.448 68 A N 2.382 125.235 122.820 0.055 0.000 2.438 68 A HA 0.310 4.630 4.320 -0.000 0.000 0.280 68 A C 0.040 177.680 177.584 0.093 0.000 1.160 68 A CA -0.055 52.027 52.037 0.075 0.000 0.821 68 A CB 0.154 19.202 19.000 0.081 0.000 1.101 68 A HN -0.031 nan 8.150 nan 0.000 0.515 69 V N 3.020 123.009 119.914 0.124 0.000 2.864 69 V HA 0.323 4.443 4.120 -0.000 0.000 0.314 69 V C 0.931 177.142 176.094 0.196 0.000 1.073 69 V CA -0.558 61.815 62.300 0.121 0.000 0.956 69 V CB 1.608 33.488 31.823 0.096 0.000 1.023 69 V HN 1.048 nan 8.190 nan 0.000 0.435 70 N N 2.218 120.983 118.700 0.107 0.000 2.696 70 N HA -0.252 4.488 4.740 -0.000 0.000 0.254 70 N C 0.883 176.543 175.510 0.249 0.000 0.988 70 N CA 1.525 54.644 53.050 0.115 0.000 0.775 70 N CB -0.400 38.011 38.487 -0.125 0.000 0.933 70 N HN 0.854 nan 8.380 nan 0.000 0.539 71 M N -2.236 117.469 119.600 0.174 0.000 2.514 71 M HA 0.165 4.645 4.480 -0.000 0.000 0.258 71 M C 0.274 176.636 176.300 0.103 0.000 1.119 71 M CA 0.630 56.011 55.300 0.136 0.000 1.111 71 M CB 0.165 32.830 32.600 0.107 0.000 1.390 71 M HN 0.052 nan 8.290 nan 0.000 0.475 72 S N 3.003 118.758 115.700 0.091 0.000 3.242 72 S HA -0.083 4.387 4.470 -0.000 0.000 0.357 72 S C 0.114 174.745 174.600 0.052 0.000 0.897 72 S CA 0.541 58.780 58.200 0.065 0.000 1.349 72 S CB -2.236 61.005 63.200 0.068 0.000 0.981 72 S HN 0.669 nan 8.310 nan 0.000 0.558 73 L N -0.783 120.473 121.223 0.055 0.000 2.476 73 L HA 0.808 5.148 4.340 -0.000 0.000 0.255 73 L C 1.501 178.380 176.870 0.014 0.000 1.218 73 L CA 0.704 55.580 54.840 0.061 0.000 0.819 73 L CB -0.173 41.959 42.059 0.121 0.000 1.119 73 L HN 0.683 nan 8.230 nan 0.000 0.485 74 G N -0.131 108.672 108.800 0.004 0.000 2.268 74 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.240 74 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.240 74 G C 0.655 175.522 174.900 -0.055 0.000 1.010 74 G CA 0.490 45.572 45.100 -0.030 0.000 0.618 74 G HN 0.966 nan 8.290 nan 0.000 0.516 75 L N 1.636 122.825 121.223 -0.058 0.000 2.043 75 L HA 0.349 4.689 4.340 -0.000 0.000 0.212 75 L C 1.413 178.177 176.870 -0.176 0.000 1.075 75 L CA 2.833 57.610 54.840 -0.106 0.000 0.752 75 L CB -0.252 41.746 42.059 -0.102 0.000 0.891 75 L HN 0.550 nan 8.230 nan 0.000 0.432 76 S N -0.893 114.709 115.700 -0.163 0.000 2.478 76 S HA 0.656 5.126 4.470 -0.000 0.000 0.312 76 S C -0.749 173.799 174.600 -0.088 0.000 1.094 76 S CA -0.811 57.279 58.200 -0.184 0.000 1.081 76 S CB 0.516 63.577 63.200 -0.231 0.000 1.007 76 S HN 0.188 nan 8.310 nan 0.000 0.475 77 L N 2.956 124.141 121.223 -0.063 0.000 2.327 77 L HA 1.001 5.341 4.340 -0.000 0.000 0.258 77 L C -0.533 176.367 176.870 0.050 0.000 1.024 77 L CA -0.912 53.927 54.840 -0.000 0.000 0.825 77 L CB 2.200 44.256 42.059 -0.004 0.000 1.386 77 L HN 0.809 nan 8.230 nan 0.000 0.417 78 A N 0.915 123.818 122.820 0.138 0.000 2.583 78 A HA 0.648 4.968 4.320 -0.000 0.000 0.298 78 A C -1.437 176.419 177.584 0.453 0.000 1.055 78 A CA -0.360 51.837 52.037 0.266 0.000 0.714 78 A CB 1.853 21.009 19.000 0.261 0.000 1.277 78 A HN 0.463 nan 8.150 nan 0.000 0.406 79 S N 0.076 115.944 115.700 0.280 0.000 2.549 79 S HA 0.865 5.335 4.470 -0.000 0.000 0.280 79 S C -0.405 173.902 174.600 -0.488 0.000 1.109 79 S CA 0.294 58.465 58.200 -0.049 0.000 0.905 79 S CB 1.938 65.175 63.200 0.062 0.000 1.081 79 S HN 1.649 nan 8.310 nan 0.000 0.477 80 T N 0.468 114.425 114.554 -0.994 0.000 2.940 80 T HA 0.640 4.990 4.350 -0.000 0.000 0.288 80 T C 1.047 175.517 174.700 -0.382 0.000 1.045 80 T CA 0.233 61.873 62.100 -0.768 0.000 1.018 80 T CB 1.338 69.554 68.868 -1.087 0.000 1.151 80 T HN 0.854 nan 8.240 nan 0.000 0.529 81 T N -1.204 113.210 114.554 -0.232 0.000 2.964 81 T HA 0.195 4.545 4.350 -0.000 0.000 0.249 81 T C 1.863 176.498 174.700 -0.108 0.000 1.000 81 T CA 0.672 62.682 62.100 -0.149 0.000 0.992 81 T CB -0.409 68.402 68.868 -0.095 0.000 1.087 81 T HN 0.456 nan 8.240 nan 0.000 0.489 82 S N 3.377 119.024 115.700 -0.088 0.000 2.506 82 S HA -0.058 4.411 4.470 -0.000 0.000 0.312 82 S C -1.607 172.966 174.600 -0.045 0.000 1.079 82 S CA 1.082 59.256 58.200 -0.044 0.000 1.755 82 S CB -1.619 61.572 63.200 -0.015 0.000 1.371 82 S HN 0.492 nan 8.310 nan 0.000 0.430 83 P HA 0.331 nan 4.420 nan 0.000 0.288 83 P C -0.984 176.264 177.300 -0.087 0.000 1.267 83 P CA -0.359 62.714 63.100 -0.045 0.000 0.815 83 P CB 0.935 32.627 31.700 -0.013 0.000 0.989 84 S N 2.718 118.351 115.700 -0.112 0.000 2.509 84 S HA 0.152 4.622 4.470 -0.000 0.000 0.287 84 S C -0.173 174.351 174.600 -0.127 0.000 1.248 84 S CA -0.255 57.837 58.200 -0.179 0.000 1.089 84 S CB -0.320 62.732 63.200 -0.246 0.000 0.900 84 S HN 0.415 nan 8.310 nan 0.000 0.496 85 Q N 1.541 121.262 119.800 -0.132 0.000 2.501 85 Q HA 0.715 5.055 4.340 -0.000 0.000 0.288 85 Q C -1.288 174.788 176.000 0.126 0.000 1.051 85 Q CA -0.913 54.917 55.803 0.046 0.000 0.788 85 Q CB 2.372 31.186 28.738 0.127 0.000 1.469 85 Q HN 0.751 nan 8.270 nan 0.000 0.416 86 L N 1.013 122.434 121.223 0.331 0.000 2.327 86 L HA 0.750 5.090 4.340 -0.000 0.000 0.258 86 L C -2.066 175.010 176.870 0.342 0.000 1.024 86 L CA -1.042 54.002 54.840 0.340 0.000 0.825 86 L CB 2.242 44.429 42.059 0.213 0.000 1.386 86 L HN 0.598 nan 8.230 nan 0.000 0.417 87 L N 2.859 124.260 121.223 0.297 0.000 2.516 87 L HA 0.858 5.197 4.340 -0.000 0.000 0.267 87 L C -1.183 175.748 176.870 0.101 0.000 0.957 87 L CA 0.020 54.967 54.840 0.179 0.000 0.860 87 L CB 1.540 43.662 42.059 0.104 0.000 1.265 87 L HN 0.703 nan 8.230 nan 0.000 0.403 88 A N 3.457 126.335 122.820 0.095 0.000 2.350 88 A HA 0.959 5.278 4.320 -0.000 0.000 0.318 88 A C -1.158 176.478 177.584 0.086 0.000 1.132 88 A CA -0.461 51.627 52.037 0.085 0.000 0.811 88 A CB 1.603 20.659 19.000 0.093 0.000 1.313 88 A HN 0.768 nan 8.150 nan 0.000 0.454 89 c N -0.527 118.104 118.600 0.051 0.000 2.880 89 c HA 0.698 5.268 4.570 -0.000 0.000 0.320 89 c C 0.534 174.640 174.090 0.027 0.000 1.176 89 c CA -0.459 55.868 56.329 -0.002 0.000 1.390 89 c CB 1.590 44.068 42.510 -0.053 0.000 1.846 89 c HN 1.195 nan 8.230 nan 0.000 0.478 90 G N 2.359 111.173 108.800 0.023 0.000 3.005 90 G HA2 0.486 4.446 3.960 -0.000 0.000 0.342 90 G HA3 0.486 4.446 3.960 -0.000 0.000 0.342 90 G C -2.329 172.578 174.900 0.013 0.000 1.101 90 G CA -0.914 44.210 45.100 0.040 0.000 1.225 90 G HN 0.561 nan 8.290 nan 0.000 0.462 91 P HA 0.109 nan 4.420 nan 0.000 0.269 91 P C 0.762 178.098 177.300 0.060 0.000 1.461 91 P CA 0.524 63.660 63.100 0.059 0.000 0.809 91 P CB 0.252 32.035 31.700 0.138 0.000 1.503 92 T N -5.431 109.143 114.554 0.032 0.000 3.714 92 T HA 0.173 4.523 4.350 -0.000 0.000 0.309 92 T C 0.147 174.801 174.700 -0.076 0.000 0.958 92 T CA -0.317 61.777 62.100 -0.010 0.000 1.010 92 T CB -0.812 68.118 68.868 0.103 0.000 1.202 92 T HN -0.276 nan 8.240 nan 0.000 0.476 93 V N 2.538 122.430 119.914 -0.038 0.000 2.788 93 V HA 0.167 4.287 4.120 -0.000 0.000 0.307 93 V C 0.046 176.092 176.094 -0.080 0.000 1.069 93 V CA 0.258 62.573 62.300 0.024 0.000 1.173 93 V CB -0.316 31.521 31.823 0.024 0.000 0.925 93 V HN 0.631 nan 8.190 nan 0.000 0.492 94 H N 2.780 121.903 119.070 0.089 0.000 2.638 94 H HA 0.548 5.103 4.556 -0.000 0.000 0.317 94 H C -0.239 175.151 175.328 0.102 0.000 1.006 94 H CA -0.540 55.546 56.048 0.063 0.000 1.222 94 H CB 0.730 30.503 29.762 0.019 0.000 1.419 94 H HN 0.923 nan 8.280 nan 0.000 0.489 95 H N 0.156 119.291 119.070 0.108 0.000 2.539 95 H HA 0.311 4.867 4.556 -0.000 0.000 0.332 95 H C -0.653 174.725 175.328 0.084 0.000 1.031 95 H CA -1.167 54.931 56.048 0.083 0.000 1.206 95 H CB 0.995 30.792 29.762 0.058 0.000 1.446 95 H HN 0.605 nan 8.280 nan 0.000 0.496 96 E N 2.919 123.153 120.200 0.057 0.000 2.070 96 E HA 0.164 4.514 4.350 -0.000 0.000 0.282 96 E C -0.447 176.177 176.600 0.040 0.000 1.104 96 E CA -0.627 55.771 56.400 -0.003 0.000 0.876 96 E CB 0.515 30.223 29.700 0.013 0.000 1.055 96 E HN 0.637 nan 8.360 nan 0.000 0.401 97 c N 3.889 122.499 118.600 0.016 0.000 2.614 97 c HA 0.378 4.948 4.570 -0.000 0.000 0.299 97 c C 1.416 175.536 174.090 0.049 0.000 1.293 97 c CA 0.297 56.680 56.329 0.090 0.000 1.713 97 c CB -1.507 41.116 42.510 0.187 0.000 1.890 97 c HN 1.102 nan 8.230 nan 0.000 0.602 98 G N 2.553 111.360 108.800 0.012 0.000 3.298 98 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.260 98 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.260 98 G C 1.179 176.069 174.900 -0.016 0.000 1.681 98 G CA 0.323 45.425 45.100 0.004 0.000 1.094 98 G HN 0.405 nan 8.290 nan 0.000 0.575 99 R N 1.727 122.223 120.500 -0.006 0.000 2.112 99 R HA -0.120 4.220 4.340 -0.000 0.000 0.242 99 R C 0.695 176.961 176.300 -0.056 0.000 1.137 99 R CA 2.238 58.329 56.100 -0.015 0.000 0.944 99 R CB -0.812 29.492 30.300 0.008 0.000 0.857 99 R HN 1.079 nan 8.270 nan 0.000 0.435 100 N N 0.396 119.029 118.700 -0.112 0.000 2.371 100 N HA 0.225 4.965 4.740 -0.000 0.000 0.280 100 N C -0.615 174.586 175.510 -0.515 0.000 1.084 100 N CA -1.037 51.858 53.050 -0.259 0.000 0.892 100 N CB 1.251 39.584 38.487 -0.257 0.000 1.653 100 N HN 0.299 nan 8.380 nan 0.000 0.480 101 M N -0.321 118.995 119.600 -0.473 0.000 2.245 101 M HA 0.636 5.115 4.480 -0.000 0.000 0.292 101 M C -0.986 174.829 176.300 -0.808 0.000 1.176 101 M CA -0.154 54.838 55.300 -0.513 0.000 1.035 101 M CB 0.725 33.206 32.600 -0.200 0.000 1.440 101 M HN 0.519 nan 8.290 nan 0.000 0.494 102 Y N -0.795 119.317 120.300 -0.314 0.000 2.974 102 Y HA 0.742 5.292 4.550 -0.000 0.000 0.310 102 Y C -1.068 174.702 175.900 -0.217 0.000 1.526 102 Y CA -1.092 56.883 58.100 -0.207 0.000 1.087 102 Y CB 1.458 39.832 38.460 -0.143 0.000 1.404 102 Y HN 0.529 nan 8.280 nan 0.000 0.491 103 L N 0.368 121.630 121.223 0.066 0.000 2.404 103 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 103 L C 0.250 177.124 176.870 0.007 0.000 0.980 103 L CA -0.204 54.604 54.840 -0.054 0.000 0.836 103 L CB 2.078 44.071 42.059 -0.109 0.000 1.238 103 L HN 0.836 nan 8.230 nan 0.000 0.408 104 T N 1.025 115.592 114.554 0.021 0.000 3.056 104 T HA 0.435 4.785 4.350 -0.000 0.000 0.243 104 T C 0.638 175.283 174.700 -0.092 0.000 0.995 104 T CA 0.629 62.703 62.100 -0.043 0.000 1.091 104 T CB 0.238 69.061 68.868 -0.075 0.000 0.990 104 T HN 0.951 nan 8.240 nan 0.000 0.464 105 G N 1.034 109.790 108.800 -0.072 0.000 2.785 105 G HA2 0.180 4.140 3.960 -0.000 0.000 0.686 105 G HA3 0.180 4.140 3.960 -0.000 0.000 0.686 105 G C -1.316 173.497 174.900 -0.145 0.000 1.155 105 G CA -0.309 44.741 45.100 -0.084 0.000 0.760 105 G HN 0.985 nan 8.290 nan 0.000 0.624 106 L N 1.895 123.012 121.223 -0.177 0.000 2.543 106 L HA 0.797 5.137 4.340 -0.000 0.000 0.265 106 L C -0.088 176.485 176.870 -0.496 0.000 0.945 106 L CA -0.609 54.036 54.840 -0.325 0.000 0.869 106 L CB 1.639 43.520 42.059 -0.297 0.000 1.294 106 L HN 1.053 nan 8.230 nan 0.000 0.405 107 c N 3.046 121.275 118.600 -0.618 0.000 2.630 107 c HA 0.796 5.366 4.570 -0.000 0.000 0.346 107 c C -0.895 172.651 174.090 -0.907 0.000 1.245 107 c CA -0.655 55.312 56.329 -0.604 0.000 1.804 107 c CB 1.659 43.988 42.510 -0.301 0.000 2.279 107 c HN 0.689 nan 8.230 nan 0.000 0.498 108 F N 0.885 120.780 119.950 -0.092 0.000 2.561 108 F HA 0.608 5.135 4.527 -0.000 0.000 0.313 108 F C -0.340 175.425 175.800 -0.057 0.000 1.126 108 F CA -0.631 57.320 58.000 -0.081 0.000 0.918 108 F CB 0.812 39.766 39.000 -0.077 0.000 1.199 108 F HN 0.120 nan 8.300 nan 0.000 0.444 109 L N 4.714 126.002 121.223 0.108 0.000 2.280 109 L HA 0.510 4.849 4.340 -0.000 0.000 0.287 109 L C -0.727 176.202 176.870 0.099 0.000 1.023 109 L CA -0.560 54.341 54.840 0.100 0.000 0.819 109 L CB 1.059 43.154 42.059 0.061 0.000 1.212 109 L HN 0.534 nan 8.230 nan 0.000 0.420 110 L N 2.538 123.822 121.223 0.101 0.000 2.693 110 L HA 0.951 5.291 4.340 -0.000 0.000 0.253 110 L C 0.670 177.611 176.870 0.117 0.000 1.155 110 L CA -0.321 54.557 54.840 0.062 0.000 1.026 110 L CB 1.061 43.106 42.059 -0.023 0.000 1.817 110 L HN 0.659 nan 8.230 nan 0.000 0.556 111 G N -1.542 107.332 108.800 0.123 0.000 2.343 111 G HA2 0.077 4.037 3.960 -0.000 0.000 0.465 111 G HA3 0.077 4.037 3.960 -0.000 0.000 0.465 111 G C -2.745 172.201 174.900 0.077 0.000 1.282 111 G CA -0.836 44.359 45.100 0.158 0.000 0.996 111 G HN 0.343 nan 8.290 nan 0.000 0.521 112 P HA 0.230 nan 4.420 nan 0.000 0.249 112 P C 0.553 177.865 177.300 0.019 0.000 1.686 112 P CA 1.307 64.421 63.100 0.023 0.000 0.873 112 P CB -0.297 31.408 31.700 0.008 0.000 1.828 113 T N -4.259 110.309 114.554 0.024 0.000 2.618 113 T HA 0.292 4.641 4.350 -0.000 0.000 0.255 113 T C -0.733 173.977 174.700 0.017 0.000 0.988 113 T CA -0.732 61.380 62.100 0.021 0.000 1.221 113 T CB 0.755 69.639 68.868 0.028 0.000 1.674 113 T HN -0.066 nan 8.240 nan 0.000 0.448 114 Q N 0.771 120.581 119.800 0.018 0.000 2.261 114 Q HA 0.536 4.876 4.340 -0.000 0.000 0.252 114 Q C -0.587 175.423 176.000 0.017 0.000 0.915 114 Q CA -0.490 55.321 55.803 0.012 0.000 0.915 114 Q CB 1.412 30.156 28.738 0.010 0.000 1.204 114 Q HN 0.415 nan 8.270 nan 0.000 0.421 115 L N 3.421 124.651 121.223 0.010 0.000 2.400 115 L HA 0.065 4.405 4.340 -0.000 0.000 0.262 115 L C -0.008 176.880 176.870 0.030 0.000 1.309 115 L CA -0.110 54.740 54.840 0.017 0.000 1.186 115 L CB -0.694 41.364 42.059 -0.001 0.000 1.375 115 L HN 0.654 nan 8.230 nan 0.000 0.433 116 T N 1.407 115.978 114.554 0.028 0.000 2.900 116 T HA 0.118 4.468 4.350 -0.000 0.000 0.307 116 T C 0.189 174.899 174.700 0.017 0.000 1.065 116 T CA -0.130 61.975 62.100 0.008 0.000 1.105 116 T CB 0.847 69.708 68.868 -0.011 0.000 0.979 116 T HN 0.447 nan 8.240 nan 0.000 0.544 117 Q N 1.429 121.210 119.800 -0.032 0.000 2.397 117 Q HA 0.312 4.652 4.340 -0.000 0.000 0.260 117 Q C -0.730 175.146 176.000 -0.206 0.000 1.002 117 Q CA -0.335 55.416 55.803 -0.087 0.000 0.716 117 Q CB 1.403 30.131 28.738 -0.018 0.000 1.258 117 Q HN 0.415 nan 8.270 nan 0.000 0.477 118 R N 2.449 122.770 120.500 -0.297 0.000 2.288 118 R HA 0.290 4.630 4.340 -0.000 0.000 0.326 118 R C 0.180 176.189 176.300 -0.484 0.000 0.959 118 R CA -0.310 55.548 56.100 -0.402 0.000 0.834 118 R CB 1.236 31.234 30.300 -0.504 0.000 1.157 118 R HN 0.453 nan 8.270 nan 0.000 0.470 119 L N 3.575 124.553 121.223 -0.408 0.000 2.425 119 L HA 0.189 4.528 4.340 -0.000 0.000 0.215 119 L C -1.719 174.948 176.870 -0.338 0.000 1.065 119 L CA 0.334 54.941 54.840 -0.387 0.000 0.842 119 L CB 0.424 42.319 42.059 -0.273 0.000 1.033 119 L HN 0.442 nan 8.230 nan 0.000 0.474 120 P HA 0.201 nan 4.420 nan 0.000 0.270 120 P C 0.041 177.237 177.300 -0.173 0.000 1.551 120 P CA -0.032 62.925 63.100 -0.237 0.000 1.049 120 P CB 1.323 32.916 31.700 -0.177 0.000 1.397 121 V N 1.704 121.501 119.914 -0.194 0.000 5.043 121 V HA -0.254 3.866 4.120 -0.000 0.000 0.267 121 V C 0.739 176.762 176.094 -0.119 0.000 0.597 121 V CA 1.912 64.120 62.300 -0.153 0.000 0.703 121 V CB -2.588 29.158 31.823 -0.128 0.000 0.558 121 V HN 0.781 nan 8.190 nan 0.000 1.038 122 S N 1.444 117.067 115.700 -0.128 0.000 2.955 122 S HA 0.440 4.910 4.470 -0.000 0.000 0.294 122 S C 0.598 175.116 174.600 -0.137 0.000 1.198 122 S CA -0.653 57.479 58.200 -0.113 0.000 1.008 122 S CB 0.437 63.573 63.200 -0.106 0.000 1.279 122 S HN 0.839 nan 8.310 nan 0.000 0.508 123 R N 2.338 122.765 120.500 -0.123 0.000 3.252 123 R HA -0.112 4.228 4.340 -0.000 0.000 0.333 123 R C -0.568 175.617 176.300 -0.191 0.000 0.722 123 R CA 0.284 56.300 56.100 -0.140 0.000 1.078 123 R CB -0.498 29.747 30.300 -0.092 0.000 0.898 123 R HN 0.608 nan 8.270 nan 0.000 0.379 124 Q N 3.178 122.814 119.800 -0.273 0.000 2.318 124 Q HA -0.056 4.283 4.340 -0.000 0.000 0.270 124 Q C -0.328 175.429 176.000 -0.404 0.000 1.237 124 Q CA 0.693 56.298 55.803 -0.330 0.000 0.937 124 Q CB 0.331 28.846 28.738 -0.372 0.000 1.375 124 Q HN 0.575 nan 8.270 nan 0.000 0.452 125 E N 0.990 121.060 120.200 -0.216 0.000 2.422 125 E HA -0.016 4.334 4.350 -0.000 0.000 0.260 125 E C 0.046 176.613 176.600 -0.055 0.000 1.108 125 E CA -0.495 55.835 56.400 -0.117 0.000 0.943 125 E CB 0.632 30.295 29.700 -0.062 0.000 0.961 125 E HN 0.573 nan 8.360 nan 0.000 0.443 126 c N 2.390 121.039 118.600 0.081 0.000 2.767 126 c HA 0.153 4.723 4.570 -0.000 0.000 0.353 126 c C -1.742 172.385 174.090 0.062 0.000 1.376 126 c CA -1.128 55.304 56.329 0.172 0.000 2.284 126 c CB -1.292 41.336 42.510 0.197 0.000 2.535 126 c HN 0.615 nan 8.230 nan 0.000 0.745 127 P HA 0.357 nan 4.420 nan 0.000 0.285 127 P C -0.465 176.837 177.300 0.004 0.000 1.259 127 P CA -0.297 62.798 63.100 -0.008 0.000 0.794 127 P CB 0.462 32.132 31.700 -0.049 0.000 0.940 328 F N 0.271 120.251 119.950 0.049 0.000 3.016 328 F HA 0.602 5.129 4.527 -0.000 0.000 0.324 328 F C 0.644 176.451 175.800 0.013 0.000 1.196 328 F CA -0.639 57.348 58.000 -0.022 0.000 0.929 328 F CB 1.178 40.115 39.000 -0.106 0.000 1.440 328 F HN 0.577 nan 8.300 nan 0.000 0.505 329 E N -0.301 120.001 120.200 0.170 0.000 3.730 329 E HA 0.396 4.746 4.350 -0.000 0.000 0.233 329 E C -0.790 175.705 176.600 -0.175 0.000 1.281 329 E CA 0.150 56.619 56.400 0.115 0.000 1.519 329 E CB 0.927 30.674 29.700 0.078 0.000 2.292 329 E HN 0.378 nan 8.360 nan 0.000 0.655 330 L N 2.156 123.273 121.223 -0.177 0.000 2.613 330 L HA 0.267 4.607 4.340 -0.000 0.000 0.275 330 L C 0.030 176.763 176.870 -0.229 0.000 1.453 330 L CA 0.061 54.744 54.840 -0.262 0.000 0.725 330 L CB 1.065 42.980 42.059 -0.241 0.000 1.013 330 L HN 0.015 nan 8.230 nan 0.000 0.520 331 E N 0.595 120.644 120.200 -0.252 0.000 2.206 331 E HA 0.221 4.571 4.350 -0.000 0.000 0.195 331 E C 0.655 177.169 176.600 -0.144 0.000 0.935 331 E CA 0.898 57.129 56.400 -0.281 0.000 0.875 331 E CB 0.391 29.669 29.700 -0.704 0.000 0.841 331 E HN 0.357 nan 8.360 nan 0.000 0.477 332 M N 0.004 119.436 119.600 -0.280 0.000 3.074 332 M HA 0.506 4.986 4.480 -0.000 0.000 0.252 332 M C 0.178 176.210 176.300 -0.446 0.000 1.181 332 M CA -0.242 54.906 55.300 -0.254 0.000 0.771 332 M CB 1.416 33.905 32.600 -0.184 0.000 1.375 332 M HN 0.045 nan 8.290 nan 0.000 0.512 333 A N -0.117 122.511 122.820 -0.320 0.000 2.267 333 A HA 0.129 4.449 4.320 -0.000 0.000 0.213 333 A C 1.051 178.563 177.584 -0.119 0.000 1.192 333 A CA 0.069 51.940 52.037 -0.277 0.000 0.851 333 A CB 0.100 18.950 19.000 -0.250 0.000 0.881 333 A HN 0.729 nan 8.150 nan 0.000 0.494 334 Q N 0.620 120.369 119.800 -0.086 0.000 2.406 334 Q HA -0.224 4.116 4.340 -0.000 0.000 0.339 334 Q C -0.051 175.962 176.000 0.021 0.000 1.337 334 Q CA 0.849 56.642 55.803 -0.016 0.000 0.985 334 Q CB -1.399 27.360 28.738 0.036 0.000 1.216 334 Q HN 0.853 nan 8.270 nan 0.000 0.415 335 E N -0.537 119.647 120.200 -0.026 0.000 2.481 335 E HA 0.105 4.454 4.350 -0.000 0.000 0.263 335 E C 1.242 177.855 176.600 0.021 0.000 0.992 335 E CA 1.075 57.482 56.400 0.011 0.000 0.938 335 E CB 0.157 29.809 29.700 -0.080 0.000 0.933 335 E HN 0.520 nan 8.360 nan 0.000 0.453 336 G N 3.709 112.548 108.800 0.065 0.000 2.157 336 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.239 336 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.239 336 G C 0.332 175.253 174.900 0.034 0.000 0.982 336 G CA 0.205 45.319 45.100 0.024 0.000 0.650 336 G HN 0.657 nan 8.290 nan 0.000 0.527 337 F N 2.425 122.336 119.950 -0.064 0.000 2.250 337 F HA 0.206 4.733 4.527 -0.000 0.000 0.301 337 F C 1.380 177.100 175.800 -0.132 0.000 1.077 337 F CA 2.131 60.063 58.000 -0.113 0.000 1.348 337 F CB 0.208 39.125 39.000 -0.138 0.000 1.040 337 F HN 0.717 nan 8.300 nan 0.000 0.509 338 S N -0.433 115.270 115.700 0.004 0.000 2.592 338 S HA 0.781 5.251 4.470 -0.000 0.000 0.275 338 S C -0.893 173.711 174.600 0.007 0.000 1.169 338 S CA -0.390 57.776 58.200 -0.057 0.000 0.958 338 S CB 1.081 64.283 63.200 0.003 0.000 1.095 338 S HN 0.482 nan 8.310 nan 0.000 0.471 339 A N 1.836 124.646 122.820 -0.017 0.000 2.454 339 A HA 0.993 5.313 4.320 -0.000 0.000 0.302 339 A C -0.863 176.723 177.584 0.005 0.000 1.079 339 A CA -1.007 51.017 52.037 -0.021 0.000 0.731 339 A CB 1.976 20.932 19.000 -0.073 0.000 1.299 339 A HN 1.933 nan 8.150 nan 0.000 0.413 340 V N 1.747 121.655 119.914 -0.011 0.000 3.000 340 V HA 0.650 4.769 4.120 -0.000 0.000 0.300 340 V C -1.293 174.834 176.094 0.056 0.000 1.251 340 V CA -0.777 61.580 62.300 0.095 0.000 0.972 340 V CB 1.629 33.517 31.823 0.108 0.000 1.065 340 V HN 0.877 nan 8.190 nan 0.000 0.431 341 F N 2.874 122.856 119.950 0.053 0.000 2.234 341 F HA 0.800 5.327 4.527 -0.000 0.000 0.292 341 F C 0.835 176.668 175.800 0.055 0.000 1.187 341 F CA 0.746 58.782 58.000 0.059 0.000 1.128 341 F CB 1.333 40.365 39.000 0.053 0.000 1.507 341 F HN 0.650 nan 8.300 nan 0.000 0.512 342 T N -0.756 113.965 114.554 0.279 0.000 3.230 342 T HA 0.170 4.520 4.350 -0.000 0.000 0.390 342 T C -2.455 172.334 174.700 0.149 0.000 1.761 342 T CA -1.077 61.124 62.100 0.169 0.000 1.129 342 T CB 0.979 69.918 68.868 0.119 0.000 1.583 342 T HN 0.138 nan 8.240 nan 0.000 0.480 343 P HA -0.108 nan 4.420 nan 0.000 0.219 343 P C 0.143 177.499 177.300 0.095 0.000 1.151 343 P CA 1.621 64.775 63.100 0.091 0.000 0.850 343 P CB -0.109 31.631 31.700 0.067 0.000 0.784 344 D N -1.488 118.972 120.400 0.099 0.000 3.133 344 D HA 0.447 5.087 4.640 -0.000 0.000 0.288 344 D C 0.594 176.960 176.300 0.109 0.000 1.346 344 D CA -0.611 53.448 54.000 0.099 0.000 0.934 344 D CB -0.622 40.237 40.800 0.098 0.000 1.042 344 D HN 0.169 nan 8.370 nan 0.000 0.506 345 G N 0.745 109.619 108.800 0.122 0.000 2.712 345 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 345 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 345 G C -2.860 172.105 174.900 0.108 0.000 1.321 345 G CA -1.113 44.063 45.100 0.127 0.000 0.813 345 G HN 0.263 nan 8.290 nan 0.000 0.599 346 P HA 0.482 nan 4.420 nan 0.000 0.274 346 P C -0.171 177.139 177.300 0.017 0.000 1.264 346 P CA -0.394 62.636 63.100 -0.116 0.000 0.795 346 P CB 0.734 32.262 31.700 -0.287 0.000 1.064 347 V N 0.828 120.718 119.914 -0.040 0.000 2.610 347 V HA 0.179 4.299 4.120 -0.000 0.000 0.288 347 V C -0.561 175.555 176.094 0.036 0.000 1.055 347 V CA -0.365 61.951 62.300 0.027 0.000 0.902 347 V CB 1.251 33.078 31.823 0.006 0.000 1.030 347 V HN 0.275 nan 8.190 nan 0.000 0.448 348 L N 3.302 124.604 121.223 0.131 0.000 2.375 348 L HA 0.908 5.248 4.340 -0.000 0.000 0.268 348 L C 0.867 177.833 176.870 0.160 0.000 1.058 348 L CA 0.169 55.085 54.840 0.127 0.000 0.803 348 L CB 1.494 43.647 42.059 0.158 0.000 1.212 348 L HN 0.677 nan 8.230 nan 0.000 0.451 349 G N 0.265 109.153 108.800 0.146 0.000 2.416 349 G HA2 0.699 4.659 3.960 -0.000 0.000 0.324 349 G HA3 0.699 4.659 3.960 -0.000 0.000 0.324 349 G C -1.122 173.893 174.900 0.191 0.000 1.194 349 G CA -0.358 44.838 45.100 0.160 0.000 0.922 349 G HN 0.796 nan 8.290 nan 0.000 0.467 350 A N 1.275 124.232 122.820 0.228 0.000 2.295 350 A HA 0.699 5.019 4.320 -0.000 0.000 0.318 350 A C 1.154 178.791 177.584 0.088 0.000 1.134 350 A CA -0.017 52.123 52.037 0.170 0.000 0.827 350 A CB 1.544 20.714 19.000 0.283 0.000 1.136 350 A HN 1.548 nan 8.150 nan 0.000 0.493 351 V N -0.871 119.054 119.914 0.019 0.000 2.911 351 V HA 0.342 4.462 4.120 -0.000 0.000 0.237 351 V C 1.417 177.526 176.094 0.024 0.000 1.156 351 V CA 1.134 63.490 62.300 0.093 0.000 1.180 351 V CB -0.744 31.164 31.823 0.142 0.000 0.932 351 V HN 0.998 nan 8.190 nan 0.000 0.483 352 G N 1.307 109.929 108.800 -0.296 0.000 3.424 352 G HA2 0.208 4.168 3.960 -0.000 0.000 0.263 352 G HA3 0.208 4.168 3.960 -0.000 0.000 0.263 352 G C 0.326 174.747 174.900 -0.799 0.000 1.310 352 G CA 0.220 44.745 45.100 -0.959 0.000 1.089 352 G HN 0.415 nan 8.290 nan 0.000 0.534 353 S N 1.293 116.664 115.700 -0.549 0.000 2.509 353 S HA 0.352 4.821 4.470 -0.000 0.000 0.287 353 S C 0.670 174.773 174.600 -0.827 0.000 1.248 353 S CA -0.343 57.296 58.200 -0.934 0.000 1.089 353 S CB -0.066 62.575 63.200 -0.932 0.000 0.900 353 S HN 0.456 nan 8.310 nan 0.000 0.496 354 F N 0.281 120.175 119.950 -0.092 0.000 2.369 354 F HA -0.345 4.182 4.527 -0.000 0.000 0.581 354 F C 1.880 177.699 175.800 0.032 0.000 1.044 354 F CA 1.371 59.368 58.000 -0.005 0.000 1.260 354 F CB -2.174 36.837 39.000 0.019 0.000 2.263 354 F HN 0.532 nan 8.300 nan 0.000 0.231 355 T N -3.114 111.634 114.554 0.324 0.000 3.535 355 T HA 0.283 4.633 4.350 -0.000 0.000 0.238 355 T C -0.161 174.723 174.700 0.307 0.000 0.909 355 T CA 0.445 62.716 62.100 0.284 0.000 0.928 355 T CB -1.568 67.431 68.868 0.218 0.000 1.134 355 T HN 0.566 nan 8.240 nan 0.000 0.627 356 W N 0.109 121.398 121.300 -0.018 0.000 5.271 356 W HA -0.302 4.358 4.660 -0.000 0.000 0.364 356 W C 1.832 178.299 176.519 -0.088 0.000 1.342 356 W CA 0.537 57.820 57.345 -0.104 0.000 0.899 356 W CB -2.419 26.929 29.460 -0.185 0.000 2.450 356 W HN 0.537 nan 8.180 nan 0.000 1.508 357 S N -0.173 115.612 115.700 0.140 0.000 2.344 357 S HA 0.270 4.740 4.470 -0.000 0.000 0.217 357 S C 1.451 176.113 174.600 0.102 0.000 1.033 357 S CA 2.635 60.921 58.200 0.142 0.000 1.017 357 S CB -0.379 62.969 63.200 0.247 0.000 0.941 357 S HN 1.373 nan 8.310 nan 0.000 0.430 358 G N -1.778 107.053 108.800 0.052 0.000 2.408 358 G HA2 0.456 4.415 3.960 -0.000 0.000 0.682 358 G HA3 0.456 4.415 3.960 -0.000 0.000 0.682 358 G C -0.043 174.861 174.900 0.006 0.000 1.303 358 G CA -0.494 44.631 45.100 0.042 0.000 0.966 358 G HN 1.572 nan 8.290 nan 0.000 0.560 359 G N -1.676 107.101 108.800 -0.038 0.000 2.336 359 G HA2 0.823 4.783 3.960 -0.000 0.000 0.286 359 G HA3 0.823 4.783 3.960 -0.000 0.000 0.286 359 G C -0.757 174.008 174.900 -0.225 0.000 1.269 359 G CA 1.154 46.066 45.100 -0.313 0.000 0.873 359 G HN 2.720 nan 8.290 nan 0.000 0.494 360 A N -0.996 121.524 122.820 -0.500 0.000 2.513 360 A HA 0.720 5.039 4.320 -0.000 0.000 0.296 360 A C -1.633 175.808 177.584 -0.239 0.000 1.052 360 A CA -0.561 51.368 52.037 -0.179 0.000 0.714 360 A CB 0.864 19.770 19.000 -0.158 0.000 1.279 360 A HN 1.046 nan 8.150 nan 0.000 0.397 361 F N 1.985 121.961 119.950 0.042 0.000 2.411 361 F HA 0.467 4.994 4.527 -0.000 0.000 0.355 361 F C 0.399 175.947 175.800 -0.419 0.000 1.117 361 F CA -0.145 57.788 58.000 -0.111 0.000 1.139 361 F CB 1.405 40.295 39.000 -0.184 0.000 1.120 361 F HN 0.568 nan 8.300 nan 0.000 0.493 362 L N 5.187 126.229 121.223 -0.301 0.000 2.292 362 L HA 0.420 4.759 4.340 -0.000 0.000 0.284 362 L C -1.398 175.211 176.870 -0.435 0.000 1.065 362 L CA -0.654 54.025 54.840 -0.268 0.000 0.806 362 L CB 0.615 42.601 42.059 -0.122 0.000 1.175 362 L HN 0.499 nan 8.230 nan 0.000 0.431 363 Y N 5.505 125.825 120.300 0.033 0.000 2.478 363 Y HA 0.434 4.983 4.550 -0.000 0.000 0.329 363 Y C -2.115 173.799 175.900 0.022 0.000 0.967 363 Y CA -2.431 55.681 58.100 0.019 0.000 1.255 363 Y CB 0.603 39.058 38.460 -0.009 0.000 1.103 363 Y HN 0.538 nan 8.280 nan 0.000 0.497 364 P HA 0.059 nan 4.420 nan 0.000 0.288 364 P C -2.383 174.979 177.300 0.104 0.000 1.291 364 P CA -1.278 61.885 63.100 0.105 0.000 0.766 364 P CB 0.032 31.777 31.700 0.076 0.000 1.242 365 P HA 0.029 nan 4.420 nan 0.000 0.244 365 P C -0.100 177.232 177.300 0.053 0.000 1.769 365 P CA 0.299 63.439 63.100 0.066 0.000 1.102 365 P CB -0.788 30.948 31.700 0.059 0.000 1.937 366 N N -0.119 118.613 118.700 0.053 0.000 2.929 366 N HA -0.173 4.567 4.740 -0.000 0.000 0.234 366 N C 0.192 175.726 175.510 0.039 0.000 0.908 366 N CA 0.846 53.919 53.050 0.039 0.000 0.993 366 N CB -1.184 37.319 38.487 0.027 0.000 1.075 366 N HN 0.461 nan 8.380 nan 0.000 0.603 367 M N 1.593 121.221 119.600 0.046 0.000 2.243 367 M HA 0.143 4.623 4.480 -0.000 0.000 0.341 367 M C 0.613 176.942 176.300 0.048 0.000 1.130 367 M CA -0.088 55.236 55.300 0.040 0.000 1.162 367 M CB 0.701 33.325 32.600 0.040 0.000 1.497 367 M HN 0.256 nan 8.290 nan 0.000 0.456 368 S N 4.883 120.602 115.700 0.031 0.000 2.558 368 S HA 0.317 4.787 4.470 -0.000 0.000 0.288 368 S C -2.407 172.209 174.600 0.026 0.000 1.318 368 S CA -1.090 57.131 58.200 0.035 0.000 1.056 368 S CB -0.383 62.823 63.200 0.010 0.000 0.853 368 S HN 0.612 nan 8.310 nan 0.000 0.505 369 P HA 0.283 nan 4.420 nan 0.000 0.276 369 P C 0.280 177.523 177.300 -0.095 0.000 1.252 369 P CA -0.411 62.659 63.100 -0.051 0.000 0.802 369 P CB 0.753 32.359 31.700 -0.158 0.000 1.035 370 T N -2.014 112.438 114.554 -0.170 0.000 2.855 370 T HA 0.749 5.098 4.350 -0.000 0.000 0.275 370 T C -1.003 173.594 174.700 -0.170 0.000 1.022 370 T CA -0.561 61.410 62.100 -0.215 0.000 0.977 370 T CB 0.900 69.531 68.868 -0.395 0.000 1.559 370 T HN 0.399 nan 8.240 nan 0.000 0.600 371 F N 0.128 119.789 119.950 -0.482 0.000 2.690 371 F HA 0.542 5.069 4.527 -0.000 0.000 0.311 371 F C -2.127 173.358 175.800 -0.525 0.000 1.111 371 F CA -1.436 56.167 58.000 -0.661 0.000 1.003 371 F CB 1.327 39.752 39.000 -0.959 0.000 1.283 371 F HN 0.797 nan 8.300 nan 0.000 0.442 372 I N 3.797 123.489 120.570 -1.463 0.000 2.466 372 I HA 0.520 4.690 4.170 -0.000 0.000 0.279 372 I C -0.955 174.376 176.117 -1.310 0.000 1.033 372 I CA -0.607 60.028 61.300 -1.108 0.000 1.123 372 I CB 1.085 38.590 38.000 -0.825 0.000 1.237 372 I HN 0.582 nan 8.210 nan 0.000 0.460 373 N N 5.929 124.108 118.700 -0.867 0.000 2.547 373 N HA 0.432 5.172 4.740 -0.000 0.000 0.301 373 N C 0.280 175.651 175.510 -0.232 0.000 1.328 373 N CA -0.543 52.289 53.050 -0.363 0.000 0.932 373 N CB 0.340 38.974 38.487 0.245 0.000 1.104 373 N HN 0.512 nan 8.380 nan 0.000 0.548 374 M N -0.474 119.116 119.600 -0.017 0.000 2.405 374 M HA 0.212 4.692 4.480 -0.000 0.000 0.292 374 M C -0.334 175.985 176.300 0.031 0.000 1.111 374 M CA 0.144 55.473 55.300 0.049 0.000 0.979 374 M CB -1.394 31.281 32.600 0.124 0.000 1.426 374 M HN 0.924 nan 8.290 nan 0.000 0.509 375 S N -0.096 115.598 115.700 -0.009 0.000 3.832 375 S HA -0.228 4.242 4.470 -0.000 0.000 0.719 375 S C 0.280 174.851 174.600 -0.048 0.000 1.382 375 S CA 0.722 58.898 58.200 -0.040 0.000 1.406 375 S CB -0.357 62.833 63.200 -0.016 0.000 0.425 375 S HN 0.608 nan 8.310 nan 0.000 0.834 376 Q N 0.345 120.094 119.800 -0.085 0.000 2.339 376 Q HA 0.090 4.430 4.340 -0.000 0.000 0.205 376 Q C 1.857 177.839 176.000 -0.030 0.000 0.925 376 Q CA 0.752 56.507 55.803 -0.079 0.000 0.898 376 Q CB -0.154 28.509 28.738 -0.126 0.000 1.013 376 Q HN 0.812 nan 8.270 nan 0.000 0.504 377 E N 0.825 121.012 120.200 -0.022 0.000 2.393 377 E HA -0.169 4.180 4.350 -0.000 0.000 0.201 377 E C 0.105 176.714 176.600 0.015 0.000 1.025 377 E CA 0.303 56.702 56.400 -0.002 0.000 0.856 377 E CB -0.082 29.619 29.700 0.002 0.000 0.771 377 E HN 0.139 nan 8.360 nan 0.000 0.526 378 N N 0.451 119.165 118.700 0.023 0.000 2.555 378 N HA -0.030 4.710 4.740 -0.000 0.000 0.244 378 N C 0.898 176.437 175.510 0.048 0.000 1.114 378 N CA -0.120 52.958 53.050 0.046 0.000 0.963 378 N CB 0.943 39.469 38.487 0.065 0.000 1.276 378 N HN -0.068 nan 8.380 nan 0.000 0.510 379 V N -0.068 119.870 119.914 0.039 0.000 2.392 379 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 379 V C 0.990 177.103 176.094 0.031 0.000 1.059 379 V CA 1.488 63.806 62.300 0.030 0.000 1.051 379 V CB -0.890 30.947 31.823 0.022 0.000 0.658 379 V HN 0.610 nan 8.190 nan 0.000 0.455 380 D N -0.352 120.075 120.400 0.045 0.000 2.376 380 D HA 0.179 4.819 4.640 -0.000 0.000 0.281 380 D C 0.998 177.325 176.300 0.045 0.000 1.215 380 D CA -0.158 53.850 54.000 0.014 0.000 1.062 380 D CB 0.104 40.921 40.800 0.028 0.000 1.124 380 D HN 0.271 nan 8.370 nan 0.000 0.550 381 M N -2.702 116.907 119.600 0.014 0.000 2.921 381 M HA -0.213 4.267 4.480 -0.000 0.000 0.206 381 M C -1.072 175.241 176.300 0.022 0.000 0.574 381 M CA 0.470 55.830 55.300 0.100 0.000 0.746 381 M CB -0.942 31.773 32.600 0.191 0.000 2.693 381 M HN 0.401 nan 8.290 nan 0.000 0.439 382 R N 1.964 122.436 120.500 -0.047 0.000 2.316 382 R HA 0.201 4.540 4.340 -0.000 0.000 0.314 382 R C -0.090 176.125 176.300 -0.141 0.000 1.069 382 R CA 0.206 56.283 56.100 -0.038 0.000 0.959 382 R CB 0.222 30.504 30.300 -0.030 0.000 0.987 382 R HN 0.347 nan 8.270 nan 0.000 0.446 383 D N 1.842 122.168 120.400 -0.124 0.000 3.187 383 D HA -0.119 4.521 4.640 -0.000 0.000 0.244 383 D C 0.143 176.176 176.300 -0.444 0.000 1.114 383 D CA 1.483 55.279 54.000 -0.339 0.000 0.920 383 D CB -0.900 39.675 40.800 -0.376 0.000 0.970 383 D HN 0.726 nan 8.370 nan 0.000 0.418 384 S N -0.758 114.735 115.700 -0.345 0.000 2.728 384 S HA 0.087 4.557 4.470 -0.000 0.000 0.257 384 S C 0.614 175.161 174.600 -0.089 0.000 1.060 384 S CA -0.284 57.786 58.200 -0.216 0.000 1.126 384 S CB 0.228 63.421 63.200 -0.011 0.000 1.099 384 S HN 0.282 nan 8.310 nan 0.000 0.617 385 Y N 0.767 121.105 120.300 0.062 0.000 3.305 385 Y HA -0.158 4.392 4.550 -0.000 0.000 0.212 385 Y C 0.219 176.178 175.900 0.099 0.000 1.248 385 Y CA -0.122 58.033 58.100 0.091 0.000 1.359 385 Y CB -2.527 35.991 38.460 0.096 0.000 1.407 385 Y HN 0.517 nan 8.280 nan 0.000 0.572 386 L N 1.241 122.573 121.223 0.182 0.000 2.745 386 L HA 0.379 4.719 4.340 -0.000 0.000 0.273 386 L C 1.198 178.159 176.870 0.151 0.000 1.156 386 L CA 1.667 56.599 54.840 0.153 0.000 0.982 386 L CB -0.078 42.056 42.059 0.125 0.000 1.295 386 L HN 0.667 nan 8.230 nan 0.000 0.483 387 G N 3.196 112.104 108.800 0.180 0.000 2.183 387 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.168 387 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.168 387 G C 0.508 175.561 174.900 0.255 0.000 1.008 387 G CA 0.200 45.403 45.100 0.170 0.000 0.677 387 G HN 0.712 nan 8.290 nan 0.000 0.498 388 Y N 2.343 122.749 120.300 0.178 0.000 2.207 388 Y HA 0.130 4.680 4.550 -0.000 0.000 0.287 388 Y C 1.637 177.769 175.900 0.386 0.000 1.156 388 Y CA 2.396 60.667 58.100 0.284 0.000 1.182 388 Y CB 0.169 38.756 38.460 0.211 0.000 0.979 388 Y HN 0.672 nan 8.280 nan 0.000 0.521 389 S N -0.619 115.323 115.700 0.404 0.000 2.536 389 S HA 0.667 5.137 4.470 -0.000 0.000 0.287 389 S C -0.587 174.099 174.600 0.144 0.000 1.101 389 S CA -0.203 58.139 58.200 0.236 0.000 0.950 389 S CB 2.154 65.498 63.200 0.239 0.000 1.056 389 S HN 0.323 nan 8.310 nan 0.000 0.481 390 T N -0.990 113.620 114.554 0.092 0.000 2.912 390 T HA 0.818 5.168 4.350 -0.000 0.000 0.299 390 T C -1.107 173.624 174.700 0.052 0.000 1.052 390 T CA -0.503 61.637 62.100 0.068 0.000 0.996 390 T CB 1.868 70.773 68.868 0.062 0.000 1.070 390 T HN 0.781 nan 8.240 nan 0.000 0.465 391 E N 0.996 121.221 120.200 0.042 0.000 2.392 391 E HA 0.619 4.969 4.350 -0.000 0.000 0.279 391 E C -1.680 174.942 176.600 0.037 0.000 0.964 391 E CA -0.864 55.561 56.400 0.042 0.000 0.777 391 E CB 1.795 31.512 29.700 0.029 0.000 1.249 391 E HN 0.683 nan 8.360 nan 0.000 0.449 392 L N 2.088 123.342 121.223 0.052 0.000 2.479 392 L HA 0.826 5.166 4.340 -0.000 0.000 0.249 392 L C -0.349 176.542 176.870 0.036 0.000 1.178 392 L CA 0.477 55.348 54.840 0.052 0.000 0.811 392 L CB 1.363 43.468 42.059 0.077 0.000 1.187 392 L HN 0.675 nan 8.230 nan 0.000 0.480 393 A N 3.381 126.223 122.820 0.037 0.000 3.368 393 A HA 0.286 4.606 4.320 -0.000 0.000 0.211 393 A C -0.431 177.201 177.584 0.081 0.000 1.004 393 A CA -0.470 51.589 52.037 0.036 0.000 1.059 393 A CB -0.634 18.354 19.000 -0.021 0.000 1.298 393 A HN 0.692 nan 8.150 nan 0.000 0.613 394 L N 0.275 121.558 121.223 0.099 0.000 2.536 394 L HA 0.262 4.602 4.340 -0.000 0.000 0.294 394 L C -0.071 176.939 176.870 0.235 0.000 1.257 394 L CA 0.848 55.767 54.840 0.131 0.000 0.850 394 L CB 0.363 42.477 42.059 0.091 0.000 1.105 394 L HN 0.649 nan 8.230 nan 0.000 0.517 395 W N 3.974 125.275 121.300 0.002 0.000 3.074 395 W HA 0.261 4.921 4.660 -0.000 0.000 0.332 395 W C 0.569 177.089 176.519 0.003 0.000 1.253 395 W CA -0.895 56.452 57.345 0.003 0.000 1.180 395 W CB 1.075 30.535 29.460 0.000 0.000 1.445 395 W HN 0.577 nan 8.180 nan 0.000 0.573 396 K N 0.925 120.711 120.400 -1.023 0.000 2.228 396 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 396 K C 1.052 177.281 176.600 -0.618 0.000 1.045 396 K CA 2.160 57.922 56.287 -0.876 0.000 0.931 396 K CB -0.464 31.355 32.500 -1.136 0.000 0.727 396 K HN 0.596 nan 8.250 nan 0.000 0.458 397 G N 0.105 108.586 108.800 -0.530 0.000 3.329 397 G HA2 0.256 4.216 3.960 -0.000 0.000 0.180 397 G HA3 0.256 4.216 3.960 -0.000 0.000 0.180 397 G C -0.066 174.913 174.900 0.130 0.000 1.640 397 G CA 0.099 45.195 45.100 -0.007 0.000 1.018 397 G HN 0.164 nan 8.290 nan 0.000 0.581 398 V N -1.560 118.488 119.914 0.224 0.000 3.170 398 V HA 0.586 4.706 4.120 -0.000 0.000 0.309 398 V C -0.008 176.174 176.094 0.146 0.000 1.071 398 V CA -0.892 61.484 62.300 0.127 0.000 1.063 398 V CB 1.009 32.871 31.823 0.065 0.000 1.123 398 V HN 0.549 nan 8.190 nan 0.000 0.464 399 Q N 0.965 120.814 119.800 0.081 0.000 2.500 399 Q HA 0.613 4.953 4.340 -0.000 0.000 0.215 399 Q C -0.286 175.733 176.000 0.032 0.000 1.062 399 Q CA 0.150 55.996 55.803 0.072 0.000 0.996 399 Q CB 0.802 29.575 28.738 0.058 0.000 1.239 399 Q HN 0.959 nan 8.270 nan 0.000 0.578 400 S N -0.167 115.540 115.700 0.013 0.000 2.566 400 S HA 0.461 4.931 4.470 -0.000 0.000 0.273 400 S C -1.162 173.420 174.600 -0.031 0.000 1.157 400 S CA -0.726 57.447 58.200 -0.044 0.000 0.938 400 S CB 0.698 63.834 63.200 -0.107 0.000 1.087 400 S HN 0.377 nan 8.310 nan 0.000 0.474 401 L N 2.174 123.388 121.223 -0.014 0.000 2.431 401 L HA 0.812 5.152 4.340 -0.000 0.000 0.260 401 L C -0.740 176.131 176.870 0.002 0.000 1.098 401 L CA -0.869 53.980 54.840 0.015 0.000 0.800 401 L CB 1.206 43.288 42.059 0.037 0.000 1.210 401 L HN 0.355 nan 8.230 nan 0.000 0.465 402 V N 2.106 122.030 119.914 0.016 0.000 2.777 402 V HA 0.437 4.557 4.120 -0.000 0.000 0.306 402 V C -0.627 175.492 176.094 0.042 0.000 1.112 402 V CA -0.486 61.803 62.300 -0.018 0.000 0.917 402 V CB 2.178 33.950 31.823 -0.085 0.000 1.018 402 V HN 0.467 nan 8.190 nan 0.000 0.426 403 L N 3.149 124.415 121.223 0.071 0.000 2.362 403 L HA 0.871 5.210 4.340 -0.000 0.000 0.271 403 L C 0.556 177.467 176.870 0.069 0.000 1.002 403 L CA -0.689 54.212 54.840 0.103 0.000 0.818 403 L CB 2.133 44.293 42.059 0.168 0.000 1.298 403 L HN 0.761 nan 8.230 nan 0.000 0.420 404 G N 1.086 109.946 108.800 0.100 0.000 2.322 404 G HA2 0.588 4.548 3.960 -0.000 0.000 0.309 404 G HA3 0.588 4.548 3.960 -0.000 0.000 0.309 404 G C -0.433 174.525 174.900 0.097 0.000 1.121 404 G CA -0.316 44.826 45.100 0.070 0.000 0.886 404 G HN 0.723 nan 8.290 nan 0.000 0.447 405 A N 4.819 127.660 122.820 0.034 0.000 2.938 405 A HA 0.652 4.972 4.320 -0.000 0.000 0.344 405 A C -1.434 176.119 177.584 -0.052 0.000 1.142 405 A CA -1.323 50.738 52.037 0.040 0.000 0.841 405 A CB 1.229 20.272 19.000 0.072 0.000 1.083 405 A HN 0.408 nan 8.150 nan 0.000 0.479 406 P HA -0.166 nan 4.420 nan 0.000 0.217 406 P C 0.550 177.615 177.300 -0.392 0.000 1.148 406 P CA 1.357 64.103 63.100 -0.591 0.000 0.834 406 P CB 0.131 30.982 31.700 -1.417 0.000 0.783 407 R N -2.298 118.068 120.500 -0.223 0.000 2.903 407 R HA 0.199 4.539 4.340 -0.000 0.000 0.363 407 R C -0.505 175.695 176.300 -0.166 0.000 1.161 407 R CA -0.585 55.401 56.100 -0.191 0.000 1.109 407 R CB -0.293 29.865 30.300 -0.237 0.000 1.399 407 R HN 0.143 nan 8.270 nan 0.000 0.587 408 Y N 2.171 122.380 120.300 -0.152 0.000 2.531 408 Y HA -0.039 4.511 4.550 -0.000 0.000 0.347 408 Y C 0.490 176.329 175.900 -0.100 0.000 1.024 408 Y CA 0.397 58.427 58.100 -0.117 0.000 1.306 408 Y CB 0.212 38.643 38.460 -0.048 0.000 1.149 408 Y HN 0.402 nan 8.280 nan 0.000 0.527 409 Q N 5.680 125.138 119.800 -0.570 0.000 2.494 409 Q HA -0.350 3.990 4.340 -0.000 0.000 0.266 409 Q C 0.059 176.034 176.000 -0.042 0.000 1.053 409 Q CA 1.148 56.747 55.803 -0.340 0.000 1.029 409 Q CB -1.558 26.989 28.738 -0.318 0.000 1.423 409 Q HN 1.126 nan 8.270 nan 0.000 0.516 410 H N -4.155 114.858 119.070 -0.094 0.000 3.415 410 H HA -0.216 4.340 4.556 -0.000 0.000 0.213 410 H C 1.368 176.696 175.328 0.001 0.000 1.091 410 H CA 1.822 57.841 56.048 -0.048 0.000 1.182 410 H CB -1.854 27.882 29.762 -0.042 0.000 1.160 410 H HN 0.744 nan 8.280 nan 0.000 0.319 411 T N -2.391 112.225 114.554 0.102 0.000 3.082 411 T HA 0.480 4.829 4.350 -0.000 0.000 0.235 411 T C 1.204 175.966 174.700 0.103 0.000 0.991 411 T CA 0.909 63.076 62.100 0.112 0.000 1.220 411 T CB 1.440 70.371 68.868 0.105 0.000 0.909 411 T HN 1.079 nan 8.240 nan 0.000 0.424 412 G N 1.113 109.993 108.800 0.134 0.000 2.944 412 G HA2 0.305 4.265 3.960 -0.000 0.000 0.471 412 G HA3 0.305 4.265 3.960 -0.000 0.000 0.471 412 G C -1.164 173.891 174.900 0.259 0.000 1.388 412 G CA -0.535 44.650 45.100 0.141 0.000 1.087 412 G HN 0.618 nan 8.290 nan 0.000 0.596 413 K N 1.041 121.549 120.400 0.180 0.000 2.395 413 K HA 0.910 5.229 4.320 -0.000 0.000 0.247 413 K C -0.184 176.468 176.600 0.087 0.000 0.973 413 K CA -0.410 55.947 56.287 0.116 0.000 0.828 413 K CB 2.182 34.501 32.500 -0.302 0.000 1.272 413 K HN 1.460 nan 8.250 nan 0.000 0.439 414 A N 2.442 125.338 122.820 0.126 0.000 2.330 414 A HA 0.609 4.929 4.320 -0.000 0.000 0.313 414 A C -1.375 176.154 177.584 -0.091 0.000 1.124 414 A CA -0.690 51.355 52.037 0.013 0.000 0.774 414 A CB 1.373 20.384 19.000 0.019 0.000 1.198 414 A HN 0.375 nan 8.150 nan 0.000 0.465 415 V N 3.796 123.586 119.914 -0.207 0.000 2.540 415 V HA 0.443 4.562 4.120 -0.000 0.000 0.302 415 V C -0.323 175.387 176.094 -0.641 0.000 1.035 415 V CA -0.283 61.742 62.300 -0.457 0.000 0.873 415 V CB 1.525 33.050 31.823 -0.496 0.000 0.992 415 V HN 0.768 nan 8.190 nan 0.000 0.428 416 I N 4.468 124.534 120.570 -0.840 0.000 2.412 416 I HA 0.529 4.699 4.170 -0.000 0.000 0.296 416 I C -0.892 174.679 176.117 -0.910 0.000 0.987 416 I CA -0.188 60.653 61.300 -0.765 0.000 1.180 416 I CB 1.371 38.862 38.000 -0.847 0.000 1.340 416 I HN 0.412 nan 8.210 nan 0.000 0.455 417 F N 2.786 122.526 119.950 -0.350 0.000 2.522 417 F HA 0.513 5.040 4.527 -0.000 0.000 0.324 417 F C 0.513 176.106 175.800 -0.346 0.000 1.077 417 F CA -0.651 57.146 58.000 -0.338 0.000 0.944 417 F CB 2.185 41.044 39.000 -0.235 0.000 1.175 417 F HN 0.284 nan 8.300 nan 0.000 0.468 418 T N 1.033 115.448 114.554 -0.232 0.000 2.932 418 T HA 0.381 4.730 4.350 -0.000 0.000 0.289 418 T C -0.798 173.765 174.700 -0.228 0.000 1.039 418 T CA -0.527 61.417 62.100 -0.260 0.000 1.024 418 T CB 1.193 69.816 68.868 -0.409 0.000 1.090 418 T HN 0.668 nan 8.240 nan 0.000 0.496 419 Q N 2.832 122.449 119.800 -0.305 0.000 2.851 419 Q HA 0.359 4.698 4.340 -0.000 0.000 0.331 419 Q C -0.440 175.077 176.000 -0.805 0.000 0.979 419 Q CA -0.491 54.864 55.803 -0.747 0.000 0.955 419 Q CB 1.149 29.493 28.738 -0.656 0.000 1.298 419 Q HN 0.460 nan 8.270 nan 0.000 0.432 420 V N 1.052 120.665 119.914 -0.501 0.000 2.963 420 V HA -0.035 4.085 4.120 -0.000 0.000 0.306 420 V C 0.931 176.710 176.094 -0.524 0.000 1.077 420 V CA -0.002 62.112 62.300 -0.310 0.000 1.124 420 V CB 1.543 33.362 31.823 -0.006 0.000 0.987 420 V HN 0.595 nan 8.190 nan 0.000 0.487 421 S N 4.538 120.057 115.700 -0.302 0.000 2.670 421 S HA 0.021 4.490 4.470 -0.000 0.000 0.308 421 S C 0.869 175.417 174.600 -0.087 0.000 1.232 421 S CA 0.108 58.180 58.200 -0.214 0.000 1.126 421 S CB -0.885 62.272 63.200 -0.070 0.000 0.897 421 S HN 0.773 nan 8.310 nan 0.000 0.508 422 R N 2.695 123.241 120.500 0.076 0.000 3.336 422 R HA -0.157 4.183 4.340 -0.000 0.000 0.260 422 R C 0.197 176.664 176.300 0.279 0.000 1.032 422 R CA 0.832 57.148 56.100 0.361 0.000 0.693 422 R CB -1.556 28.863 30.300 0.198 0.000 1.134 422 R HN 0.725 nan 8.270 nan 0.000 0.433 423 Q N -1.442 118.542 119.800 0.306 0.000 1.958 423 Q HA 0.053 4.393 4.340 -0.000 0.000 0.154 423 Q C 0.221 176.458 176.000 0.394 0.000 0.549 423 Q CA 0.249 56.197 55.803 0.241 0.000 0.824 423 Q CB 0.163 28.957 28.738 0.092 0.000 1.031 423 Q HN 0.445 nan 8.270 nan 0.000 0.312 424 W N 2.920 124.218 121.300 -0.003 0.000 5.721 424 W HA -0.225 4.435 4.660 -0.000 0.000 0.406 424 W C 0.110 176.589 176.519 -0.066 0.000 1.576 424 W CA 0.535 57.846 57.345 -0.058 0.000 0.977 424 W CB -1.353 28.049 29.460 -0.097 0.000 2.771 424 W HN 0.197 nan 8.180 nan 0.000 1.435 425 R N 0.039 120.576 120.500 0.062 0.000 2.603 425 R HA 0.655 4.995 4.340 -0.000 0.000 0.231 425 R C 0.616 176.883 176.300 -0.055 0.000 1.263 425 R CA -1.098 55.017 56.100 0.025 0.000 1.102 425 R CB 0.667 30.985 30.300 0.029 0.000 1.527 425 R HN 0.094 nan 8.270 nan 0.000 0.554 426 M N 1.320 120.854 119.600 -0.110 0.000 2.233 426 M HA 0.146 4.626 4.480 -0.000 0.000 0.355 426 M C 0.136 176.052 176.300 -0.641 0.000 1.191 426 M CA 0.068 55.183 55.300 -0.309 0.000 1.101 426 M CB 1.137 33.575 32.600 -0.270 0.000 1.592 426 M HN 0.412 nan 8.290 nan 0.000 0.461 427 K N 3.166 123.062 120.400 -0.841 0.000 1.991 427 K HA 0.299 4.619 4.320 -0.000 0.000 0.208 427 K C 0.466 176.709 176.600 -0.595 0.000 1.038 427 K CA 1.061 56.722 56.287 -1.043 0.000 0.943 427 K CB 0.055 31.975 32.500 -0.967 0.000 0.736 427 K HN 0.793 nan 8.250 nan 0.000 0.440 428 A N 0.593 123.059 122.820 -0.589 0.000 2.573 428 A HA 0.467 4.787 4.320 -0.000 0.000 0.310 428 A C -1.725 175.598 177.584 -0.435 0.000 1.142 428 A CA -0.773 51.038 52.037 -0.377 0.000 0.620 428 A CB 1.095 19.971 19.000 -0.207 0.000 1.382 428 A HN 0.299 nan 8.150 nan 0.000 0.545 429 E N -1.752 118.343 120.200 -0.174 0.000 2.417 429 E HA 0.556 4.906 4.350 -0.000 0.000 0.280 429 E C -1.457 175.248 176.600 0.176 0.000 1.112 429 E CA -0.694 55.645 56.400 -0.102 0.000 0.863 429 E CB 1.427 30.998 29.700 -0.214 0.000 1.346 429 E HN 1.878 nan 8.360 nan 0.000 0.443 430 V N -1.704 118.315 119.914 0.175 0.000 2.752 430 V HA 0.584 4.703 4.120 -0.000 0.000 0.302 430 V C 0.202 176.294 176.094 -0.003 0.000 1.133 430 V CA -0.218 62.154 62.300 0.121 0.000 0.919 430 V CB 0.739 32.667 31.823 0.176 0.000 1.026 430 V HN 0.988 nan 8.190 nan 0.000 0.429 431 T N 2.418 116.907 114.554 -0.107 0.000 2.680 431 T HA 0.531 4.881 4.350 -0.000 0.000 0.314 431 T C 0.852 175.387 174.700 -0.277 0.000 1.045 431 T CA 0.437 62.454 62.100 -0.139 0.000 1.025 431 T CB 0.596 69.422 68.868 -0.070 0.000 1.000 431 T HN 1.714 nan 8.240 nan 0.000 0.535 432 G N -1.209 107.465 108.800 -0.209 0.000 2.588 432 G HA2 0.423 4.383 3.960 -0.000 0.000 0.281 432 G HA3 0.423 4.383 3.960 -0.000 0.000 0.281 432 G C 0.774 175.432 174.900 -0.403 0.000 1.236 432 G CA 0.006 44.850 45.100 -0.426 0.000 0.969 432 G HN 0.859 nan 8.290 nan 0.000 0.504 433 T N -2.054 112.226 114.554 -0.456 0.000 3.039 433 T HA 0.175 4.525 4.350 -0.000 0.000 0.250 433 T C 0.754 175.381 174.700 -0.122 0.000 1.052 433 T CA 0.987 62.890 62.100 -0.328 0.000 1.125 433 T CB -0.243 68.340 68.868 -0.476 0.000 0.908 433 T HN 0.558 nan 8.240 nan 0.000 0.473 434 Q N 0.172 119.940 119.800 -0.054 0.000 2.456 434 Q HA 0.462 4.802 4.340 -0.000 0.000 0.284 434 Q C -1.445 174.617 176.000 0.103 0.000 1.061 434 Q CA -0.862 54.995 55.803 0.089 0.000 0.799 434 Q CB 2.065 30.981 28.738 0.297 0.000 1.445 434 Q HN 0.415 nan 8.270 nan 0.000 0.411 435 I N 2.517 123.143 120.570 0.094 0.000 2.533 435 I HA 0.257 4.427 4.170 -0.000 0.000 0.284 435 I C 0.973 177.183 176.117 0.155 0.000 1.109 435 I CA 1.920 63.284 61.300 0.108 0.000 1.412 435 I CB 0.148 38.193 38.000 0.074 0.000 1.396 435 I HN 1.030 nan 8.210 nan 0.000 0.543 436 G N 4.095 113.003 108.800 0.179 0.000 2.234 436 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.260 436 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.260 436 G C 1.085 176.181 174.900 0.326 0.000 0.987 436 G CA 0.820 46.058 45.100 0.230 0.000 0.625 436 G HN 0.935 nan 8.290 nan 0.000 0.532 437 S N -1.039 114.852 115.700 0.320 0.000 2.402 437 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 437 S C 1.302 176.154 174.600 0.421 0.000 1.030 437 S CA 1.861 60.297 58.200 0.394 0.000 1.003 437 S CB -0.305 63.052 63.200 0.262 0.000 0.813 437 S HN 1.877 nan 8.310 nan 0.000 0.477 438 Y N -0.851 119.560 120.300 0.185 0.000 3.994 438 Y HA -0.217 4.333 4.550 -0.000 0.000 0.236 438 Y C -0.114 175.840 175.900 0.089 0.000 1.272 438 Y CA 0.014 58.192 58.100 0.131 0.000 1.940 438 Y CB -2.142 36.413 38.460 0.158 0.000 1.599 438 Y HN 0.472 nan 8.280 nan 0.000 0.686 439 F N 1.598 121.560 119.950 0.020 0.000 2.504 439 F HA 0.400 4.926 4.527 -0.000 0.000 0.365 439 F C 1.115 176.890 175.800 -0.041 0.000 1.140 439 F CA 1.796 59.777 58.000 -0.032 0.000 1.077 439 F CB 0.175 39.122 39.000 -0.089 0.000 1.106 439 F HN 0.337 nan 8.300 nan 0.000 0.578 440 G N 3.188 111.761 108.800 -0.379 0.000 3.254 440 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.219 440 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.219 440 G C 1.076 175.919 174.900 -0.094 0.000 0.964 440 G CA 0.006 44.936 45.100 -0.283 0.000 0.823 440 G HN 0.995 nan 8.290 nan 0.000 0.579 441 A N 0.695 123.535 122.820 0.034 0.000 1.863 441 A HA 0.222 4.542 4.320 -0.000 0.000 0.218 441 A C 1.609 179.272 177.584 0.132 0.000 1.233 441 A CA 2.505 54.640 52.037 0.163 0.000 0.655 441 A CB -0.677 18.414 19.000 0.151 0.000 0.839 441 A HN 1.102 nan 8.150 nan 0.000 0.454 442 S N -1.872 113.832 115.700 0.006 0.000 2.578 442 S HA 0.732 5.202 4.470 -0.000 0.000 0.301 442 S C -0.963 173.599 174.600 -0.062 0.000 1.091 442 S CA -0.437 57.759 58.200 -0.008 0.000 1.032 442 S CB 1.561 64.727 63.200 -0.055 0.000 1.064 442 S HN 0.334 nan 8.310 nan 0.000 0.508 443 L N 1.130 122.333 121.223 -0.033 0.000 2.472 443 L HA 0.621 4.961 4.340 -0.000 0.000 0.260 443 L C -1.274 175.583 176.870 -0.021 0.000 0.963 443 L CA -0.281 54.533 54.840 -0.044 0.000 0.829 443 L CB 2.136 44.176 42.059 -0.032 0.000 1.348 443 L HN 0.841 nan 8.230 nan 0.000 0.408 444 C N 1.952 121.239 119.300 -0.022 0.000 2.620 444 C HA 0.662 5.122 4.460 -0.000 0.000 0.356 444 C C -0.198 174.796 174.990 0.007 0.000 1.082 444 C CA -0.663 58.352 59.018 -0.005 0.000 1.293 444 C CB 0.593 28.323 27.740 -0.015 0.000 1.836 444 C HN 0.861 nan 8.230 nan 0.000 0.453 445 S N 4.900 120.612 115.700 0.020 0.000 2.455 445 S HA 0.591 5.061 4.470 -0.000 0.000 0.278 445 S C -0.299 174.323 174.600 0.036 0.000 1.216 445 S CA -0.412 57.806 58.200 0.031 0.000 1.055 445 S CB 1.164 64.384 63.200 0.034 0.000 0.939 445 S HN 1.092 nan 8.310 nan 0.000 0.494 446 V N 1.895 121.833 119.914 0.039 0.000 3.113 446 V HA 0.585 4.705 4.120 -0.000 0.000 0.316 446 V C -1.283 174.845 176.094 0.056 0.000 1.125 446 V CA -0.877 61.449 62.300 0.044 0.000 1.026 446 V CB 2.233 34.078 31.823 0.037 0.000 1.080 446 V HN 1.007 nan 8.190 nan 0.000 0.444 447 D N 2.695 123.131 120.400 0.060 0.000 2.432 447 D HA 0.148 4.788 4.640 -0.000 0.000 0.265 447 D C 0.791 177.134 176.300 0.072 0.000 1.160 447 D CA 0.002 54.043 54.000 0.067 0.000 0.911 447 D CB 1.541 42.379 40.800 0.063 0.000 1.052 447 D HN 0.323 nan 8.370 nan 0.000 0.508 448 V N 3.460 123.419 119.914 0.076 0.000 2.363 448 V HA -0.295 3.825 4.120 -0.000 0.000 0.254 448 V C 0.823 176.969 176.094 0.085 0.000 1.074 448 V CA 2.912 65.263 62.300 0.084 0.000 1.069 448 V CB -0.056 31.817 31.823 0.084 0.000 0.659 448 V HN 0.683 nan 8.190 nan 0.000 0.455 449 D N -1.759 118.687 120.400 0.078 0.000 2.540 449 D HA 0.276 4.916 4.640 -0.000 0.000 0.229 449 D C 0.497 176.836 176.300 0.064 0.000 1.258 449 D CA 0.428 54.471 54.000 0.073 0.000 1.158 449 D CB 0.594 41.435 40.800 0.068 0.000 1.178 449 D HN 0.132 nan 8.370 nan 0.000 0.541 450 S N -0.993 114.740 115.700 0.055 0.000 3.078 450 S HA 0.114 4.583 4.470 -0.000 0.000 0.248 450 S C -0.241 174.379 174.600 0.034 0.000 0.857 450 S CA -0.245 57.982 58.200 0.045 0.000 1.139 450 S CB 0.034 63.259 63.200 0.042 0.000 1.186 450 S HN 0.523 nan 8.310 nan 0.000 0.567 451 D N 1.313 121.735 120.400 0.037 0.000 2.363 451 D HA 0.152 4.792 4.640 -0.000 0.000 0.226 451 D C 1.484 177.791 176.300 0.011 0.000 1.020 451 D CA 0.965 54.978 54.000 0.023 0.000 0.892 451 D CB -0.438 40.380 40.800 0.030 0.000 0.900 451 D HN 0.474 nan 8.370 nan 0.000 0.531 452 G N -0.430 108.385 108.800 0.025 0.000 2.205 452 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 452 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 452 G C 0.271 175.190 174.900 0.032 0.000 0.980 452 G CA 0.315 45.427 45.100 0.019 0.000 0.632 452 G HN 0.407 nan 8.290 nan 0.000 0.533 453 S N 1.897 117.630 115.700 0.054 0.000 2.512 453 S HA 0.507 4.977 4.470 -0.000 0.000 0.291 453 S C 0.497 175.218 174.600 0.200 0.000 1.151 453 S CA 0.112 58.387 58.200 0.124 0.000 1.120 453 S CB 1.126 64.378 63.200 0.087 0.000 1.029 453 S HN 0.510 nan 8.310 nan 0.000 0.485 454 T N 3.708 118.362 114.554 0.167 0.000 2.367 454 T HA -0.120 4.230 4.350 -0.000 0.000 0.207 454 T C 0.703 175.485 174.700 0.137 0.000 1.065 454 T CA 0.717 62.895 62.100 0.131 0.000 1.252 454 T CB -0.066 68.867 68.868 0.108 0.000 1.023 454 T HN 0.471 nan 8.240 nan 0.000 0.462 455 D N 1.572 122.035 120.400 0.104 0.000 2.259 455 D HA 0.204 4.844 4.640 -0.000 0.000 0.216 455 D C 0.750 177.085 176.300 0.058 0.000 0.961 455 D CA 0.749 54.803 54.000 0.090 0.000 0.878 455 D CB 0.208 41.060 40.800 0.087 0.000 1.009 455 D HN 0.587 nan 8.370 nan 0.000 0.490 456 L N -2.943 118.313 121.223 0.055 0.000 2.389 456 L HA 0.758 5.098 4.340 -0.000 0.000 0.249 456 L C -1.028 175.874 176.870 0.053 0.000 1.083 456 L CA -1.106 53.761 54.840 0.045 0.000 0.876 456 L CB 2.038 44.115 42.059 0.029 0.000 1.489 456 L HN -0.361 nan 8.230 nan 0.000 0.412 457 V N 1.131 121.081 119.914 0.061 0.000 2.668 457 V HA 0.507 4.626 4.120 -0.000 0.000 0.304 457 V C -0.426 175.690 176.094 0.037 0.000 1.071 457 V CA -0.322 62.016 62.300 0.064 0.000 0.894 457 V CB 1.829 33.728 31.823 0.127 0.000 1.008 457 V HN 0.695 nan 8.190 nan 0.000 0.425 458 L N 5.131 126.353 121.223 -0.002 0.000 2.399 458 L HA 0.676 5.016 4.340 -0.000 0.000 0.265 458 L C -0.576 176.248 176.870 -0.077 0.000 1.089 458 L CA -0.469 54.345 54.840 -0.043 0.000 0.802 458 L CB 1.563 43.578 42.059 -0.074 0.000 1.180 458 L HN 0.450 nan 8.230 nan 0.000 0.454 459 I N -0.054 120.439 120.570 -0.128 0.000 2.865 459 I HA 0.536 4.706 4.170 -0.000 0.000 0.302 459 I C -0.079 175.880 176.117 -0.264 0.000 1.140 459 I CA -0.567 60.578 61.300 -0.258 0.000 1.021 459 I CB 2.366 40.078 38.000 -0.480 0.000 1.233 459 I HN 0.606 nan 8.210 nan 0.000 0.427 460 G N 2.431 111.061 108.800 -0.282 0.000 2.420 460 G HA2 0.751 4.711 3.960 -0.000 0.000 0.331 460 G HA3 0.751 4.711 3.960 -0.000 0.000 0.331 460 G C -0.904 173.910 174.900 -0.143 0.000 1.168 460 G CA -0.558 44.419 45.100 -0.204 0.000 0.936 460 G HN 0.809 nan 8.290 nan 0.000 0.479 461 A N 2.673 125.449 122.820 -0.073 0.000 3.411 461 A HA 0.610 4.930 4.320 -0.000 0.000 0.238 461 A C -1.949 175.651 177.584 0.026 0.000 1.140 461 A CA -0.568 51.499 52.037 0.050 0.000 0.980 461 A CB 1.030 20.101 19.000 0.119 0.000 1.371 461 A HN 0.350 nan 8.150 nan 0.000 0.700 462 P HA -0.162 nan 4.420 nan 0.000 0.218 462 P C 0.277 177.424 177.300 -0.255 0.000 1.146 462 P CA 1.424 64.341 63.100 -0.305 0.000 0.820 462 P CB -0.066 31.252 31.700 -0.637 0.000 0.778 463 H N -2.271 116.888 119.070 0.148 0.000 2.432 463 H HA 0.310 4.866 4.556 -0.000 0.000 0.226 463 H C -0.607 174.940 175.328 0.365 0.000 1.634 463 H CA -0.508 55.653 56.048 0.189 0.000 1.253 463 H CB -0.524 29.294 29.762 0.094 0.000 1.584 463 H HN 0.170 nan 8.280 nan 0.000 0.545 464 Y N 2.316 122.811 120.300 0.324 0.000 2.609 464 Y HA 0.489 5.039 4.550 -0.000 0.000 0.342 464 Y C -1.484 174.684 175.900 0.447 0.000 1.058 464 Y CA -1.396 56.900 58.100 0.325 0.000 1.055 464 Y CB 1.651 40.226 38.460 0.192 0.000 1.292 464 Y HN 0.285 nan 8.280 nan 0.000 0.476 465 Y N 0.500 120.241 120.300 -0.933 0.000 3.045 465 Y HA 0.395 4.945 4.550 -0.000 0.000 0.387 465 Y C -0.602 174.921 175.900 -0.629 0.000 1.306 465 Y CA -0.639 57.072 58.100 -0.648 0.000 1.121 465 Y CB 0.422 38.775 38.460 -0.178 0.000 2.062 465 Y HN 0.564 nan 8.280 nan 0.000 0.416 466 E N -1.661 118.387 120.200 -0.254 0.000 2.662 466 E HA 0.180 4.530 4.350 -0.000 0.000 0.205 466 E C 0.336 176.975 176.600 0.066 0.000 1.003 466 E CA 0.140 56.403 56.400 -0.228 0.000 1.685 466 E CB 0.276 29.880 29.700 -0.160 0.000 2.386 466 E HN 0.464 nan 8.360 nan 0.000 1.092 467 Q N 0.311 120.196 119.800 0.141 0.000 2.427 467 Q HA 0.244 4.584 4.340 -0.000 0.000 0.249 467 Q C -0.086 175.974 176.000 0.100 0.000 0.783 467 Q CA 0.937 56.815 55.803 0.125 0.000 0.978 467 Q CB 1.953 30.727 28.738 0.060 0.000 1.273 467 Q HN 0.084 nan 8.270 nan 0.000 0.524 468 T N 1.726 116.340 114.554 0.098 0.000 2.812 468 T HA 0.430 4.780 4.350 -0.000 0.000 0.282 468 T C 0.101 174.857 174.700 0.094 0.000 0.990 468 T CA -0.414 61.715 62.100 0.048 0.000 0.960 468 T CB 1.570 70.465 68.868 0.046 0.000 0.948 468 T HN -0.040 nan 8.240 nan 0.000 0.438 469 R N 2.050 122.568 120.500 0.032 0.000 4.031 469 R HA 0.210 4.550 4.340 -0.000 0.000 0.269 469 R C 1.851 178.271 176.300 0.201 0.000 1.668 469 R CA -0.303 55.866 56.100 0.114 0.000 1.432 469 R CB -0.269 30.049 30.300 0.029 0.000 1.374 469 R HN 0.866 nan 8.270 nan 0.000 0.681 470 G N 0.072 108.989 108.800 0.194 0.000 2.418 470 G HA2 0.026 3.986 3.960 -0.000 0.000 0.217 470 G HA3 0.026 3.986 3.960 -0.000 0.000 0.217 470 G C 0.665 175.753 174.900 0.313 0.000 1.158 470 G CA 0.804 46.046 45.100 0.236 0.000 0.771 470 G HN 0.615 nan 8.290 nan 0.000 0.545 471 G N -2.041 106.963 108.800 0.340 0.000 2.334 471 G HA2 0.425 4.385 3.960 -0.000 0.000 0.315 471 G HA3 0.425 4.385 3.960 -0.000 0.000 0.315 471 G C -1.742 173.428 174.900 0.451 0.000 1.284 471 G CA 0.034 45.357 45.100 0.372 0.000 0.985 471 G HN 0.739 nan 8.290 nan 0.000 0.504 472 Q N -0.960 119.039 119.800 0.332 0.000 2.380 472 Q HA 0.578 4.918 4.340 -0.000 0.000 0.245 472 Q C -1.260 174.770 176.000 0.050 0.000 0.893 472 Q CA -0.509 55.474 55.803 0.299 0.000 0.922 472 Q CB 1.908 30.862 28.738 0.361 0.000 1.432 472 Q HN 1.123 nan 8.270 nan 0.000 0.434 473 V N 2.209 122.126 119.914 0.006 0.000 2.581 473 V HA 0.843 4.962 4.120 -0.000 0.000 0.303 473 V C -0.485 175.635 176.094 0.043 0.000 1.041 473 V CA -0.655 61.575 62.300 -0.117 0.000 0.907 473 V CB 1.986 33.605 31.823 -0.340 0.000 0.994 473 V HN 0.733 nan 8.190 nan 0.000 0.442 474 S N 2.989 118.706 115.700 0.028 0.000 2.605 474 S HA 0.518 4.988 4.470 -0.000 0.000 0.308 474 S C -0.949 173.685 174.600 0.057 0.000 1.113 474 S CA -0.474 57.799 58.200 0.122 0.000 1.049 474 S CB 1.518 64.880 63.200 0.271 0.000 1.001 474 S HN 0.711 nan 8.310 nan 0.000 0.480 475 V N 6.128 126.077 119.914 0.058 0.000 2.461 475 V HA 0.576 4.696 4.120 -0.000 0.000 0.275 475 V C -0.757 175.326 176.094 -0.019 0.000 1.047 475 V CA -0.097 62.212 62.300 0.015 0.000 0.955 475 V CB 0.149 31.983 31.823 0.017 0.000 0.988 475 V HN 1.064 nan 8.190 nan 0.000 0.471 476 c N 8.034 126.599 118.600 -0.058 0.000 2.949 476 c HA 0.424 4.994 4.570 -0.000 0.000 0.306 476 c C -2.341 171.652 174.090 -0.162 0.000 1.045 476 c CA -1.131 55.066 56.329 -0.220 0.000 1.414 476 c CB 0.658 43.007 42.510 -0.267 0.000 1.854 476 c HN 0.747 nan 8.230 nan 0.000 0.487 477 P HA 0.081 nan 4.420 nan 0.000 0.273 477 P C -0.263 177.020 177.300 -0.029 0.000 1.258 477 P CA -0.265 62.760 63.100 -0.126 0.000 0.802 477 P CB 0.506 32.108 31.700 -0.164 0.000 1.040 478 L N 1.202 122.445 121.223 0.033 0.000 2.709 478 L HA 0.449 4.789 4.340 -0.000 0.000 0.236 478 L C -2.417 174.420 176.870 -0.055 0.000 1.266 478 L CA -2.397 52.516 54.840 0.122 0.000 0.987 478 L CB -0.504 41.549 42.059 -0.011 0.000 1.306 478 L HN 0.138 nan 8.230 nan 0.000 0.467 479 P HA 0.059 nan 4.420 nan 0.000 0.263 479 P C -0.716 176.520 177.300 -0.106 0.000 1.175 479 P CA 0.178 63.176 63.100 -0.170 0.000 0.761 479 P CB 0.354 31.777 31.700 -0.461 0.000 0.794 480 R N 2.175 122.601 120.500 -0.123 0.000 2.407 480 R HA 0.654 4.994 4.340 -0.000 0.000 0.303 480 R C -0.265 176.017 176.300 -0.030 0.000 0.981 480 R CA 0.009 56.020 56.100 -0.148 0.000 0.905 480 R CB 0.478 30.578 30.300 -0.334 0.000 1.099 480 R HN 0.698 nan 8.270 nan 0.000 0.459 481 G N 4.058 112.876 108.800 0.029 0.000 2.551 481 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.604 481 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.604 481 G C -0.943 174.061 174.900 0.174 0.000 1.116 481 G CA -0.714 44.399 45.100 0.021 0.000 1.285 481 G HN 0.367 nan 8.290 nan 0.000 0.586 482 W N 1.764 123.027 121.300 -0.061 0.000 2.055 482 W HA 0.450 5.110 4.660 -0.000 0.000 0.356 482 W C 1.780 178.295 176.519 -0.007 0.000 1.331 482 W CA 0.213 57.519 57.345 -0.064 0.000 1.364 482 W CB -0.164 29.246 29.460 -0.082 0.000 1.274 482 W HN 0.897 nan 8.180 nan 0.000 0.645 483 R N -1.270 119.375 120.500 0.242 0.000 3.922 483 R HA -0.238 4.101 4.340 -0.000 0.000 0.447 483 R C 0.309 176.717 176.300 0.180 0.000 1.035 483 R CA 1.474 57.673 56.100 0.165 0.000 1.289 483 R CB -1.164 29.228 30.300 0.153 0.000 1.906 483 R HN 0.497 nan 8.270 nan 0.000 0.540 484 R N -0.144 120.496 120.500 0.233 0.000 2.533 484 R HA 0.410 4.749 4.340 -0.000 0.000 0.288 484 R C -2.045 174.508 176.300 0.421 0.000 1.039 484 R CA -0.608 55.690 56.100 0.328 0.000 0.909 484 R CB 1.392 31.900 30.300 0.346 0.000 1.195 484 R HN 0.117 nan 8.270 nan 0.000 0.438 485 W N 6.367 127.792 121.300 0.209 0.000 4.071 485 W HA 0.328 4.988 4.660 -0.000 0.000 0.274 485 W C -2.361 174.218 176.519 0.101 0.000 1.278 485 W CA -0.698 56.583 57.345 -0.107 0.000 1.258 485 W CB 0.786 30.123 29.460 -0.205 0.000 1.236 485 W HN 0.579 nan 8.180 nan 0.000 0.530 486 W N 4.864 125.757 121.300 -0.679 0.000 2.619 486 W HA 0.599 5.259 4.660 -0.000 0.000 0.327 486 W C -0.357 175.647 176.519 -0.859 0.000 1.027 486 W CA -1.173 55.820 57.345 -0.587 0.000 1.233 486 W CB 0.565 29.839 29.460 -0.310 0.000 1.370 486 W HN 0.323 nan 8.180 nan 0.000 0.453 487 c N 2.163 120.390 118.600 -0.621 0.000 2.485 487 c HA -0.086 4.483 4.570 -0.000 0.000 0.283 487 c C 0.800 174.809 174.090 -0.135 0.000 1.478 487 c CA 0.888 56.958 56.329 -0.432 0.000 1.741 487 c CB -1.989 40.416 42.510 -0.175 0.000 1.675 487 c HN 0.730 nan 8.230 nan 0.000 0.573 488 D N 0.173 120.578 120.400 0.008 0.000 2.634 488 D HA 0.370 5.009 4.640 -0.000 0.000 0.318 488 D C 0.282 176.746 176.300 0.273 0.000 1.226 488 D CA -0.083 53.983 54.000 0.111 0.000 0.899 488 D CB 0.195 41.027 40.800 0.054 0.000 1.025 488 D HN 0.240 nan 8.370 nan 0.000 0.501 489 A N 2.243 125.240 122.820 0.294 0.000 3.063 489 A HA 0.491 4.811 4.320 -0.000 0.000 0.263 489 A C 1.368 179.021 177.584 0.114 0.000 1.736 489 A CA -0.205 51.975 52.037 0.237 0.000 1.408 489 A CB -0.785 18.342 19.000 0.212 0.000 1.108 489 A HN 0.458 nan 8.150 nan 0.000 0.621 490 V N -0.530 119.438 119.914 0.091 0.000 0.683 490 V HA -0.395 3.725 4.120 -0.000 0.000 0.092 490 V C 1.221 177.382 176.094 0.113 0.000 0.907 490 V CA 2.202 64.546 62.300 0.074 0.000 3.123 490 V CB -2.086 29.760 31.823 0.037 0.000 0.264 490 V HN 1.300 nan 8.190 nan 0.000 0.215 491 L N 0.473 121.736 121.223 0.067 0.000 2.543 491 L HA 0.752 5.092 4.340 -0.000 0.000 0.231 491 L C -0.369 176.581 176.870 0.133 0.000 1.194 491 L CA 0.036 54.870 54.840 -0.010 0.000 0.823 491 L CB 0.462 42.487 42.059 -0.058 0.000 1.374 491 L HN 0.992 nan 8.230 nan 0.000 0.507 492 Y N -2.506 117.834 120.300 0.066 0.000 2.262 492 Y HA 0.672 5.222 4.550 -0.000 0.000 0.317 492 Y C -0.253 175.716 175.900 0.114 0.000 1.230 492 Y CA -1.129 57.012 58.100 0.069 0.000 1.166 492 Y CB -0.111 38.398 38.460 0.080 0.000 1.254 492 Y HN 0.923 nan 8.280 nan 0.000 0.405 493 G N 2.366 111.271 108.800 0.175 0.000 2.503 493 G HA2 0.563 4.523 3.960 -0.000 0.000 0.257 493 G HA3 0.563 4.523 3.960 -0.000 0.000 0.257 493 G C -0.553 174.607 174.900 0.433 0.000 1.214 493 G CA -0.192 45.043 45.100 0.225 0.000 0.839 493 G HN 0.817 nan 8.290 nan 0.000 0.559 494 E N -0.602 119.737 120.200 0.231 0.000 2.429 494 E HA 0.559 4.909 4.350 -0.000 0.000 0.141 494 E C -0.978 175.352 176.600 -0.450 0.000 1.003 494 E CA -0.730 55.711 56.400 0.070 0.000 0.817 494 E CB 1.182 31.016 29.700 0.223 0.000 2.152 494 E HN 0.400 nan 8.360 nan 0.000 0.442 495 Q N -0.804 118.880 119.800 -0.194 0.000 2.791 495 Q HA 0.380 4.720 4.340 -0.000 0.000 0.280 495 Q C -1.690 174.333 176.000 0.038 0.000 0.928 495 Q CA 0.017 55.732 55.803 -0.148 0.000 0.819 495 Q CB 1.590 30.153 28.738 -0.292 0.000 1.552 495 Q HN 0.583 nan 8.270 nan 0.000 0.410 496 G N 1.455 110.308 108.800 0.089 0.000 3.636 496 G HA2 0.418 4.378 3.960 -0.000 0.000 0.260 496 G HA3 0.418 4.378 3.960 -0.000 0.000 0.260 496 G C -0.990 174.015 174.900 0.174 0.000 1.014 496 G CA 0.294 45.460 45.100 0.111 0.000 1.797 496 G HN 0.547 nan 8.290 nan 0.000 0.637 497 H N 0.411 119.520 119.070 0.065 0.000 3.275 497 H HA 0.390 4.946 4.556 -0.000 0.000 0.326 497 H C -2.738 172.650 175.328 0.100 0.000 1.096 497 H CA -1.088 55.005 56.048 0.076 0.000 1.579 497 H CB 2.214 32.035 29.762 0.098 0.000 1.834 497 H HN 0.118 nan 8.280 nan 0.000 0.510 498 P HA -0.115 nan 4.420 nan 0.000 0.270 498 P C -0.296 177.038 177.300 0.057 0.000 1.221 498 P CA 0.221 63.252 63.100 -0.114 0.000 0.788 498 P CB 0.370 31.896 31.700 -0.290 0.000 0.904 499 W N 0.287 121.562 121.300 -0.043 0.000 6.351 499 W HA -0.119 4.541 4.660 -0.000 0.000 0.403 499 W C 1.261 177.858 176.519 0.130 0.000 1.540 499 W CA 1.277 58.639 57.345 0.029 0.000 1.055 499 W CB -2.437 27.017 29.460 -0.010 0.000 2.721 499 W HN 0.565 nan 8.180 nan 0.000 1.542 500 G N -0.881 108.140 108.800 0.369 0.000 2.833 500 G HA2 0.102 4.062 3.960 -0.000 0.000 0.210 500 G HA3 0.102 4.062 3.960 -0.000 0.000 0.210 500 G C 0.914 175.983 174.900 0.283 0.000 1.139 500 G CA 0.042 45.368 45.100 0.377 0.000 0.771 500 G HN 0.240 nan 8.290 nan 0.000 0.535 501 R N -0.839 119.784 120.500 0.206 0.000 3.205 501 R HA -0.196 4.144 4.340 -0.000 0.000 0.249 501 R C -0.767 175.625 176.300 0.154 0.000 0.937 501 R CA 0.233 56.376 56.100 0.071 0.000 0.641 501 R CB -2.160 28.150 30.300 0.016 0.000 1.114 501 R HN 0.429 nan 8.270 nan 0.000 0.451 502 F N 0.540 120.529 119.950 0.064 0.000 2.404 502 F HA 0.427 4.954 4.527 -0.000 0.000 0.358 502 F C 1.238 177.052 175.800 0.023 0.000 1.120 502 F CA 0.988 59.038 58.000 0.084 0.000 1.144 502 F CB 1.130 40.187 39.000 0.094 0.000 1.133 502 F HN 0.372 nan 8.300 nan 0.000 0.495 503 G N 3.498 111.972 108.800 -0.542 0.000 2.183 503 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.168 503 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.168 503 G C 0.864 175.612 174.900 -0.253 0.000 1.008 503 G CA 0.011 44.801 45.100 -0.518 0.000 0.677 503 G HN 1.145 nan 8.290 nan 0.000 0.498 504 A N -0.473 122.247 122.820 -0.166 0.000 1.948 504 A HA 0.578 4.898 4.320 -0.000 0.000 0.220 504 A C 1.605 179.142 177.584 -0.079 0.000 1.177 504 A CA 2.752 54.723 52.037 -0.111 0.000 0.636 504 A CB -0.198 18.763 19.000 -0.066 0.000 0.815 504 A HN 2.338 nan 8.150 nan 0.000 0.449 505 A N -2.480 120.288 122.820 -0.088 0.000 2.557 505 A HA 0.724 5.044 4.320 -0.000 0.000 0.292 505 A C -1.467 176.070 177.584 -0.079 0.000 1.139 505 A CA -0.096 51.900 52.037 -0.068 0.000 0.665 505 A CB 0.640 19.610 19.000 -0.051 0.000 1.285 505 A HN 1.528 nan 8.150 nan 0.000 0.433 506 L N -3.541 117.650 121.223 -0.054 0.000 3.025 506 L HA 0.823 5.162 4.340 -0.000 0.000 0.240 506 L C -0.666 176.192 176.870 -0.021 0.000 0.985 506 L CA -0.162 54.652 54.840 -0.042 0.000 1.029 506 L CB 1.016 43.028 42.059 -0.079 0.000 1.519 506 L HN 1.217 nan 8.230 nan 0.000 0.422 507 T N -0.195 114.357 114.554 -0.003 0.000 2.894 507 T HA 0.623 4.973 4.350 -0.000 0.000 0.309 507 T C -1.339 173.372 174.700 0.019 0.000 1.208 507 T CA -0.238 61.867 62.100 0.009 0.000 1.016 507 T CB 2.105 70.982 68.868 0.015 0.000 1.192 507 T HN 1.418 nan 8.240 nan 0.000 0.491 508 V N 5.444 125.372 119.914 0.023 0.000 2.585 508 V HA 0.306 4.426 4.120 -0.000 0.000 0.296 508 V C 0.738 176.852 176.094 0.033 0.000 1.035 508 V CA 0.296 62.614 62.300 0.031 0.000 1.084 508 V CB 0.810 32.653 31.823 0.033 0.000 0.953 508 V HN 0.857 nan 8.190 nan 0.000 0.483 509 L N 7.114 128.360 121.223 0.038 0.000 2.500 509 L HA 0.668 5.008 4.340 -0.000 0.000 0.219 509 L C 1.014 177.906 176.870 0.036 0.000 1.057 509 L CA 1.816 56.678 54.840 0.036 0.000 0.854 509 L CB -0.401 41.681 42.059 0.037 0.000 1.078 509 L HN 1.201 nan 8.230 nan 0.000 0.480 510 G N -0.207 108.620 108.800 0.045 0.000 2.545 510 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 510 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 510 G C -0.905 174.030 174.900 0.058 0.000 1.314 510 G CA -0.051 45.078 45.100 0.049 0.000 0.906 510 G HN 0.321 nan 8.290 nan 0.000 0.563 511 D N 0.916 121.349 120.400 0.056 0.000 2.352 511 D HA 0.367 5.007 4.640 -0.000 0.000 0.245 511 D C 1.683 178.013 176.300 0.050 0.000 1.224 511 D CA 0.470 54.509 54.000 0.066 0.000 0.879 511 D CB 1.100 41.940 40.800 0.067 0.000 1.057 511 D HN 1.067 nan 8.370 nan 0.000 0.491 512 V N 2.190 122.131 119.914 0.045 0.000 3.151 512 V HA 0.100 4.219 4.120 -0.000 0.000 0.241 512 V C 1.377 177.468 176.094 -0.005 0.000 1.173 512 V CA 0.620 62.925 62.300 0.008 0.000 1.154 512 V CB -0.360 31.450 31.823 -0.021 0.000 0.898 512 V HN 0.471 nan 8.190 nan 0.000 0.473 513 N N 1.299 119.997 118.700 -0.003 0.000 2.280 513 N HA 0.287 5.027 4.740 -0.000 0.000 0.192 513 N C 1.484 177.152 175.510 0.263 0.000 1.109 513 N CA 0.779 53.852 53.050 0.037 0.000 0.855 513 N CB 0.447 38.841 38.487 -0.155 0.000 0.974 513 N HN 0.966 nan 8.380 nan 0.000 0.482 514 G N 1.093 110.015 108.800 0.203 0.000 2.148 514 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 514 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 514 G C -0.090 175.023 174.900 0.356 0.000 0.981 514 G CA 0.423 45.666 45.100 0.239 0.000 0.670 514 G HN 0.670 nan 8.290 nan 0.000 0.528 515 D N -0.004 120.581 120.400 0.308 0.000 2.434 515 D HA 0.287 4.927 4.640 -0.000 0.000 0.232 515 D C 1.355 177.756 176.300 0.168 0.000 1.166 515 D CA -0.163 53.993 54.000 0.260 0.000 0.830 515 D CB 0.012 40.874 40.800 0.104 0.000 0.960 515 D HN 0.282 nan 8.370 nan 0.000 0.497 516 K N -0.574 119.917 120.400 0.152 0.000 3.426 516 K HA -0.190 4.130 4.320 -0.000 0.000 0.315 516 K C -0.410 176.252 176.600 0.104 0.000 1.293 516 K CA 0.525 56.880 56.287 0.112 0.000 0.955 516 K CB -1.972 30.590 32.500 0.102 0.000 1.238 516 K HN 0.431 nan 8.250 nan 0.000 0.441 517 L N 1.914 123.207 121.223 0.116 0.000 2.324 517 L HA 0.187 4.527 4.340 -0.000 0.000 0.274 517 L C 0.824 177.776 176.870 0.137 0.000 1.012 517 L CA -0.403 54.510 54.840 0.121 0.000 0.859 517 L CB 1.719 43.854 42.059 0.126 0.000 1.224 517 L HN -0.041 nan 8.230 nan 0.000 0.429 518 T N 1.867 116.490 114.554 0.115 0.000 2.906 518 T HA -0.017 4.333 4.350 -0.000 0.000 0.329 518 T C -0.350 174.430 174.700 0.133 0.000 1.091 518 T CA 0.372 62.536 62.100 0.108 0.000 1.127 518 T CB 0.099 69.018 68.868 0.085 0.000 1.035 518 T HN 0.487 nan 8.240 nan 0.000 0.547 519 D N 1.629 122.097 120.400 0.114 0.000 2.671 519 D HA 0.531 5.171 4.640 -0.000 0.000 0.232 519 D C -0.374 175.963 176.300 0.062 0.000 1.114 519 D CA -0.325 53.732 54.000 0.095 0.000 0.858 519 D CB 1.895 42.754 40.800 0.098 0.000 1.544 519 D HN 0.501 nan 8.370 nan 0.000 0.471 520 V N -1.582 118.372 119.914 0.065 0.000 2.960 520 V HA 0.840 4.960 4.120 -0.000 0.000 0.315 520 V C -0.318 175.842 176.094 0.110 0.000 1.087 520 V CA -0.729 61.612 62.300 0.070 0.000 0.982 520 V CB 1.819 33.669 31.823 0.046 0.000 1.039 520 V HN 0.285 nan 8.190 nan 0.000 0.437 521 V N 2.918 122.888 119.914 0.093 0.000 2.715 521 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 521 V C -0.317 175.846 176.094 0.116 0.000 1.054 521 V CA -0.477 61.901 62.300 0.130 0.000 0.928 521 V CB 1.732 33.605 31.823 0.083 0.000 1.007 521 V HN 0.843 nan 8.190 nan 0.000 0.437 522 I N 1.832 122.523 120.570 0.202 0.000 2.607 522 I HA 0.567 4.737 4.170 -0.000 0.000 0.290 522 I C 0.416 176.685 176.117 0.254 0.000 1.129 522 I CA -0.423 60.974 61.300 0.162 0.000 1.042 522 I CB 2.247 40.329 38.000 0.137 0.000 1.242 522 I HN 0.760 nan 8.210 nan 0.000 0.421 523 G N 3.613 112.471 108.800 0.096 0.000 2.477 523 G HA2 0.737 4.697 3.960 -0.000 0.000 0.304 523 G HA3 0.737 4.697 3.960 -0.000 0.000 0.304 523 G C -0.587 174.442 174.900 0.215 0.000 1.175 523 G CA -0.413 44.731 45.100 0.074 0.000 0.907 523 G HN 0.841 nan 8.290 nan 0.000 0.509 524 A N 1.270 124.214 122.820 0.208 0.000 2.913 524 A HA 0.594 4.914 4.320 -0.000 0.000 0.284 524 A C -2.333 175.387 177.584 0.226 0.000 1.273 524 A CA -0.588 51.634 52.037 0.309 0.000 0.899 524 A CB 1.274 20.645 19.000 0.618 0.000 1.444 524 A HN 0.323 nan 8.150 nan 0.000 0.586 525 P HA 0.050 nan 4.420 nan 0.000 0.239 525 P C 1.379 178.824 177.300 0.241 0.000 1.184 525 P CA 1.623 64.856 63.100 0.223 0.000 0.760 525 P CB 0.348 32.170 31.700 0.203 0.000 0.884 526 G N -1.343 107.586 108.800 0.216 0.000 2.986 526 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.213 526 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.213 526 G C 0.584 175.656 174.900 0.287 0.000 1.156 526 G CA -0.073 45.164 45.100 0.228 0.000 0.763 526 G HN 0.114 nan 8.290 nan 0.000 0.547 527 E N 1.116 121.467 120.200 0.252 0.000 2.461 527 E HA 0.097 4.447 4.350 -0.000 0.000 0.263 527 E C 0.770 177.390 176.600 0.033 0.000 1.143 527 E CA 0.151 56.632 56.400 0.134 0.000 0.994 527 E CB 0.446 30.173 29.700 0.045 0.000 0.973 527 E HN 0.517 nan 8.360 nan 0.000 0.457 528 E N 0.040 120.008 120.200 -0.387 0.000 3.675 528 E HA -0.288 4.062 4.350 -0.000 0.000 0.252 528 E C -0.113 176.613 176.600 0.211 0.000 1.502 528 E CA 1.513 57.838 56.400 -0.126 0.000 2.293 528 E CB -0.583 29.075 29.700 -0.071 0.000 2.078 528 E HN 0.702 nan 8.360 nan 0.000 0.461 529 E N 2.273 122.565 120.200 0.153 0.000 1.999 529 E HA 0.075 4.425 4.350 -0.000 0.000 0.296 529 E C 0.309 177.012 176.600 0.172 0.000 1.187 529 E CA 0.539 57.041 56.400 0.170 0.000 1.229 529 E CB 0.078 29.848 29.700 0.117 0.000 1.131 529 E HN 0.573 nan 8.360 nan 0.000 0.478 530 N N 1.342 120.174 118.700 0.220 0.000 2.946 530 N HA -0.219 4.521 4.740 -0.000 0.000 0.228 530 N C -0.434 175.213 175.510 0.229 0.000 0.873 530 N CA 1.209 54.395 53.050 0.227 0.000 1.029 530 N CB -0.564 38.053 38.487 0.218 0.000 1.047 530 N HN 0.413 nan 8.380 nan 0.000 0.612 531 R N 0.567 121.168 120.500 0.168 0.000 2.905 531 R HA 0.328 4.668 4.340 -0.000 0.000 0.273 531 R C 1.272 177.690 176.300 0.197 0.000 1.033 531 R CA 0.794 56.975 56.100 0.135 0.000 1.182 531 R CB -0.646 29.688 30.300 0.057 0.000 1.097 531 R HN 0.320 nan 8.270 nan 0.000 0.504 532 G N -1.110 107.832 108.800 0.236 0.000 2.557 532 G HA2 0.572 4.531 3.960 -0.000 0.000 0.292 532 G HA3 0.572 4.531 3.960 -0.000 0.000 0.292 532 G C -1.049 174.100 174.900 0.416 0.000 1.237 532 G CA 0.131 45.514 45.100 0.471 0.000 0.978 532 G HN 0.684 nan 8.290 nan 0.000 0.498 533 A N -1.932 121.199 122.820 0.519 0.000 2.590 533 A HA 0.635 4.955 4.320 -0.000 0.000 0.294 533 A C -1.396 176.246 177.584 0.097 0.000 1.046 533 A CA -0.355 51.846 52.037 0.273 0.000 0.684 533 A CB 1.143 20.154 19.000 0.018 0.000 1.279 533 A HN 1.509 nan 8.150 nan 0.000 0.415 534 V N 0.418 120.279 119.914 -0.089 0.000 3.147 534 V HA 0.730 4.850 4.120 -0.000 0.000 0.306 534 V C -1.472 174.423 176.094 -0.332 0.000 1.209 534 V CA -0.629 61.609 62.300 -0.104 0.000 1.023 534 V CB 2.111 33.939 31.823 0.008 0.000 1.059 534 V HN 0.920 nan 8.190 nan 0.000 0.435 535 Y N 1.914 122.322 120.300 0.180 0.000 2.576 535 Y HA 0.833 5.382 4.550 -0.000 0.000 0.346 535 Y C -0.672 175.366 175.900 0.230 0.000 1.018 535 Y CA -0.959 57.242 58.100 0.167 0.000 1.050 535 Y CB 2.104 40.772 38.460 0.346 0.000 1.280 535 Y HN 0.507 nan 8.280 nan 0.000 0.474 536 L N 2.370 123.766 121.223 0.290 0.000 2.406 536 L HA 0.692 5.031 4.340 -0.000 0.000 0.272 536 L C -2.031 174.825 176.870 -0.022 0.000 0.980 536 L CA -0.612 54.332 54.840 0.173 0.000 0.831 536 L CB 0.594 42.681 42.059 0.048 0.000 1.253 536 L HN 0.456 nan 8.230 nan 0.000 0.406 537 F N 2.785 122.654 119.950 -0.134 0.000 2.639 537 F HA 0.697 5.224 4.527 -0.000 0.000 0.339 537 F C 0.124 175.649 175.800 -0.458 0.000 1.071 537 F CA -0.649 57.246 58.000 -0.175 0.000 0.994 537 F CB 1.568 40.587 39.000 0.032 0.000 1.341 537 F HN 0.404 nan 8.300 nan 0.000 0.498 538 H N -1.005 118.249 119.070 0.306 0.000 2.895 538 H HA 0.494 5.050 4.556 -0.000 0.000 0.373 538 H C 0.018 175.452 175.328 0.176 0.000 1.174 538 H CA -0.963 55.203 56.048 0.197 0.000 1.144 538 H CB 1.541 31.397 29.762 0.156 0.000 1.793 538 H HN 0.771 nan 8.280 nan 0.000 0.551 539 G N -0.010 108.943 108.800 0.255 0.000 2.553 539 G HA2 0.394 4.354 3.960 -0.000 0.000 0.278 539 G HA3 0.394 4.354 3.960 -0.000 0.000 0.278 539 G C 0.378 175.375 174.900 0.161 0.000 1.349 539 G CA 0.097 45.303 45.100 0.177 0.000 1.037 539 G HN 0.362 nan 8.290 nan 0.000 0.508 540 V N -1.432 118.556 119.914 0.123 0.000 4.771 540 V HA 0.406 4.526 4.120 -0.000 0.000 0.148 540 V C -0.134 176.014 176.094 0.090 0.000 1.138 540 V CA -0.037 62.324 62.300 0.102 0.000 1.282 540 V CB -0.167 31.712 31.823 0.093 0.000 1.742 540 V HN 0.398 nan 8.190 nan 0.000 0.563 541 L N 0.812 122.086 121.223 0.085 0.000 2.620 541 L HA 0.639 4.979 4.340 -0.000 0.000 0.261 541 L C 0.300 177.217 176.870 0.079 0.000 0.978 541 L CA 0.397 55.285 54.840 0.080 0.000 0.897 541 L CB 1.160 43.266 42.059 0.077 0.000 1.207 541 L HN 0.682 nan 8.230 nan 0.000 0.425 542 G N 4.358 113.206 108.800 0.080 0.000 2.509 542 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.259 542 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.259 542 G C -2.701 172.244 174.900 0.075 0.000 1.169 542 G CA -0.428 44.719 45.100 0.079 0.000 0.953 542 G HN 0.400 nan 8.290 nan 0.000 0.563 543 P HA 0.451 nan 4.420 nan 0.000 0.273 543 P C -0.317 177.023 177.300 0.066 0.000 1.428 543 P CA 1.079 64.215 63.100 0.060 0.000 0.995 543 P CB 0.318 32.052 31.700 0.056 0.000 1.286 544 S N 3.422 119.162 115.700 0.066 0.000 2.680 544 S HA 0.649 5.119 4.470 -0.000 0.000 0.284 544 S C -0.801 173.851 174.600 0.086 0.000 1.055 544 S CA -0.957 57.286 58.200 0.072 0.000 0.849 544 S CB 0.318 63.564 63.200 0.076 0.000 1.068 544 S HN 0.420 nan 8.310 nan 0.000 0.453 545 I N -1.430 119.197 120.570 0.095 0.000 3.074 545 I HA 0.868 5.038 4.170 -0.000 0.000 0.310 545 I C -0.561 175.661 176.117 0.175 0.000 1.153 545 I CA -0.796 60.587 61.300 0.139 0.000 0.993 545 I CB 2.123 40.190 38.000 0.112 0.000 1.237 545 I HN 0.681 nan 8.210 nan 0.000 0.443 546 S N 3.495 119.349 115.700 0.257 0.000 2.399 546 S HA 0.468 4.938 4.470 -0.000 0.000 0.301 546 S C -1.684 173.117 174.600 0.335 0.000 1.093 546 S CA -1.391 56.953 58.200 0.240 0.000 1.077 546 S CB 0.605 63.941 63.200 0.227 0.000 0.980 546 S HN 0.583 nan 8.310 nan 0.000 0.494 547 P HA -0.079 nan 4.420 nan 0.000 0.216 547 P C 0.059 177.506 177.300 0.246 0.000 1.157 547 P CA 0.907 64.172 63.100 0.275 0.000 0.880 547 P CB 0.001 31.763 31.700 0.103 0.000 0.791 548 S N 1.033 116.777 115.700 0.073 0.000 2.481 548 S HA 0.041 4.511 4.470 -0.000 0.000 0.282 548 S C 0.518 174.991 174.600 -0.212 0.000 1.243 548 S CA -0.308 57.839 58.200 -0.088 0.000 1.078 548 S CB -0.699 62.445 63.200 -0.093 0.000 0.916 548 S HN 0.297 nan 8.310 nan 0.000 0.495 549 H N 1.376 120.194 119.070 -0.420 0.000 2.546 549 H HA 0.333 4.889 4.556 -0.000 0.000 0.365 549 H C 0.978 176.203 175.328 -0.172 0.000 1.220 549 H CA -0.226 55.454 56.048 -0.612 0.000 1.386 549 H CB 0.520 29.760 29.762 -0.870 0.000 1.510 549 H HN 0.547 nan 8.280 nan 0.000 0.591 550 S N 0.445 116.176 115.700 0.050 0.000 2.475 550 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 550 S C 0.721 175.433 174.600 0.187 0.000 1.042 550 S CA -0.071 58.232 58.200 0.171 0.000 0.935 550 S CB 0.399 63.913 63.200 0.523 0.000 0.801 550 S HN 0.736 nan 8.310 nan 0.000 0.509 551 Q N 0.175 120.117 119.800 0.236 0.000 2.456 551 Q HA 0.579 4.919 4.340 -0.000 0.000 0.283 551 Q C -1.267 174.863 176.000 0.217 0.000 1.084 551 Q CA -0.830 55.097 55.803 0.208 0.000 0.801 551 Q CB 1.825 30.657 28.738 0.157 0.000 1.434 551 Q HN 0.301 nan 8.270 nan 0.000 0.419 552 R N 3.528 124.088 120.500 0.100 0.000 2.593 552 R HA 0.314 4.653 4.340 -0.000 0.000 0.258 552 R C -1.106 175.132 176.300 -0.103 0.000 1.410 552 R CA -0.149 55.898 56.100 -0.087 0.000 1.537 552 R CB 0.199 30.482 30.300 -0.028 0.000 1.362 552 R HN 0.636 nan 8.270 nan 0.000 0.734 553 I N 2.438 122.982 120.570 -0.043 0.000 2.792 553 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 553 I C 0.791 176.900 176.117 -0.014 0.000 1.166 553 I CA 0.400 61.693 61.300 -0.011 0.000 1.375 553 I CB 0.553 38.583 38.000 0.050 0.000 1.421 553 I HN 0.400 nan 8.210 nan 0.000 0.544 554 A N 5.023 127.800 122.820 -0.072 0.000 2.468 554 A HA 0.718 5.038 4.320 -0.000 0.000 0.277 554 A C 1.158 178.605 177.584 -0.228 0.000 1.203 554 A CA -0.197 51.795 52.037 -0.075 0.000 0.932 554 A CB 0.346 19.292 19.000 -0.090 0.000 1.438 554 A HN 0.708 nan 8.150 nan 0.000 0.468 555 G N -0.375 108.297 108.800 -0.214 0.000 3.279 555 G HA2 0.320 4.279 3.960 -0.000 0.000 0.230 555 G HA3 0.320 4.279 3.960 -0.000 0.000 0.230 555 G C 0.342 175.132 174.900 -0.183 0.000 1.230 555 G CA 0.794 45.713 45.100 -0.302 0.000 0.891 555 G HN 0.494 nan 8.290 nan 0.000 0.518 556 S N -0.066 115.546 115.700 -0.146 0.000 2.554 556 S HA 0.128 4.598 4.470 -0.000 0.000 0.226 556 S C 0.906 175.447 174.600 -0.098 0.000 0.980 556 S CA -0.225 57.916 58.200 -0.098 0.000 0.939 556 S CB 0.441 63.600 63.200 -0.068 0.000 0.832 556 S HN 0.243 nan 8.310 nan 0.000 0.486 557 Q N 1.643 121.363 119.800 -0.134 0.000 3.207 557 Q HA 0.326 4.666 4.340 -0.000 0.000 0.335 557 Q C 0.251 176.188 176.000 -0.105 0.000 1.374 557 Q CA -0.144 55.593 55.803 -0.110 0.000 1.023 557 Q CB -0.661 28.005 28.738 -0.121 0.000 1.576 557 Q HN 0.481 nan 8.270 nan 0.000 0.515 558 L N 0.089 121.262 121.223 -0.084 0.000 3.905 558 L HA -0.264 4.076 4.340 -0.000 0.000 0.437 558 L C 0.444 177.260 176.870 -0.090 0.000 1.152 558 L CA 0.529 55.325 54.840 -0.073 0.000 0.935 558 L CB -1.551 40.474 42.059 -0.057 0.000 1.841 558 L HN 0.251 nan 8.230 nan 0.000 0.998 559 S N -0.564 115.061 115.700 -0.125 0.000 3.517 559 S HA 0.208 4.678 4.470 -0.000 0.000 0.284 559 S C 1.557 176.096 174.600 -0.100 0.000 1.260 559 S CA 0.326 58.443 58.200 -0.138 0.000 0.975 559 S CB 0.577 63.638 63.200 -0.231 0.000 1.540 559 S HN 0.421 nan 8.310 nan 0.000 0.506 560 S N 4.241 119.897 115.700 -0.074 0.000 2.412 560 S HA -0.199 4.271 4.470 -0.000 0.000 0.246 560 S C 0.830 175.399 174.600 -0.052 0.000 1.073 560 S CA 1.570 59.737 58.200 -0.055 0.000 1.186 560 S CB -0.180 62.993 63.200 -0.046 0.000 1.084 560 S HN 0.830 nan 8.310 nan 0.000 0.434 561 R N -0.154 120.314 120.500 -0.052 0.000 2.837 561 R HA 0.398 4.738 4.340 -0.000 0.000 0.245 561 R C -1.597 174.673 176.300 -0.050 0.000 1.712 561 R CA -0.026 56.048 56.100 -0.044 0.000 1.539 561 R CB 0.559 30.841 30.300 -0.031 0.000 1.490 561 R HN 0.197 nan 8.270 nan 0.000 0.667 562 L N 1.096 122.280 121.223 -0.063 0.000 2.362 562 L HA 0.387 4.727 4.340 -0.000 0.000 0.271 562 L C 1.010 177.839 176.870 -0.069 0.000 1.002 562 L CA -0.465 54.331 54.840 -0.072 0.000 0.818 562 L CB 2.602 44.629 42.059 -0.053 0.000 1.298 562 L HN 0.448 nan 8.230 nan 0.000 0.420 563 Q N 2.055 121.774 119.800 -0.135 0.000 2.042 563 Q HA 0.005 4.345 4.340 -0.000 0.000 0.194 563 Q C -0.869 175.162 176.000 0.053 0.000 0.978 563 Q CA 1.039 56.797 55.803 -0.075 0.000 0.828 563 Q CB 0.335 28.987 28.738 -0.144 0.000 0.901 563 Q HN 0.606 nan 8.270 nan 0.000 0.461 564 Y N -0.585 119.793 120.300 0.131 0.000 2.326 564 Y HA 0.508 5.058 4.550 -0.000 0.000 0.331 564 Y C -1.036 174.996 175.900 0.220 0.000 0.962 564 Y CA -1.760 56.437 58.100 0.163 0.000 1.167 564 Y CB 0.343 38.873 38.460 0.116 0.000 1.148 564 Y HN 0.068 nan 8.280 nan 0.000 0.463 565 F N 2.430 122.462 119.950 0.137 0.000 2.532 565 F HA 0.848 5.375 4.527 -0.000 0.000 0.321 565 F C 0.531 176.392 175.800 0.102 0.000 1.089 565 F CA -0.427 57.626 58.000 0.088 0.000 0.926 565 F CB 2.315 41.335 39.000 0.035 0.000 1.168 565 F HN 0.862 nan 8.300 nan 0.000 0.459 566 G N 3.073 111.539 108.800 -0.556 0.000 2.192 566 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.193 566 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.193 566 G C 0.614 175.402 174.900 -0.187 0.000 0.999 566 G CA 0.273 45.033 45.100 -0.567 0.000 0.659 566 G HN 0.763 nan 8.290 nan 0.000 0.503 567 Q N 0.129 119.898 119.800 -0.052 0.000 2.084 567 Q HA 0.067 4.407 4.340 -0.000 0.000 0.215 567 Q C 1.570 177.547 176.000 -0.038 0.000 1.020 567 Q CA 2.430 58.235 55.803 0.003 0.000 0.887 567 Q CB -0.241 28.538 28.738 0.068 0.000 0.975 567 Q HN 1.553 nan 8.270 nan 0.000 0.413 568 A N -0.754 122.033 122.820 -0.055 0.000 2.532 568 A HA 0.771 5.091 4.320 -0.000 0.000 0.290 568 A C -1.635 175.910 177.584 -0.067 0.000 1.143 568 A CA -0.819 51.184 52.037 -0.056 0.000 0.728 568 A CB 1.545 20.517 19.000 -0.047 0.000 1.317 568 A HN 0.304 nan 8.150 nan 0.000 0.414 569 L N -3.016 118.179 121.223 -0.046 0.000 2.700 569 L HA 0.816 5.155 4.340 -0.000 0.000 0.255 569 L C -0.816 176.050 176.870 -0.006 0.000 0.933 569 L CA -0.361 54.460 54.840 -0.031 0.000 0.920 569 L CB 1.282 43.309 42.059 -0.052 0.000 1.472 569 L HN 0.513 nan 8.230 nan 0.000 0.426 570 S N 0.002 115.710 115.700 0.012 0.000 2.572 570 S HA 0.962 5.432 4.470 -0.000 0.000 0.274 570 S C -0.338 174.283 174.600 0.035 0.000 1.150 570 S CA -0.125 58.090 58.200 0.025 0.000 0.944 570 S CB 1.911 65.130 63.200 0.032 0.000 1.071 570 S HN 1.314 nan 8.310 nan 0.000 0.479 571 G N -0.139 108.681 108.800 0.033 0.000 2.727 571 G HA2 0.704 4.664 3.960 -0.000 0.000 0.289 571 G HA3 0.704 4.664 3.960 -0.000 0.000 0.289 571 G C 0.353 175.270 174.900 0.029 0.000 1.418 571 G CA -0.053 45.068 45.100 0.034 0.000 0.818 571 G HN 1.516 nan 8.290 nan 0.000 0.486 572 G N -1.576 107.238 108.800 0.024 0.000 2.367 572 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.181 572 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.181 572 G C 0.075 174.982 174.900 0.011 0.000 1.000 572 G CA 0.215 45.326 45.100 0.019 0.000 0.693 572 G HN 0.738 nan 8.290 nan 0.000 0.480 573 Q N 0.800 120.607 119.800 0.012 0.000 2.274 573 Q HA 0.567 4.907 4.340 -0.000 0.000 0.260 573 Q C -0.914 175.084 176.000 -0.003 0.000 0.974 573 Q CA -0.555 55.250 55.803 0.004 0.000 0.876 573 Q CB 2.053 30.797 28.738 0.010 0.000 1.297 573 Q HN 0.247 nan 8.270 nan 0.000 0.446 574 D N 1.857 122.248 120.400 -0.015 0.000 2.365 574 D HA 0.173 4.813 4.640 -0.000 0.000 0.237 574 D C -0.100 176.175 176.300 -0.041 0.000 1.190 574 D CA -0.356 53.624 54.000 -0.033 0.000 0.867 574 D CB 0.541 41.320 40.800 -0.034 0.000 1.050 574 D HN 0.491 nan 8.370 nan 0.000 0.491 575 L N 1.957 123.146 121.223 -0.058 0.000 2.500 575 L HA 0.290 4.630 4.340 -0.000 0.000 0.219 575 L C 1.902 178.687 176.870 -0.140 0.000 1.057 575 L CA 0.630 55.436 54.840 -0.056 0.000 0.854 575 L CB -1.196 40.864 42.059 0.001 0.000 1.078 575 L HN 0.352 nan 8.230 nan 0.000 0.480 576 T N -3.490 110.895 114.554 -0.281 0.000 3.118 576 T HA 0.049 4.399 4.350 -0.000 0.000 0.260 576 T C 1.049 175.545 174.700 -0.339 0.000 1.139 576 T CA 0.762 62.488 62.100 -0.625 0.000 1.085 576 T CB -0.461 67.811 68.868 -0.993 0.000 0.934 576 T HN 0.560 nan 8.240 nan 0.000 0.518 577 Q N 0.438 120.132 119.800 -0.176 0.000 2.305 577 Q HA -0.212 4.128 4.340 -0.000 0.000 0.203 577 Q C -0.559 175.395 176.000 -0.078 0.000 0.663 577 Q CA 1.206 56.954 55.803 -0.092 0.000 1.389 577 Q CB -2.012 26.695 28.738 -0.052 0.000 1.566 577 Q HN 0.967 nan 8.270 nan 0.000 0.755 578 D N -0.856 119.476 120.400 -0.113 0.000 2.348 578 D HA 0.345 4.984 4.640 -0.000 0.000 0.253 578 D C 1.473 177.740 176.300 -0.055 0.000 1.161 578 D CA 0.447 54.406 54.000 -0.068 0.000 0.876 578 D CB 0.920 41.677 40.800 -0.071 0.000 1.160 578 D HN 0.103 nan 8.370 nan 0.000 0.459 579 G N 2.827 111.607 108.800 -0.033 0.000 2.816 579 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.229 579 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.229 579 G C 0.599 175.483 174.900 -0.028 0.000 1.158 579 G CA 1.088 46.172 45.100 -0.026 0.000 0.761 579 G HN 0.546 nan 8.290 nan 0.000 0.636 580 L N 0.313 121.521 121.223 -0.025 0.000 2.454 580 L HA 0.532 4.872 4.340 -0.000 0.000 0.256 580 L C 1.097 177.953 176.870 -0.023 0.000 1.136 580 L CA -0.783 54.047 54.840 -0.018 0.000 0.804 580 L CB 1.347 43.401 42.059 -0.009 0.000 1.181 580 L HN 0.439 nan 8.230 nan 0.000 0.469 581 V N -0.337 119.570 119.914 -0.012 0.000 3.332 581 V HA 0.259 4.379 4.120 -0.000 0.000 0.305 581 V C -0.319 175.768 176.094 -0.012 0.000 1.114 581 V CA -0.405 61.890 62.300 -0.009 0.000 1.194 581 V CB 0.247 32.073 31.823 0.004 0.000 1.027 581 V HN 0.766 nan 8.190 nan 0.000 0.492 582 D N 0.851 121.247 120.400 -0.006 0.000 2.477 582 D HA 0.708 5.348 4.640 -0.000 0.000 0.234 582 D C -1.111 175.203 176.300 0.022 0.000 1.048 582 D CA -0.347 53.653 54.000 0.000 0.000 0.959 582 D CB 2.309 43.101 40.800 -0.013 0.000 1.408 582 D HN 0.671 nan 8.370 nan 0.000 0.496 583 L N 0.479 121.723 121.223 0.035 0.000 2.386 583 L HA 0.741 5.080 4.340 -0.000 0.000 0.271 583 L C -1.455 175.454 176.870 0.065 0.000 0.993 583 L CA -0.624 54.244 54.840 0.047 0.000 0.819 583 L CB 1.721 43.808 42.059 0.047 0.000 1.294 583 L HN 0.461 nan 8.230 nan 0.000 0.414 584 A N 4.746 127.605 122.820 0.066 0.000 2.319 584 A HA 0.778 5.098 4.320 -0.000 0.000 0.310 584 A C -1.460 176.157 177.584 0.056 0.000 1.152 584 A CA -0.501 51.587 52.037 0.085 0.000 0.783 584 A CB 1.263 20.322 19.000 0.098 0.000 1.184 584 A HN 0.510 nan 8.150 nan 0.000 0.474 585 V N 2.570 122.524 119.914 0.066 0.000 2.444 585 V HA 0.622 4.742 4.120 -0.000 0.000 0.294 585 V C 0.895 177.010 176.094 0.035 0.000 1.022 585 V CA -0.291 62.008 62.300 -0.001 0.000 0.850 585 V CB 1.591 33.376 31.823 -0.065 0.000 0.992 585 V HN 1.112 nan 8.190 nan 0.000 0.426 586 G N 3.145 111.939 108.800 -0.009 0.000 2.444 586 G HA2 0.696 4.655 3.960 -0.000 0.000 0.268 586 G HA3 0.696 4.655 3.960 -0.000 0.000 0.268 586 G C -0.298 174.631 174.900 0.048 0.000 1.203 586 G CA 0.318 45.428 45.100 0.017 0.000 0.835 586 G HN 1.193 nan 8.290 nan 0.000 0.543 587 A N 1.784 124.674 122.820 0.115 0.000 2.594 587 A HA 0.745 5.065 4.320 -0.000 0.000 0.291 587 A C 0.072 177.721 177.584 0.108 0.000 1.105 587 A CA -0.893 51.238 52.037 0.156 0.000 0.694 587 A CB 1.162 20.328 19.000 0.277 0.000 1.291 587 A HN 0.795 nan 8.150 nan 0.000 0.410 588 R N 0.322 120.833 120.500 0.018 0.000 2.483 588 R HA 0.357 4.697 4.340 -0.000 0.000 0.329 588 R C 1.271 177.600 176.300 0.050 0.000 0.961 588 R CA 1.976 58.061 56.100 -0.024 0.000 1.041 588 R CB -0.461 29.644 30.300 -0.325 0.000 0.930 588 R HN 1.996 nan 8.270 nan 0.000 0.413 589 G N 2.787 111.693 108.800 0.176 0.000 2.490 589 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.214 589 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.214 589 G C -0.269 174.827 174.900 0.326 0.000 1.151 589 G CA 0.358 45.579 45.100 0.202 0.000 0.684 589 G HN 0.692 nan 8.290 nan 0.000 0.518 590 Q N -0.736 119.241 119.800 0.294 0.000 2.544 590 Q HA 0.800 5.139 4.340 -0.000 0.000 0.291 590 Q C -1.574 174.622 176.000 0.327 0.000 1.068 590 Q CA -0.763 55.248 55.803 0.347 0.000 0.785 590 Q CB 2.860 31.702 28.738 0.173 0.000 1.481 590 Q HN 1.067 nan 8.270 nan 0.000 0.430 591 V N 1.820 121.949 119.914 0.358 0.000 2.686 591 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 591 V C -1.717 174.533 176.094 0.259 0.000 1.065 591 V CA -0.643 61.818 62.300 0.268 0.000 0.894 591 V CB 1.843 33.796 31.823 0.217 0.000 1.004 591 V HN 0.769 nan 8.190 nan 0.000 0.424 592 L N 6.259 127.606 121.223 0.207 0.000 2.334 592 L HA 0.661 5.001 4.340 -0.000 0.000 0.270 592 L C -0.442 176.518 176.870 0.149 0.000 1.018 592 L CA -0.313 54.617 54.840 0.150 0.000 0.811 592 L CB 1.759 43.907 42.059 0.148 0.000 1.271 592 L HN 0.547 nan 8.230 nan 0.000 0.443 593 L N 2.711 123.996 121.223 0.105 0.000 2.343 593 L HA 0.452 4.792 4.340 -0.000 0.000 0.278 593 L C -1.385 175.528 176.870 0.072 0.000 0.996 593 L CA -0.580 54.322 54.840 0.104 0.000 0.831 593 L CB 1.575 43.709 42.059 0.125 0.000 1.232 593 L HN 0.301 nan 8.230 nan 0.000 0.413 594 L N 4.756 126.021 121.223 0.071 0.000 2.276 594 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 594 L C 0.379 177.270 176.870 0.035 0.000 1.024 594 L CA -0.055 54.819 54.840 0.055 0.000 0.826 594 L CB 1.152 43.254 42.059 0.072 0.000 1.211 594 L HN 0.457 nan 8.230 nan 0.000 0.422 595 R N 0.738 121.249 120.500 0.019 0.000 2.649 595 R HA 0.560 4.899 4.340 -0.000 0.000 0.270 595 R C -0.077 176.227 176.300 0.008 0.000 1.105 595 R CA -0.498 55.601 56.100 -0.001 0.000 1.193 595 R CB 0.498 30.786 30.300 -0.021 0.000 1.120 595 R HN 0.621 nan 8.270 nan 0.000 0.561 596 T N -0.029 114.525 114.554 -0.001 0.000 2.756 596 T HA 0.336 4.686 4.350 -0.000 0.000 0.290 596 T C 0.108 174.811 174.700 0.006 0.000 0.985 596 T CA -1.127 60.973 62.100 0.000 0.000 0.955 596 T CB 1.021 69.884 68.868 -0.008 0.000 0.930 596 T HN 0.223 nan 8.240 nan 0.000 0.451 597 R N 3.397 123.907 120.500 0.018 0.000 2.438 597 R HA 0.295 4.635 4.340 -0.000 0.000 0.287 597 R C -2.720 173.604 176.300 0.040 0.000 1.077 597 R CA -2.509 53.611 56.100 0.033 0.000 1.034 597 R CB -0.057 30.273 30.300 0.050 0.000 0.993 597 R HN 0.472 nan 8.270 nan 0.000 0.459 598 P HA -0.044 nan 4.420 nan 0.000 0.262 598 P C -0.249 177.107 177.300 0.094 0.000 1.199 598 P CA 0.003 63.132 63.100 0.049 0.000 0.763 598 P CB 0.438 32.156 31.700 0.030 0.000 0.790 599 V N 3.248 123.243 119.914 0.136 0.000 2.318 599 V HA 0.505 4.625 4.120 -0.000 0.000 0.271 599 V C -0.333 175.908 176.094 0.246 0.000 1.030 599 V CA -0.929 61.527 62.300 0.260 0.000 0.844 599 V CB 0.077 32.144 31.823 0.407 0.000 1.015 599 V HN 0.200 nan 8.190 nan 0.000 0.460 600 L N 3.970 125.293 121.223 0.167 0.000 2.331 600 L HA 1.028 5.368 4.340 -0.000 0.000 0.275 600 L C -0.385 176.616 176.870 0.219 0.000 1.022 600 L CA -1.058 53.789 54.840 0.013 0.000 0.812 600 L CB 1.003 43.025 42.059 -0.062 0.000 1.257 600 L HN 0.872 nan 8.230 nan 0.000 0.435 601 W N 1.174 122.513 121.300 0.065 0.000 2.975 601 W HA 0.905 5.564 4.660 -0.000 0.000 0.342 601 W C -1.576 174.962 176.519 0.032 0.000 1.168 601 W CA -1.434 55.959 57.345 0.079 0.000 1.141 601 W CB 1.093 30.604 29.460 0.085 0.000 1.445 601 W HN 0.544 nan 8.180 nan 0.000 0.560 602 V N 1.531 121.597 119.914 0.252 0.000 2.914 602 V HA 0.945 5.065 4.120 -0.000 0.000 0.314 602 V C -0.237 175.800 176.094 -0.095 0.000 1.084 602 V CA -0.605 61.671 62.300 -0.040 0.000 0.963 602 V CB 1.800 33.591 31.823 -0.054 0.000 1.025 602 V HN 1.099 nan 8.190 nan 0.000 0.432 603 G N 2.307 110.791 108.800 -0.526 0.000 2.417 603 G HA2 0.667 4.627 3.960 -0.000 0.000 0.334 603 G HA3 0.667 4.627 3.960 -0.000 0.000 0.334 603 G C -1.363 173.260 174.900 -0.461 0.000 1.150 603 G CA -0.392 44.380 45.100 -0.547 0.000 0.923 603 G HN 1.168 nan 8.290 nan 0.000 0.485 604 V N 0.351 120.109 119.914 -0.260 0.000 3.007 604 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 604 V C -0.526 175.517 176.094 -0.084 0.000 1.120 604 V CA -0.369 61.832 62.300 -0.165 0.000 0.980 604 V CB 2.453 34.048 31.823 -0.379 0.000 1.033 604 V HN 1.353 nan 8.190 nan 0.000 0.429 605 S N 6.274 121.960 115.700 -0.024 0.000 2.538 605 S HA 0.839 5.309 4.470 -0.000 0.000 0.288 605 S C -0.963 173.599 174.600 -0.063 0.000 1.108 605 S CA -0.795 57.377 58.200 -0.047 0.000 0.971 605 S CB 1.710 64.884 63.200 -0.043 0.000 1.041 605 S HN 0.740 nan 8.310 nan 0.000 0.483 606 M N 2.337 121.890 119.600 -0.078 0.000 2.530 606 M HA 0.578 5.058 4.480 -0.000 0.000 0.307 606 M C -0.720 175.468 176.300 -0.187 0.000 1.161 606 M CA -0.304 54.918 55.300 -0.130 0.000 0.903 606 M CB 2.545 35.079 32.600 -0.109 0.000 1.711 606 M HN 0.930 nan 8.290 nan 0.000 0.451 607 Q N 1.308 120.919 119.800 -0.316 0.000 2.578 607 Q HA 0.530 4.870 4.340 -0.000 0.000 0.284 607 Q C -2.101 173.625 176.000 -0.457 0.000 0.960 607 Q CA -0.588 55.043 55.803 -0.287 0.000 0.809 607 Q CB 2.308 30.979 28.738 -0.111 0.000 1.462 607 Q HN 0.644 nan 8.270 nan 0.000 0.392 608 F N 3.061 123.030 119.950 0.030 0.000 2.366 608 F HA 0.399 4.926 4.527 -0.000 0.000 0.366 608 F C 1.076 176.880 175.800 0.007 0.000 1.096 608 F CA -0.571 57.442 58.000 0.022 0.000 1.060 608 F CB 0.633 39.635 39.000 0.004 0.000 1.282 608 F HN 0.625 nan 8.300 nan 0.000 0.450 609 I N 2.528 123.185 120.570 0.146 0.000 2.093 609 I HA -0.237 3.933 4.170 -0.000 0.000 0.239 609 I C -1.080 175.083 176.117 0.078 0.000 1.026 609 I CA 1.176 62.523 61.300 0.080 0.000 1.295 609 I CB -1.021 37.012 38.000 0.054 0.000 1.007 609 I HN 0.311 nan 8.210 nan 0.000 0.401 610 P HA 0.041 nan 4.420 nan 0.000 0.268 610 P C 0.259 177.590 177.300 0.051 0.000 1.282 610 P CA 0.338 63.463 63.100 0.042 0.000 0.880 610 P CB 0.836 32.543 31.700 0.012 0.000 0.971 611 A N 4.875 127.724 122.820 0.048 0.000 1.863 611 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 611 A C 1.092 178.683 177.584 0.013 0.000 1.233 611 A CA 1.844 53.915 52.037 0.058 0.000 0.655 611 A CB -0.724 18.299 19.000 0.039 0.000 0.839 611 A HN 0.621 nan 8.150 nan 0.000 0.454 612 E N -2.064 118.115 120.200 -0.035 0.000 2.573 612 E HA 0.717 5.067 4.350 -0.000 0.000 0.218 612 E C -0.959 175.554 176.600 -0.145 0.000 0.777 612 E CA -1.032 55.304 56.400 -0.106 0.000 0.970 612 E CB 0.791 30.457 29.700 -0.056 0.000 1.666 612 E HN 0.258 nan 8.360 nan 0.000 0.384 613 I N 1.320 121.785 120.570 -0.175 0.000 2.404 613 I HA 0.238 4.408 4.170 -0.000 0.000 0.293 613 I C -1.965 174.128 176.117 -0.040 0.000 0.992 613 I CA -2.411 58.809 61.300 -0.135 0.000 1.149 613 I CB 2.092 39.963 38.000 -0.215 0.000 1.315 613 I HN 0.408 nan 8.210 nan 0.000 0.446 614 P HA 0.021 nan 4.420 nan 0.000 0.249 614 P C 0.637 177.929 177.300 -0.014 0.000 1.241 614 P CA 0.167 63.256 63.100 -0.018 0.000 0.781 614 P CB 0.105 31.799 31.700 -0.010 0.000 1.088 615 R N -1.641 118.870 120.500 0.019 0.000 3.922 615 R HA -0.191 4.149 4.340 -0.000 0.000 0.447 615 R C 1.132 177.494 176.300 0.103 0.000 1.035 615 R CA 1.003 57.112 56.100 0.015 0.000 1.289 615 R CB -2.206 27.993 30.300 -0.169 0.000 1.906 615 R HN 0.108 nan 8.270 nan 0.000 0.540 616 S N -0.297 115.450 115.700 0.078 0.000 2.345 616 S HA 0.016 4.485 4.470 -0.000 0.000 0.220 616 S C 1.168 175.826 174.600 0.097 0.000 1.031 616 S CA 1.229 59.470 58.200 0.068 0.000 0.996 616 S CB 0.117 63.339 63.200 0.037 0.000 0.882 616 S HN 0.556 nan 8.310 nan 0.000 0.445 617 A N 0.323 123.205 122.820 0.103 0.000 3.258 617 A HA 0.535 4.855 4.320 -0.000 0.000 0.275 617 A C 0.387 178.058 177.584 0.145 0.000 1.452 617 A CA -0.530 51.562 52.037 0.092 0.000 1.120 617 A CB -0.583 18.446 19.000 0.048 0.000 1.107 617 A HN 0.425 nan 8.150 nan 0.000 0.651 618 F N -0.246 119.723 119.950 0.032 0.000 2.429 618 F HA 0.238 4.764 4.527 -0.000 0.000 0.245 618 F C 1.780 177.596 175.800 0.026 0.000 1.048 618 F CA 1.075 59.104 58.000 0.049 0.000 1.013 618 F CB 0.180 39.211 39.000 0.051 0.000 1.141 618 F HN 0.316 nan 8.300 nan 0.000 0.653 619 E N 0.291 120.623 120.200 0.221 0.000 2.299 619 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 619 E C 0.793 177.404 176.600 0.018 0.000 0.998 619 E CA 0.667 57.088 56.400 0.035 0.000 0.851 619 E CB 0.078 29.940 29.700 0.270 0.000 0.795 619 E HN 0.613 nan 8.360 nan 0.000 0.492 620 c N -0.875 117.762 118.600 0.061 0.000 0.168 620 c HA -0.228 4.342 4.570 -0.000 0.000 0.017 620 c C -0.112 173.991 174.090 0.023 0.000 0.171 620 c CA -0.280 56.067 56.329 0.030 0.000 0.499 620 c CB -0.692 41.815 42.510 -0.005 0.000 3.212 620 c HN 0.581 nan 8.230 nan 0.000 1.118 621 R N -0.054 120.453 120.500 0.012 0.000 2.741 621 R HA 0.541 4.881 4.340 -0.000 0.000 0.276 621 R C -0.959 175.344 176.300 0.004 0.000 1.028 621 R CA -0.304 55.803 56.100 0.010 0.000 0.865 621 R CB 1.046 31.356 30.300 0.017 0.000 1.268 621 R HN 0.876 nan 8.270 nan 0.000 0.475 622 E N 1.592 121.794 120.200 0.003 0.000 3.385 622 E HA 0.073 4.423 4.350 -0.000 0.000 0.206 622 E C -1.157 175.444 176.600 0.002 0.000 0.997 622 E CA -0.141 56.259 56.400 0.001 0.000 1.278 622 E CB 1.313 31.011 29.700 -0.002 0.000 1.165 622 E HN 0.396 nan 8.360 nan 0.000 0.452 623 Q N 0.236 120.038 119.800 0.004 0.000 2.333 623 Q HA 0.513 4.852 4.340 -0.000 0.000 0.267 623 Q C 0.601 176.604 176.000 0.005 0.000 1.012 623 Q CA -0.633 55.173 55.803 0.004 0.000 0.824 623 Q CB 1.790 30.531 28.738 0.005 0.000 1.290 623 Q HN 0.012 nan 8.270 nan 0.000 0.449 624 V N -0.663 119.253 119.914 0.004 0.000 0.691 624 V HA -0.292 3.828 4.120 -0.000 0.000 0.092 624 V C 0.320 176.416 176.094 0.004 0.000 0.768 624 V CA 0.736 63.038 62.300 0.005 0.000 3.097 624 V CB -2.337 29.490 31.823 0.006 0.000 0.181 624 V HN 1.447 nan 8.190 nan 0.000 0.063 625 V N -1.906 118.011 119.914 0.005 0.000 3.214 625 V HA 0.770 4.890 4.120 -0.000 0.000 0.306 625 V C 0.721 176.817 176.094 0.004 0.000 1.078 625 V CA 0.244 62.547 62.300 0.005 0.000 1.077 625 V CB 1.270 33.096 31.823 0.006 0.000 1.121 625 V HN 1.633 nan 8.190 nan 0.000 0.468 626 S N 1.887 117.589 115.700 0.003 0.000 2.423 626 S HA 0.214 4.684 4.470 -0.000 0.000 0.302 626 S C 0.135 174.738 174.600 0.006 0.000 1.143 626 S CA -0.100 58.101 58.200 0.002 0.000 1.080 626 S CB -0.525 62.675 63.200 -0.000 0.000 1.081 626 S HN 0.835 nan 8.310 nan 0.000 0.522 627 E N 3.261 123.466 120.200 0.008 0.000 1.861 627 E HA 0.044 4.394 4.350 -0.000 0.000 0.263 627 E C -0.235 176.370 176.600 0.009 0.000 1.137 627 E CA -0.188 56.218 56.400 0.010 0.000 0.944 627 E CB 0.289 29.996 29.700 0.012 0.000 1.092 627 E HN 0.600 nan 8.360 nan 0.000 0.420 628 Q N 1.600 121.404 119.800 0.007 0.000 2.244 628 Q HA 0.028 4.368 4.340 -0.000 0.000 0.276 628 Q C 0.123 176.126 176.000 0.005 0.000 1.122 628 Q CA 0.351 56.156 55.803 0.004 0.000 0.920 628 Q CB 0.510 29.249 28.738 0.003 0.000 1.186 628 Q HN 0.289 nan 8.270 nan 0.000 0.393 629 T N 2.369 116.925 114.554 0.003 0.000 2.903 629 T HA 0.130 4.480 4.350 -0.000 0.000 0.314 629 T C -0.339 174.360 174.700 -0.002 0.000 1.078 629 T CA -0.168 61.933 62.100 0.001 0.000 1.114 629 T CB 0.306 69.172 68.868 -0.003 0.000 0.987 629 T HN 0.303 nan 8.240 nan 0.000 0.548 630 L N 4.661 125.887 121.223 0.004 0.000 2.337 630 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 630 L C -0.717 176.163 176.870 0.016 0.000 1.018 630 L CA -0.359 54.490 54.840 0.014 0.000 0.876 630 L CB 0.704 42.778 42.059 0.025 0.000 1.236 630 L HN 0.375 nan 8.230 nan 0.000 0.436 631 V N 4.415 124.335 119.914 0.010 0.000 2.607 631 V HA 0.382 4.502 4.120 -0.000 0.000 0.289 631 V C 0.170 176.320 176.094 0.094 0.000 1.053 631 V CA -0.494 61.821 62.300 0.025 0.000 0.996 631 V CB 1.464 33.268 31.823 -0.032 0.000 0.995 631 V HN 0.676 nan 8.190 nan 0.000 0.476 632 Q N 1.835 121.710 119.800 0.125 0.000 2.282 632 Q HA 0.517 4.857 4.340 -0.000 0.000 0.260 632 Q C -0.679 175.467 176.000 0.243 0.000 0.964 632 Q CA -0.252 55.646 55.803 0.159 0.000 0.880 632 Q CB 2.079 30.873 28.738 0.093 0.000 1.286 632 Q HN 0.727 nan 8.270 nan 0.000 0.445 633 S N 2.743 118.606 115.700 0.271 0.000 2.596 633 S HA 0.323 4.793 4.470 -0.000 0.000 0.318 633 S C -1.102 173.571 174.600 0.122 0.000 1.097 633 S CA -0.701 57.625 58.200 0.209 0.000 1.080 633 S CB 0.606 64.017 63.200 0.351 0.000 0.991 633 S HN 0.596 nan 8.310 nan 0.000 0.471 634 N N 5.206 123.898 118.700 -0.013 0.000 2.424 634 N HA 0.486 5.226 4.740 -0.000 0.000 0.271 634 N C -1.045 174.442 175.510 -0.038 0.000 0.985 634 N CA -0.356 52.680 53.050 -0.024 0.000 0.921 634 N CB 0.702 39.154 38.487 -0.059 0.000 1.149 634 N HN 0.676 nan 8.380 nan 0.000 0.492 635 I N 1.739 122.328 120.570 0.032 0.000 2.603 635 I HA 0.487 4.657 4.170 -0.000 0.000 0.300 635 I C -0.355 175.779 176.117 0.028 0.000 1.017 635 I CA -0.808 60.513 61.300 0.036 0.000 1.098 635 I CB 1.897 39.965 38.000 0.114 0.000 1.279 635 I HN 0.342 nan 8.210 nan 0.000 0.437 636 c N 5.155 123.765 118.600 0.016 0.000 2.797 636 c HA 0.714 5.284 4.570 -0.000 0.000 0.306 636 c C -0.513 173.629 174.090 0.087 0.000 1.207 636 c CA -0.812 55.537 56.329 0.034 0.000 1.507 636 c CB 1.726 44.221 42.510 -0.024 0.000 2.028 636 c HN 0.551 nan 8.230 nan 0.000 0.475 637 L N 2.763 124.069 121.223 0.139 0.000 2.438 637 L HA 0.671 5.010 4.340 -0.000 0.000 0.270 637 L C -1.188 175.805 176.870 0.205 0.000 0.972 637 L CA -0.490 54.415 54.840 0.108 0.000 0.831 637 L CB 1.489 43.530 42.059 -0.029 0.000 1.273 637 L HN 0.909 nan 8.230 nan 0.000 0.405 638 Y N 2.494 122.756 120.300 -0.062 0.000 2.519 638 Y HA 0.757 5.307 4.550 -0.000 0.000 0.336 638 Y C -1.027 174.844 175.900 -0.049 0.000 1.089 638 Y CA -1.377 56.698 58.100 -0.043 0.000 1.025 638 Y CB 1.248 39.686 38.460 -0.037 0.000 1.318 638 Y HN 0.420 nan 8.280 nan 0.000 0.452 639 I N 1.346 121.839 120.570 -0.128 0.000 2.412 639 I HA 0.555 4.725 4.170 -0.000 0.000 0.296 639 I C -0.630 175.392 176.117 -0.159 0.000 0.987 639 I CA -0.565 60.601 61.300 -0.223 0.000 1.180 639 I CB 2.085 39.990 38.000 -0.158 0.000 1.340 639 I HN 0.884 nan 8.210 nan 0.000 0.455 640 D N 3.849 124.109 120.400 -0.234 0.000 2.504 640 D HA 0.044 4.684 4.640 -0.000 0.000 0.276 640 D C 0.363 176.548 176.300 -0.191 0.000 1.073 640 D CA 0.088 54.014 54.000 -0.124 0.000 0.905 640 D CB 0.284 41.071 40.800 -0.022 0.000 1.350 640 D HN 0.490 nan 8.370 nan 0.000 0.496 641 K N 0.803 120.972 120.400 -0.385 0.000 2.276 641 K HA 0.309 4.629 4.320 -0.000 0.000 0.285 641 K C 1.088 177.392 176.600 -0.493 0.000 1.062 641 K CA -0.220 55.801 56.287 -0.444 0.000 0.918 641 K CB 0.989 33.107 32.500 -0.636 0.000 1.055 641 K HN 0.166 nan 8.250 nan 0.000 0.477 642 R N 0.837 121.177 120.500 -0.266 0.000 2.709 642 R HA -0.011 4.329 4.340 -0.000 0.000 0.200 642 R C 1.156 177.393 176.300 -0.104 0.000 0.974 642 R CA 0.509 56.498 56.100 -0.184 0.000 1.416 642 R CB -0.402 29.820 30.300 -0.129 0.000 1.709 642 R HN 0.517 nan 8.270 nan 0.000 0.546 643 S N 2.995 118.653 115.700 -0.071 0.000 2.414 643 S HA -0.372 4.098 4.470 -0.000 0.000 0.241 643 S C 1.850 176.438 174.600 -0.020 0.000 1.079 643 S CA 2.122 60.304 58.200 -0.030 0.000 1.087 643 S CB -0.574 62.624 63.200 -0.004 0.000 0.927 643 S HN 0.669 nan 8.310 nan 0.000 0.456 644 K N 1.752 122.142 120.400 -0.018 0.000 2.007 644 K HA 0.023 4.342 4.320 -0.000 0.000 0.206 644 K C 1.595 178.185 176.600 -0.016 0.000 1.047 644 K CA 1.312 57.595 56.287 -0.006 0.000 0.937 644 K CB -0.529 31.977 32.500 0.010 0.000 0.718 644 K HN 0.237 nan 8.250 nan 0.000 0.438 645 N N 1.199 119.882 118.700 -0.029 0.000 2.453 645 N HA 0.055 4.795 4.740 -0.000 0.000 0.183 645 N C 0.415 175.907 175.510 -0.029 0.000 1.041 645 N CA 0.705 53.738 53.050 -0.029 0.000 0.900 645 N CB -0.465 37.999 38.487 -0.038 0.000 0.961 645 N HN 0.226 nan 8.380 nan 0.000 0.443 646 L N -1.062 120.142 121.223 -0.032 0.000 0.598 646 L HA -0.287 4.053 4.340 -0.000 0.000 0.356 646 L C 0.256 177.110 176.870 -0.028 0.000 1.008 646 L CA -0.093 54.731 54.840 -0.026 0.000 1.223 646 L CB -0.590 41.458 42.059 -0.019 0.000 0.045 646 L HN 0.065 nan 8.230 nan 0.000 0.093 647 L N 0.086 121.295 121.223 -0.023 0.000 2.456 647 L HA 0.424 4.764 4.340 -0.000 0.000 0.266 647 L C 1.259 178.117 176.870 -0.019 0.000 1.258 647 L CA 1.052 55.879 54.840 -0.021 0.000 0.823 647 L CB -0.189 41.861 42.059 -0.016 0.000 1.100 647 L HN 0.960 nan 8.230 nan 0.000 0.531 648 G N -0.015 108.774 108.800 -0.018 0.000 2.760 648 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 648 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 648 G C -0.355 174.534 174.900 -0.018 0.000 1.359 648 G CA -0.487 44.603 45.100 -0.016 0.000 0.861 648 G HN 0.681 nan 8.290 nan 0.000 0.541 649 S N -0.004 115.686 115.700 -0.018 0.000 2.631 649 S HA 0.152 4.621 4.470 -0.000 0.000 0.311 649 S C 1.532 176.119 174.600 -0.022 0.000 1.254 649 S CA 1.830 60.017 58.200 -0.021 0.000 1.039 649 S CB 0.590 63.778 63.200 -0.020 0.000 0.753 649 S HN 1.892 nan 8.310 nan 0.000 0.494 650 R N 1.436 121.921 120.500 -0.025 0.000 1.354 650 R HA -0.258 4.082 4.340 -0.000 0.000 0.055 650 R C 0.992 177.278 176.300 -0.024 0.000 0.949 650 R CA 1.754 57.840 56.100 -0.024 0.000 1.971 650 R CB -1.811 28.478 30.300 -0.019 0.000 0.284 650 R HN 0.653 nan 8.270 nan 0.000 0.723 651 D N 0.195 120.578 120.400 -0.027 0.000 2.351 651 D HA -0.016 4.624 4.640 -0.000 0.000 0.216 651 D C 1.243 177.522 176.300 -0.035 0.000 0.968 651 D CA 1.389 55.367 54.000 -0.037 0.000 0.899 651 D CB 0.176 40.952 40.800 -0.040 0.000 0.907 651 D HN 0.301 nan 8.370 nan 0.000 0.514 652 L N -0.239 120.968 121.223 -0.027 0.000 3.013 652 L HA 0.242 4.582 4.340 -0.000 0.000 0.181 652 L C 0.853 177.710 176.870 -0.022 0.000 1.369 652 L CA 0.012 54.839 54.840 -0.022 0.000 1.743 652 L CB -1.274 40.775 42.059 -0.018 0.000 1.790 652 L HN -0.101 nan 8.230 nan 0.000 0.899 653 Q N 1.215 121.002 119.800 -0.022 0.000 2.348 653 Q HA 0.139 4.479 4.340 -0.000 0.000 0.331 653 Q C -1.081 174.904 176.000 -0.025 0.000 1.099 653 Q CA 0.820 56.608 55.803 -0.025 0.000 1.021 653 Q CB 0.240 28.960 28.738 -0.029 0.000 1.166 653 Q HN 0.549 nan 8.270 nan 0.000 0.393 654 S N 1.506 117.191 115.700 -0.026 0.000 2.388 654 S HA 0.194 4.664 4.470 -0.000 0.000 0.279 654 S C -0.935 173.653 174.600 -0.020 0.000 0.987 654 S CA -0.893 57.297 58.200 -0.018 0.000 0.993 654 S CB 0.603 63.801 63.200 -0.005 0.000 1.207 654 S HN 0.478 nan 8.310 nan 0.000 0.425 655 S N 1.694 117.381 115.700 -0.021 0.000 2.589 655 S HA 0.696 5.166 4.470 -0.000 0.000 0.265 655 S C 0.063 174.662 174.600 -0.002 0.000 1.342 655 S CA -0.364 57.821 58.200 -0.024 0.000 1.005 655 S CB 0.886 64.073 63.200 -0.021 0.000 0.909 655 S HN 0.937 nan 8.310 nan 0.000 0.555 656 V N 0.999 120.912 119.914 -0.001 0.000 3.087 656 V HA 0.480 4.600 4.120 -0.000 0.000 0.306 656 V C -0.366 175.751 176.094 0.038 0.000 1.187 656 V CA -1.032 61.292 62.300 0.041 0.000 0.999 656 V CB 2.551 34.419 31.823 0.075 0.000 1.049 656 V HN 1.003 nan 8.190 nan 0.000 0.431 657 T N 1.942 116.531 114.554 0.058 0.000 2.767 657 T HA 0.797 5.147 4.350 -0.000 0.000 0.284 657 T C -0.711 174.037 174.700 0.079 0.000 0.973 657 T CA -0.464 61.663 62.100 0.046 0.000 0.996 657 T CB 0.765 69.648 68.868 0.026 0.000 0.927 657 T HN 0.382 nan 8.240 nan 0.000 0.456 658 L N 2.667 123.922 121.223 0.053 0.000 2.317 658 L HA 0.585 4.925 4.340 -0.000 0.000 0.281 658 L C -0.532 176.339 176.870 0.001 0.000 1.024 658 L CA -0.783 54.091 54.840 0.057 0.000 0.810 658 L CB 1.454 43.533 42.059 0.035 0.000 1.240 658 L HN 0.675 nan 8.230 nan 0.000 0.427 659 D N 3.276 123.692 120.400 0.027 0.000 2.363 659 D HA 0.381 5.021 4.640 -0.000 0.000 0.258 659 D C -0.726 175.592 176.300 0.030 0.000 1.259 659 D CA -0.194 53.810 54.000 0.006 0.000 0.921 659 D CB 1.016 41.845 40.800 0.048 0.000 1.201 659 D HN 0.184 nan 8.370 nan 0.000 0.524 660 L N 1.041 122.222 121.223 -0.070 0.000 2.371 660 L HA 0.826 5.166 4.340 -0.000 0.000 0.272 660 L C 0.290 177.266 176.870 0.176 0.000 1.124 660 L CA -0.773 54.082 54.840 0.026 0.000 0.816 660 L CB 1.170 43.138 42.059 -0.152 0.000 1.129 660 L HN 0.288 nan 8.230 nan 0.000 0.448 661 A N 3.628 126.605 122.820 0.260 0.000 2.465 661 A HA 0.718 5.038 4.320 -0.000 0.000 0.292 661 A C -1.200 176.491 177.584 0.180 0.000 1.041 661 A CA -0.507 51.671 52.037 0.236 0.000 0.718 661 A CB 1.198 20.283 19.000 0.142 0.000 1.266 661 A HN 0.478 nan 8.150 nan 0.000 0.403 662 L N 1.344 122.634 121.223 0.113 0.000 2.343 662 L HA 0.523 4.863 4.340 -0.000 0.000 0.275 662 L C 0.002 176.889 176.870 0.029 0.000 1.056 662 L CA -0.111 54.755 54.840 0.042 0.000 0.804 662 L CB 0.779 42.790 42.059 -0.080 0.000 1.203 662 L HN 0.706 nan 8.230 nan 0.000 0.440 663 D N 1.559 121.979 120.400 0.033 0.000 2.829 663 D HA -0.178 4.462 4.640 -0.000 0.000 0.219 663 D C -1.749 174.560 176.300 0.015 0.000 1.239 663 D CA 0.309 54.323 54.000 0.023 0.000 0.685 663 D CB -0.421 40.385 40.800 0.009 0.000 0.950 663 D HN 0.400 nan 8.370 nan 0.000 0.398 664 P HA -0.079 nan 4.420 nan 0.000 0.214 664 P C 1.682 178.976 177.300 -0.009 0.000 1.162 664 P CA 1.578 64.683 63.100 0.007 0.000 0.879 664 P CB 0.113 31.812 31.700 -0.002 0.000 0.786 665 G N 0.016 108.806 108.800 -0.016 0.000 2.498 665 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 665 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 665 G C 0.621 175.509 174.900 -0.021 0.000 1.119 665 G CA 0.036 45.121 45.100 -0.024 0.000 0.766 665 G HN 0.332 nan 8.290 nan 0.000 0.552 666 R N -0.411 120.080 120.500 -0.015 0.000 2.664 666 R HA 0.488 4.828 4.340 -0.000 0.000 0.286 666 R C -0.344 175.947 176.300 -0.015 0.000 0.967 666 R CA -0.965 55.124 56.100 -0.017 0.000 0.933 666 R CB 1.072 31.361 30.300 -0.018 0.000 1.146 666 R HN -0.005 nan 8.270 nan 0.000 0.468 667 L N 2.021 123.234 121.223 -0.017 0.000 2.862 667 L HA 0.116 4.456 4.340 -0.000 0.000 0.240 667 L C -0.095 176.765 176.870 -0.017 0.000 1.283 667 L CA 0.012 54.843 54.840 -0.015 0.000 1.117 667 L CB 0.033 42.083 42.059 -0.015 0.000 1.444 667 L HN 0.788 nan 8.230 nan 0.000 0.456 668 S N -1.705 113.984 115.700 -0.019 0.000 2.317 668 S HA 0.381 4.851 4.470 -0.000 0.000 0.144 668 S C -2.566 172.020 174.600 -0.022 0.000 1.660 668 S CA -1.279 56.907 58.200 -0.023 0.000 1.273 668 S CB 0.524 63.706 63.200 -0.030 0.000 1.330 668 S HN -0.090 nan 8.310 nan 0.000 0.395 669 P HA 0.156 nan 4.420 nan 0.000 0.258 669 P C 0.499 177.781 177.300 -0.029 0.000 1.172 669 P CA 0.033 63.120 63.100 -0.022 0.000 0.762 669 P CB 0.421 32.109 31.700 -0.020 0.000 0.764 670 R N 2.348 122.831 120.500 -0.027 0.000 2.313 670 R HA 0.393 4.733 4.340 -0.000 0.000 0.199 670 R C 0.303 176.580 176.300 -0.038 0.000 0.958 670 R CA 0.484 56.573 56.100 -0.018 0.000 1.047 670 R CB 0.074 30.387 30.300 0.021 0.000 0.955 670 R HN 0.619 nan 8.270 nan 0.000 0.481 671 A N -2.007 120.770 122.820 -0.072 0.000 2.438 671 A HA 0.537 4.857 4.320 -0.000 0.000 0.301 671 A C -1.284 176.208 177.584 -0.152 0.000 1.101 671 A CA -0.264 51.706 52.037 -0.112 0.000 0.621 671 A CB 0.684 19.594 19.000 -0.151 0.000 1.350 671 A HN 0.168 nan 8.150 nan 0.000 0.496 672 T N -2.085 112.352 114.554 -0.196 0.000 2.885 672 T HA 0.663 5.013 4.350 -0.000 0.000 0.322 672 T C -0.839 173.720 174.700 -0.235 0.000 1.387 672 T CA -0.540 61.444 62.100 -0.193 0.000 1.041 672 T CB 0.580 69.423 68.868 -0.042 0.000 1.287 672 T HN 0.783 nan 8.240 nan 0.000 0.491 673 F N 1.500 121.471 119.950 0.035 0.000 2.418 673 F HA 0.412 4.939 4.527 -0.000 0.000 0.341 673 F C 2.172 178.005 175.800 0.054 0.000 1.120 673 F CA -0.546 57.485 58.000 0.052 0.000 1.232 673 F CB 1.035 40.051 39.000 0.027 0.000 1.175 673 F HN 0.777 nan 8.300 nan 0.000 0.569 674 Q N 0.976 120.928 119.800 0.255 0.000 2.096 674 Q HA -0.169 4.171 4.340 -0.000 0.000 0.197 674 Q C 1.912 178.003 176.000 0.152 0.000 0.964 674 Q CA 1.286 57.185 55.803 0.160 0.000 0.838 674 Q CB 0.014 28.831 28.738 0.132 0.000 0.906 674 Q HN 0.767 nan 8.270 nan 0.000 0.444 675 E N -0.396 119.913 120.200 0.182 0.000 2.130 675 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 675 E C 1.496 178.157 176.600 0.102 0.000 0.998 675 E CA 1.969 58.450 56.400 0.134 0.000 0.806 675 E CB -0.188 29.601 29.700 0.149 0.000 0.738 675 E HN 0.305 nan 8.360 nan 0.000 0.459 676 T N -2.368 112.256 114.554 0.116 0.000 2.955 676 T HA 0.163 4.513 4.350 -0.000 0.000 0.251 676 T C 0.793 175.550 174.700 0.094 0.000 1.002 676 T CA 0.674 62.826 62.100 0.087 0.000 0.970 676 T CB -0.140 68.768 68.868 0.067 0.000 1.091 676 T HN 0.281 nan 8.240 nan 0.000 0.495 677 K N -0.093 120.380 120.400 0.121 0.000 3.609 677 K HA -0.149 4.171 4.320 -0.000 0.000 0.277 677 K C -0.336 176.317 176.600 0.088 0.000 1.196 677 K CA 0.876 57.218 56.287 0.092 0.000 1.022 677 K CB -1.387 31.150 32.500 0.062 0.000 1.292 677 K HN 0.351 nan 8.250 nan 0.000 0.484 678 N N 0.194 118.964 118.700 0.117 0.000 2.347 678 N HA 0.117 4.857 4.740 -0.000 0.000 0.253 678 N C 0.827 176.418 175.510 0.134 0.000 1.274 678 N CA 0.313 53.428 53.050 0.109 0.000 0.941 678 N CB 0.526 39.077 38.487 0.107 0.000 1.200 678 N HN 0.276 nan 8.380 nan 0.000 0.514 679 R N -1.338 119.219 120.500 0.094 0.000 2.313 679 R HA 0.229 4.569 4.340 -0.000 0.000 0.199 679 R C -0.222 176.182 176.300 0.173 0.000 0.958 679 R CA 0.138 56.270 56.100 0.055 0.000 1.047 679 R CB -0.429 29.885 30.300 0.024 0.000 0.955 679 R HN 0.423 nan 8.270 nan 0.000 0.481 680 S N -0.607 115.278 115.700 0.307 0.000 2.656 680 S HA 0.758 5.228 4.470 -0.000 0.000 0.273 680 S C -1.110 173.606 174.600 0.193 0.000 1.168 680 S CA -0.734 57.699 58.200 0.390 0.000 0.817 680 S CB 1.577 64.886 63.200 0.182 0.000 1.146 680 S HN 0.354 nan 8.310 nan 0.000 0.475 681 L N -2.066 119.078 121.223 -0.131 0.000 2.710 681 L HA 0.972 5.311 4.340 -0.000 0.000 0.260 681 L C -0.970 175.735 176.870 -0.274 0.000 0.993 681 L CA -0.427 54.249 54.840 -0.273 0.000 0.877 681 L CB 1.446 43.180 42.059 -0.541 0.000 1.461 681 L HN 0.895 nan 8.230 nan 0.000 0.413 682 S N 0.626 116.219 115.700 -0.178 0.000 2.541 682 S HA 0.892 5.362 4.470 -0.000 0.000 0.280 682 S C -1.249 173.299 174.600 -0.087 0.000 1.112 682 S CA -0.642 57.483 58.200 -0.123 0.000 0.925 682 S CB 1.342 64.510 63.200 -0.053 0.000 1.067 682 S HN 0.834 nan 8.310 nan 0.000 0.479 683 R N 2.317 122.785 120.500 -0.053 0.000 2.535 683 R HA 0.375 4.715 4.340 -0.000 0.000 0.274 683 R C -1.732 174.581 176.300 0.022 0.000 1.090 683 R CA -0.722 55.381 56.100 0.005 0.000 0.930 683 R CB 1.938 32.274 30.300 0.060 0.000 1.223 683 R HN 0.463 nan 8.270 nan 0.000 0.441 684 V N 4.506 124.431 119.914 0.018 0.000 2.385 684 V HA 0.413 4.533 4.120 -0.000 0.000 0.269 684 V C 0.285 176.376 176.094 -0.005 0.000 1.043 684 V CA -0.167 62.138 62.300 0.008 0.000 0.906 684 V CB 0.726 32.551 31.823 0.004 0.000 0.995 684 V HN 0.584 nan 8.190 nan 0.000 0.467 685 R N 3.070 123.546 120.500 -0.039 0.000 2.837 685 R HA 0.644 4.984 4.340 -0.000 0.000 0.271 685 R C -1.168 175.015 176.300 -0.195 0.000 0.993 685 R CA -0.943 55.087 56.100 -0.116 0.000 0.931 685 R CB 2.530 32.737 30.300 -0.155 0.000 1.206 685 R HN 0.450 nan 8.270 nan 0.000 0.474 686 V N 3.805 123.583 119.914 -0.225 0.000 2.488 686 V HA 0.317 4.436 4.120 -0.000 0.000 0.277 686 V C -0.173 175.785 176.094 -0.226 0.000 1.046 686 V CA -0.217 61.984 62.300 -0.165 0.000 0.986 686 V CB 0.571 32.345 31.823 -0.082 0.000 0.989 686 V HN 0.498 nan 8.190 nan 0.000 0.475 687 L N 6.315 127.462 121.223 -0.127 0.000 2.400 687 L HA 0.923 5.263 4.340 -0.000 0.000 0.264 687 L C 0.651 177.506 176.870 -0.025 0.000 1.061 687 L CA -0.065 54.728 54.840 -0.077 0.000 0.799 687 L CB 1.764 43.794 42.059 -0.048 0.000 1.240 687 L HN 0.815 nan 8.230 nan 0.000 0.461 688 G N -0.368 108.436 108.800 0.007 0.000 2.649 688 G HA2 0.402 4.362 3.960 -0.000 0.000 0.290 688 G HA3 0.402 4.362 3.960 -0.000 0.000 0.290 688 G C -0.191 174.722 174.900 0.021 0.000 1.426 688 G CA -0.660 44.447 45.100 0.011 0.000 0.794 688 G HN 0.523 nan 8.290 nan 0.000 0.483 689 L N -1.566 119.664 121.223 0.011 0.000 2.456 689 L HA 0.412 4.752 4.340 -0.000 0.000 0.224 689 L C 1.012 177.916 176.870 0.058 0.000 1.148 689 L CA 0.867 55.718 54.840 0.019 0.000 0.825 689 L CB -0.587 41.470 42.059 -0.005 0.000 0.937 689 L HN 0.206 nan 8.230 nan 0.000 0.450 690 K N 1.844 122.274 120.400 0.050 0.000 2.183 690 K HA 0.663 4.982 4.320 -0.000 0.000 0.274 690 K C 0.123 176.769 176.600 0.077 0.000 1.009 690 K CA -0.080 56.236 56.287 0.049 0.000 0.888 690 K CB 1.097 33.611 32.500 0.023 0.000 1.078 690 K HN 0.261 nan 8.250 nan 0.000 0.459 691 A N 3.333 126.192 122.820 0.064 0.000 2.615 691 A HA 0.022 4.341 4.320 -0.000 0.000 0.230 691 A C -0.632 177.012 177.584 0.099 0.000 1.062 691 A CA 0.594 52.678 52.037 0.078 0.000 0.758 691 A CB -0.314 18.651 19.000 -0.058 0.000 0.995 691 A HN 0.907 nan 8.150 nan 0.000 0.511 692 H N -0.146 118.931 119.070 0.012 0.000 2.991 692 H HA 0.479 5.035 4.556 -0.000 0.000 0.304 692 H C -1.270 174.047 175.328 -0.018 0.000 1.040 692 H CA -0.582 55.462 56.048 -0.008 0.000 1.410 692 H CB 0.636 30.399 29.762 0.001 0.000 1.529 692 H HN 0.649 nan 8.280 nan 0.000 0.509 693 c N 4.269 122.673 118.600 -0.328 0.000 2.295 693 c HA 0.471 5.041 4.570 -0.000 0.000 0.331 693 c C -0.061 173.802 174.090 -0.379 0.000 1.280 693 c CA -0.513 55.666 56.329 -0.251 0.000 1.746 693 c CB 0.122 42.531 42.510 -0.168 0.000 2.328 693 c HN 0.883 nan 8.230 nan 0.000 0.521 694 E N 2.836 122.868 120.200 -0.281 0.000 2.275 694 E HA 0.410 4.759 4.350 -0.000 0.000 0.270 694 E C -1.224 175.111 176.600 -0.442 0.000 0.882 694 E CA -0.382 55.785 56.400 -0.388 0.000 0.758 694 E CB 1.081 30.537 29.700 -0.407 0.000 1.195 694 E HN 0.833 nan 8.360 nan 0.000 0.419 695 N N 3.017 121.451 118.700 -0.444 0.000 2.430 695 N HA 0.418 5.157 4.740 -0.000 0.000 0.292 695 N C -1.322 173.924 175.510 -0.439 0.000 1.051 695 N CA -0.337 52.534 53.050 -0.298 0.000 0.917 695 N CB 0.670 39.084 38.487 -0.121 0.000 1.164 695 N HN 0.176 nan 8.380 nan 0.000 0.484 696 F N -0.270 119.736 119.950 0.093 0.000 2.523 696 F HA 0.460 4.987 4.527 -0.000 0.000 0.329 696 F C 0.481 176.392 175.800 0.185 0.000 1.061 696 F CA -1.064 57.021 58.000 0.141 0.000 0.967 696 F CB 1.270 40.377 39.000 0.179 0.000 1.218 696 F HN 0.268 nan 8.300 nan 0.000 0.480 697 N N 1.720 120.649 118.700 0.383 0.000 2.455 697 N HA 0.538 5.278 4.740 -0.000 0.000 0.280 697 N C -1.293 174.371 175.510 0.257 0.000 1.055 697 N CA -0.320 52.881 53.050 0.253 0.000 0.961 697 N CB 1.465 40.056 38.487 0.173 0.000 1.121 697 N HN 0.307 nan 8.380 nan 0.000 0.476 698 L N 1.859 123.166 121.223 0.141 0.000 2.354 698 L HA 0.543 4.883 4.340 -0.000 0.000 0.269 698 L C -0.721 176.146 176.870 -0.005 0.000 1.005 698 L CA -0.609 54.242 54.840 0.018 0.000 0.819 698 L CB 1.566 43.610 42.059 -0.025 0.000 1.311 698 L HN 0.267 nan 8.230 nan 0.000 0.423 699 L N 3.669 124.866 121.223 -0.043 0.000 2.342 699 L HA 0.512 4.852 4.340 -0.000 0.000 0.276 699 L C -0.744 176.098 176.870 -0.046 0.000 0.997 699 L CA -0.012 54.813 54.840 -0.026 0.000 0.838 699 L CB 1.304 43.360 42.059 -0.006 0.000 1.224 699 L HN 0.373 nan 8.230 nan 0.000 0.416 700 L N 6.089 127.288 121.223 -0.040 0.000 2.265 700 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 700 L C -1.888 174.970 176.870 -0.019 0.000 1.058 700 L CA -1.792 53.026 54.840 -0.037 0.000 0.809 700 L CB 1.203 43.236 42.059 -0.043 0.000 1.179 700 L HN 0.342 nan 8.230 nan 0.000 0.429 701 P HA 0.014 nan 4.420 nan 0.000 0.268 701 P C 0.647 177.938 177.300 -0.016 0.000 1.204 701 P CA -0.189 62.900 63.100 -0.018 0.000 0.768 701 P CB 1.027 32.712 31.700 -0.026 0.000 0.842 702 S N 2.091 117.784 115.700 -0.011 0.000 2.372 702 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 702 S C 0.772 175.355 174.600 -0.028 0.000 1.044 702 S CA 0.834 59.031 58.200 -0.005 0.000 1.050 702 S CB -1.130 62.071 63.200 0.001 0.000 0.901 702 S HN 0.577 nan 8.310 nan 0.000 0.447 703 c N 1.980 120.552 118.600 -0.047 0.000 2.319 703 c HA 0.899 5.469 4.570 -0.000 0.000 0.335 703 c C 0.003 174.027 174.090 -0.110 0.000 1.274 703 c CA -0.885 55.394 56.329 -0.085 0.000 1.806 703 c CB 0.552 43.024 42.510 -0.063 0.000 2.329 703 c HN 0.419 nan 8.230 nan 0.000 0.524 704 V N 2.656 122.460 119.914 -0.184 0.000 3.048 704 V HA 0.278 4.398 4.120 -0.000 0.000 0.303 704 V C 0.252 176.197 176.094 -0.249 0.000 1.214 704 V CA -0.460 61.728 62.300 -0.186 0.000 0.984 704 V CB 1.830 33.557 31.823 -0.160 0.000 1.054 704 V HN 0.948 nan 8.190 nan 0.000 0.430 705 E N 0.817 120.904 120.200 -0.189 0.000 2.013 705 E HA -0.058 4.291 4.350 -0.000 0.000 0.194 705 E C 0.178 176.638 176.600 -0.233 0.000 0.973 705 E CA 0.687 56.978 56.400 -0.181 0.000 0.842 705 E CB 0.083 29.710 29.700 -0.122 0.000 0.801 705 E HN 0.780 nan 8.360 nan 0.000 0.476 706 D N -0.179 120.094 120.400 -0.212 0.000 2.383 706 D HA -0.002 4.638 4.640 -0.000 0.000 0.252 706 D C 0.246 176.280 176.300 -0.445 0.000 1.166 706 D CA 0.201 54.048 54.000 -0.254 0.000 0.879 706 D CB 1.083 41.772 40.800 -0.185 0.000 1.164 706 D HN 0.113 nan 8.370 nan 0.000 0.462 707 S N 1.600 116.975 115.700 -0.541 0.000 2.619 707 S HA -0.044 4.426 4.470 -0.000 0.000 0.238 707 S C 1.971 176.014 174.600 -0.928 0.000 1.068 707 S CA 0.429 58.007 58.200 -1.036 0.000 0.926 707 S CB -0.536 62.412 63.200 -0.421 0.000 0.864 707 S HN 0.320 nan 8.310 nan 0.000 0.493 708 V N 2.424 122.068 119.914 -0.449 0.000 2.287 708 V HA 0.001 4.120 4.120 -0.000 0.000 0.248 708 V C 1.436 177.406 176.094 -0.205 0.000 1.053 708 V CA 1.701 63.805 62.300 -0.327 0.000 1.027 708 V CB -2.341 29.350 31.823 -0.219 0.000 0.646 708 V HN 0.726 nan 8.190 nan 0.000 0.447 709 T N -0.464 113.979 114.554 -0.185 0.000 2.727 709 T HA 0.482 4.831 4.350 -0.000 0.000 0.295 709 T C -2.253 172.470 174.700 0.039 0.000 0.915 709 T CA -1.714 60.358 62.100 -0.045 0.000 1.066 709 T CB 0.575 69.425 68.868 -0.031 0.000 0.891 709 T HN 0.358 nan 8.240 nan 0.000 0.516 710 P HA 0.096 nan 4.420 nan 0.000 0.269 710 P C 0.298 177.748 177.300 0.250 0.000 1.205 710 P CA -0.374 62.932 63.100 0.344 0.000 0.780 710 P CB 0.258 32.069 31.700 0.184 0.000 0.858 711 I N -1.506 119.186 120.570 0.204 0.000 2.371 711 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 711 I C 0.418 176.556 176.117 0.035 0.000 1.028 711 I CA -0.610 60.736 61.300 0.078 0.000 1.345 711 I CB 0.806 38.807 38.000 0.001 0.000 1.407 711 I HN 0.221 nan 8.210 nan 0.000 0.501 712 T N 4.886 119.490 114.554 0.083 0.000 2.904 712 T HA 0.570 4.920 4.350 -0.000 0.000 0.290 712 T C -0.465 174.341 174.700 0.177 0.000 1.018 712 T CA -0.757 61.426 62.100 0.139 0.000 1.075 712 T CB 1.959 70.896 68.868 0.114 0.000 0.986 712 T HN 0.708 nan 8.240 nan 0.000 0.523 713 L N 2.711 124.099 121.223 0.274 0.000 2.491 713 L HA 0.609 4.948 4.340 -0.000 0.000 0.267 713 L C -0.695 176.327 176.870 0.254 0.000 0.971 713 L CA -0.968 54.045 54.840 0.289 0.000 0.857 713 L CB 1.385 43.698 42.059 0.424 0.000 1.226 713 L HN 0.976 nan 8.230 nan 0.000 0.408 714 R N 3.787 124.420 120.500 0.221 0.000 2.732 714 R HA 0.825 5.165 4.340 -0.000 0.000 0.278 714 R C -1.539 174.906 176.300 0.243 0.000 0.976 714 R CA -0.746 55.494 56.100 0.232 0.000 0.963 714 R CB 1.446 31.862 30.300 0.194 0.000 1.150 714 R HN 0.420 nan 8.270 nan 0.000 0.478 715 L N -0.223 121.170 121.223 0.284 0.000 2.341 715 L HA 0.611 4.950 4.340 -0.000 0.000 0.278 715 L C -0.860 176.197 176.870 0.312 0.000 1.005 715 L CA -0.988 54.011 54.840 0.265 0.000 0.818 715 L CB 1.743 43.944 42.059 0.237 0.000 1.259 715 L HN 0.729 nan 8.230 nan 0.000 0.418 716 N N 3.337 122.184 118.700 0.244 0.000 2.434 716 N HA 0.520 5.259 4.740 -0.000 0.000 0.272 716 N C -1.328 174.259 175.510 0.129 0.000 1.040 716 N CA -0.377 52.726 53.050 0.089 0.000 0.956 716 N CB 0.785 39.343 38.487 0.119 0.000 1.108 716 N HN 0.689 nan 8.380 nan 0.000 0.481 717 F N 0.788 120.684 119.950 -0.090 0.000 2.578 717 F HA 0.743 5.270 4.527 -0.000 0.000 0.311 717 F C -0.172 175.590 175.800 -0.064 0.000 1.094 717 F CA -0.685 57.291 58.000 -0.040 0.000 0.923 717 F CB 1.238 40.249 39.000 0.019 0.000 1.230 717 F HN 0.447 nan 8.300 nan 0.000 0.450 718 T N 0.364 114.887 114.554 -0.052 0.000 2.565 718 T HA 0.668 5.018 4.350 -0.000 0.000 0.253 718 T C -1.384 173.340 174.700 0.040 0.000 0.868 718 T CA -0.918 61.100 62.100 -0.137 0.000 1.213 718 T CB 1.162 69.953 68.868 -0.129 0.000 1.518 718 T HN 0.773 nan 8.240 nan 0.000 0.474 719 L N 1.472 122.701 121.223 0.010 0.000 2.442 719 L HA 0.644 4.984 4.340 -0.000 0.000 0.261 719 L C -0.457 176.424 176.870 0.018 0.000 1.000 719 L CA -0.846 54.016 54.840 0.036 0.000 0.882 719 L CB 1.631 43.713 42.059 0.040 0.000 1.207 719 L HN 0.553 nan 8.230 nan 0.000 0.443 720 V N 3.150 123.075 119.914 0.018 0.000 2.904 720 V HA 0.742 4.862 4.120 -0.000 0.000 0.305 720 V C 1.211 177.309 176.094 0.007 0.000 1.067 720 V CA 1.284 63.590 62.300 0.010 0.000 1.044 720 V CB 1.444 33.273 31.823 0.009 0.000 1.050 720 V HN 0.925 nan 8.190 nan 0.000 0.475 721 G N 3.169 111.972 108.800 0.006 0.000 5.426 721 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.297 721 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.297 721 G C 0.588 175.492 174.900 0.007 0.000 1.422 721 G CA 0.546 45.648 45.100 0.004 0.000 0.938 721 G HN 1.407 nan 8.290 nan 0.000 0.754 722 K N -0.264 120.136 120.400 0.001 0.000 3.230 722 K HA -0.150 4.170 4.320 -0.000 0.000 0.285 722 K C -2.470 174.119 176.600 -0.018 0.000 1.196 722 K CA 1.059 57.347 56.287 0.001 0.000 0.838 722 K CB -1.580 30.932 32.500 0.021 0.000 1.262 722 K HN 0.693 nan 8.250 nan 0.000 0.492 723 P HA 0.379 nan 4.420 nan 0.000 0.301 723 P C -0.659 176.566 177.300 -0.125 0.000 1.348 723 P CA -0.326 62.707 63.100 -0.111 0.000 0.826 723 P CB 0.925 32.569 31.700 -0.093 0.000 0.945 724 L N 5.327 126.447 121.223 -0.172 0.000 2.529 724 L HA 0.183 4.523 4.340 -0.000 0.000 0.258 724 L C 0.623 177.395 176.870 -0.163 0.000 1.032 724 L CA -0.679 54.083 54.840 -0.130 0.000 0.899 724 L CB 1.411 43.422 42.059 -0.080 0.000 1.174 724 L HN 0.303 nan 8.230 nan 0.000 0.458 725 L N 2.516 123.643 121.223 -0.159 0.000 5.712 725 L HA -0.346 3.994 4.340 -0.000 0.000 0.053 725 L C 0.704 177.435 176.870 -0.231 0.000 2.787 725 L CA 2.156 56.909 54.840 -0.146 0.000 1.527 725 L CB -1.041 40.967 42.059 -0.085 0.000 2.908 725 L HN 0.661 nan 8.230 nan 0.000 0.994 726 A N -0.942 121.787 122.820 -0.152 0.000 2.292 726 A HA 0.483 4.803 4.320 -0.000 0.000 0.265 726 A C 0.242 177.688 177.584 -0.231 0.000 1.133 726 A CA 0.518 52.484 52.037 -0.119 0.000 0.807 726 A CB -0.263 18.748 19.000 0.017 0.000 1.102 726 A HN 0.537 nan 8.150 nan 0.000 0.502 727 F N -0.591 119.367 119.950 0.013 0.000 2.873 727 F HA 0.236 4.763 4.527 -0.000 0.000 0.289 727 F C 1.675 177.486 175.800 0.017 0.000 1.206 727 F CA 0.108 58.117 58.000 0.015 0.000 1.401 727 F CB 0.015 39.025 39.000 0.017 0.000 0.996 727 F HN 0.501 nan 8.300 nan 0.000 0.511 728 R N 0.273 120.840 120.500 0.111 0.000 2.317 728 R HA 0.032 4.372 4.340 -0.000 0.000 0.208 728 R C 1.622 177.948 176.300 0.042 0.000 0.914 728 R CA 0.447 56.593 56.100 0.077 0.000 1.060 728 R CB -0.052 30.277 30.300 0.050 0.000 1.015 728 R HN 0.364 nan 8.270 nan 0.000 0.498 729 N N 0.540 119.261 118.700 0.035 0.000 2.499 729 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 729 N C 1.304 176.844 175.510 0.050 0.000 1.034 729 N CA 0.210 53.276 53.050 0.027 0.000 0.882 729 N CB 0.121 38.611 38.487 0.005 0.000 1.125 729 N HN 0.045 nan 8.380 nan 0.000 0.436 730 L N -0.529 120.740 121.223 0.078 0.000 4.438 730 L HA -0.368 3.972 4.340 -0.000 0.000 0.053 730 L C 0.379 177.288 176.870 0.066 0.000 3.682 730 L CA 2.255 57.158 54.840 0.105 0.000 1.233 730 L CB -1.020 41.107 42.059 0.113 0.000 3.182 730 L HN 0.532 nan 8.230 nan 0.000 0.885 731 R N 1.818 122.354 120.500 0.060 0.000 2.239 731 R HA 0.532 4.872 4.340 -0.000 0.000 0.332 731 R C -2.831 173.499 176.300 0.051 0.000 0.988 731 R CA -1.552 54.579 56.100 0.052 0.000 0.859 731 R CB 1.519 31.851 30.300 0.053 0.000 1.148 731 R HN 0.011 nan 8.270 nan 0.000 0.482 732 P HA 0.377 nan 4.420 nan 0.000 0.279 732 P C -0.742 176.601 177.300 0.072 0.000 1.276 732 P CA -0.747 62.388 63.100 0.058 0.000 0.801 732 P CB 1.070 32.797 31.700 0.045 0.000 1.127 733 M N -1.849 117.811 119.600 0.101 0.000 3.419 733 M HA 0.492 4.972 4.480 -0.000 0.000 0.287 733 M C -1.817 174.573 176.300 0.149 0.000 1.333 733 M CA -0.892 54.473 55.300 0.108 0.000 0.843 733 M CB 1.009 33.684 32.600 0.125 0.000 1.686 733 M HN -0.072 nan 8.290 nan 0.000 0.491 734 L N 1.047 122.337 121.223 0.112 0.000 2.365 734 L HA 0.942 5.281 4.340 -0.000 0.000 0.267 734 L C 0.395 177.323 176.870 0.097 0.000 1.033 734 L CA -0.914 54.002 54.840 0.127 0.000 0.802 734 L CB 1.621 43.685 42.059 0.008 0.000 1.267 734 L HN 0.950 nan 8.230 nan 0.000 0.457 735 A N 0.339 123.195 122.820 0.061 0.000 2.301 735 A HA 0.655 4.975 4.320 -0.000 0.000 0.287 735 A C 1.042 178.311 177.584 -0.525 0.000 1.274 735 A CA 0.445 52.363 52.037 -0.199 0.000 0.865 735 A CB 0.119 19.006 19.000 -0.188 0.000 1.324 735 A HN 0.858 nan 8.150 nan 0.000 0.508 736 A N -0.711 121.660 122.820 -0.749 0.000 1.832 736 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 736 A C 0.691 178.069 177.584 -0.343 0.000 1.200 736 A CA 1.580 53.274 52.037 -0.572 0.000 0.610 736 A CB -0.757 17.934 19.000 -0.514 0.000 0.842 736 A HN 0.660 nan 8.150 nan 0.000 0.444 737 D N 1.023 121.242 120.400 -0.301 0.000 2.541 737 D HA 0.421 5.061 4.640 -0.000 0.000 0.231 737 D C -0.339 175.855 176.300 -0.176 0.000 1.163 737 D CA 0.630 54.505 54.000 -0.209 0.000 1.077 737 D CB -0.071 40.619 40.800 -0.183 0.000 1.110 737 D HN 0.363 nan 8.370 nan 0.000 0.499 738 A N 2.734 125.449 122.820 -0.175 0.000 2.412 738 A HA 0.173 4.493 4.320 -0.000 0.000 0.334 738 A C 0.547 178.010 177.584 -0.203 0.000 1.419 738 A CA -0.729 51.221 52.037 -0.144 0.000 0.930 738 A CB 0.482 19.363 19.000 -0.198 0.000 1.149 738 A HN 0.124 nan 8.150 nan 0.000 0.515 739 Q N 2.162 121.854 119.800 -0.181 0.000 2.945 739 Q HA 0.067 4.407 4.340 -0.000 0.000 0.323 739 Q C 0.813 176.303 176.000 -0.850 0.000 1.188 739 Q CA -0.025 55.509 55.803 -0.448 0.000 0.929 739 Q CB -0.196 28.297 28.738 -0.407 0.000 1.531 739 Q HN 0.761 nan 8.270 nan 0.000 0.444 740 R N -0.234 119.924 120.500 -0.570 0.000 2.261 740 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 740 R C -0.114 175.881 176.300 -0.508 0.000 1.141 740 R CA 0.969 56.695 56.100 -0.624 0.000 1.001 740 R CB 0.053 29.792 30.300 -0.936 0.000 0.866 740 R HN 0.250 nan 8.270 nan 0.000 0.468 741 Y N 0.019 120.094 120.300 -0.374 0.000 2.594 741 Y HA 0.217 4.767 4.550 -0.000 0.000 0.342 741 Y C -0.554 175.176 175.900 -0.282 0.000 1.010 741 Y CA -0.933 57.042 58.100 -0.209 0.000 1.270 741 Y CB 0.162 38.541 38.460 -0.135 0.000 1.125 741 Y HN -0.198 nan 8.280 nan 0.000 0.513 742 F N 1.085 121.204 119.950 0.283 0.000 2.444 742 F HA 0.554 5.081 4.527 -0.000 0.000 0.342 742 F C 0.284 176.190 175.800 0.177 0.000 1.121 742 F CA -0.974 57.146 58.000 0.201 0.000 0.997 742 F CB 1.812 40.912 39.000 0.166 0.000 1.130 742 F HN 0.119 nan 8.300 nan 0.000 0.454 743 T N 2.532 117.291 114.554 0.342 0.000 2.841 743 T HA 0.827 5.177 4.350 -0.000 0.000 0.283 743 T C -0.764 174.069 174.700 0.221 0.000 1.000 743 T CA -0.751 61.499 62.100 0.249 0.000 0.977 743 T CB 1.761 70.747 68.868 0.197 0.000 0.979 743 T HN 0.680 nan 8.240 nan 0.000 0.446 744 A N 2.121 125.073 122.820 0.220 0.000 2.386 744 A HA 0.837 5.157 4.320 -0.000 0.000 0.311 744 A C 0.103 177.944 177.584 0.429 0.000 1.068 744 A CA -0.853 51.320 52.037 0.227 0.000 0.743 744 A CB 1.190 20.217 19.000 0.045 0.000 1.258 744 A HN 0.877 nan 8.150 nan 0.000 0.429 745 S N 1.301 117.243 115.700 0.404 0.000 2.608 745 S HA 0.732 5.202 4.470 -0.000 0.000 0.291 745 S C -0.540 174.228 174.600 0.280 0.000 1.146 745 S CA -0.633 57.757 58.200 0.317 0.000 1.043 745 S CB 1.245 64.559 63.200 0.190 0.000 1.037 745 S HN 0.934 nan 8.310 nan 0.000 0.520 746 L N 2.668 123.798 121.223 -0.155 0.000 2.345 746 L HA 0.519 4.859 4.340 -0.000 0.000 0.274 746 L C -2.759 173.941 176.870 -0.285 0.000 0.999 746 L CA -2.380 52.169 54.840 -0.486 0.000 0.849 746 L CB 2.084 43.390 42.059 -1.255 0.000 1.220 746 L HN 0.529 nan 8.230 nan 0.000 0.422 747 P HA 0.341 nan 4.420 nan 0.000 0.277 747 P C -1.239 175.980 177.300 -0.135 0.000 1.276 747 P CA -0.094 63.023 63.100 0.028 0.000 0.788 747 P CB 0.640 32.380 31.700 0.067 0.000 1.114 748 F N -1.638 118.295 119.950 -0.028 0.000 2.579 748 F HA 0.316 4.843 4.527 -0.000 0.000 0.324 748 F C 0.942 176.713 175.800 -0.048 0.000 1.058 748 F CA -0.880 57.115 58.000 -0.009 0.000 0.944 748 F CB 0.966 40.002 39.000 0.061 0.000 1.245 748 F HN 0.237 nan 8.300 nan 0.000 0.477 749 E N 2.387 122.643 120.200 0.094 0.000 1.775 749 E HA 0.057 4.407 4.350 -0.000 0.000 0.266 749 E C -0.374 176.141 176.600 -0.142 0.000 1.191 749 E CA -0.530 55.848 56.400 -0.037 0.000 1.048 749 E CB 0.141 29.791 29.700 -0.084 0.000 1.081 749 E HN 0.385 nan 8.360 nan 0.000 0.434 750 K N 3.338 123.681 120.400 -0.096 0.000 2.511 750 K HA -0.065 4.255 4.320 -0.000 0.000 0.280 750 K C -0.623 175.864 176.600 -0.188 0.000 1.008 750 K CA 0.023 56.208 56.287 -0.170 0.000 1.050 750 K CB 0.155 32.530 32.500 -0.208 0.000 0.889 750 K HN 0.323 nan 8.250 nan 0.000 0.484 751 N N 3.816 122.366 118.700 -0.250 0.000 2.400 751 N HA -0.040 4.700 4.740 -0.000 0.000 0.278 751 N C 0.119 175.604 175.510 -0.042 0.000 1.247 751 N CA 0.037 52.977 53.050 -0.183 0.000 0.970 751 N CB -0.409 37.985 38.487 -0.155 0.000 1.312 751 N HN 0.614 nan 8.380 nan 0.000 0.488 752 c N 0.766 119.364 118.600 -0.004 0.000 2.454 752 c HA 0.649 5.219 4.570 -0.000 0.000 0.321 752 c C 0.961 175.103 174.090 0.087 0.000 1.299 752 c CA -0.278 56.097 56.329 0.077 0.000 1.683 752 c CB -1.594 40.991 42.510 0.124 0.000 1.772 752 c HN 0.679 nan 8.230 nan 0.000 0.596 753 G N -0.898 107.924 108.800 0.037 0.000 2.357 753 G HA2 0.427 4.387 3.960 -0.000 0.000 0.643 753 G HA3 0.427 4.387 3.960 -0.000 0.000 0.643 753 G C 0.290 175.203 174.900 0.022 0.000 1.358 753 G CA -0.344 44.775 45.100 0.032 0.000 0.986 753 G HN 1.139 nan 8.290 nan 0.000 0.620 754 A N -0.303 122.529 122.820 0.020 0.000 2.248 754 A HA 0.436 4.756 4.320 -0.000 0.000 0.210 754 A C 1.110 178.707 177.584 0.022 0.000 1.174 754 A CA 2.505 54.552 52.037 0.016 0.000 0.750 754 A CB -0.612 18.397 19.000 0.015 0.000 0.780 754 A HN 1.779 nan 8.150 nan 0.000 0.478 755 D N -5.713 114.714 120.400 0.045 0.000 3.650 755 D HA 0.237 4.877 4.640 -0.000 0.000 0.341 755 D C 0.298 176.678 176.300 0.132 0.000 1.479 755 D CA 0.221 54.256 54.000 0.057 0.000 0.963 755 D CB -0.127 40.704 40.800 0.051 0.000 1.449 755 D HN 0.302 nan 8.370 nan 0.000 0.601 756 H N -1.373 117.689 119.070 -0.013 0.000 3.642 756 H HA -0.207 4.349 4.556 -0.000 0.000 0.185 756 H C 0.936 176.256 175.328 -0.012 0.000 0.992 756 H CA 1.576 57.617 56.048 -0.011 0.000 1.216 756 H CB -1.086 28.670 29.762 -0.010 0.000 1.055 756 H HN 0.802 nan 8.280 nan 0.000 0.351 757 I N -1.787 118.712 120.570 -0.118 0.000 5.508 757 I HA -0.343 3.827 4.170 -0.000 0.000 0.174 757 I C 0.601 176.623 176.117 -0.158 0.000 1.811 757 I CA 1.259 62.471 61.300 -0.146 0.000 1.866 757 I CB -1.934 35.971 38.000 -0.158 0.000 3.340 757 I HN 0.842 nan 8.210 nan 0.000 0.193 758 c N 2.215 120.708 118.600 -0.178 0.000 2.329 758 c HA -0.157 4.413 4.570 -0.000 0.000 0.248 758 c C 0.639 174.674 174.090 -0.091 0.000 1.015 758 c CA 0.508 56.791 56.329 -0.076 0.000 2.869 758 c CB -1.501 40.998 42.510 -0.018 0.000 1.688 758 c HN 0.503 nan 8.230 nan 0.000 0.347 759 Q N 1.930 121.663 119.800 -0.112 0.000 2.303 759 Q HA 0.270 4.610 4.340 -0.000 0.000 0.257 759 Q C -0.085 175.906 176.000 -0.015 0.000 0.941 759 Q CA -0.035 55.726 55.803 -0.071 0.000 0.931 759 Q CB 1.349 30.030 28.738 -0.095 0.000 1.215 759 Q HN 0.549 nan 8.270 nan 0.000 0.437 760 D N 2.677 123.077 120.400 0.000 0.000 2.393 760 D HA 0.105 4.745 4.640 -0.000 0.000 0.232 760 D C -0.367 175.948 176.300 0.023 0.000 1.192 760 D CA 0.038 54.053 54.000 0.024 0.000 0.882 760 D CB 0.299 41.121 40.800 0.037 0.000 1.038 760 D HN 0.272 nan 8.370 nan 0.000 0.499 761 N N 3.500 122.213 118.700 0.022 0.000 2.573 761 N HA 0.341 5.081 4.740 -0.000 0.000 0.262 761 N C -1.602 173.938 175.510 0.051 0.000 1.029 761 N CA -0.402 52.663 53.050 0.024 0.000 0.882 761 N CB 0.557 39.044 38.487 -0.000 0.000 1.204 761 N HN 0.201 nan 8.380 nan 0.000 0.519 762 L N 1.539 122.819 121.223 0.094 0.000 2.431 762 L HA 0.789 5.129 4.340 -0.000 0.000 0.266 762 L C 0.682 177.681 176.870 0.215 0.000 0.978 762 L CA -1.137 53.808 54.840 0.175 0.000 0.822 762 L CB 2.255 44.433 42.059 0.199 0.000 1.310 762 L HN 0.462 nan 8.230 nan 0.000 0.409 763 G N 1.817 110.838 108.800 0.368 0.000 2.597 763 G HA2 0.865 4.825 3.960 -0.000 0.000 0.317 763 G HA3 0.865 4.825 3.960 -0.000 0.000 0.317 763 G C -1.500 173.763 174.900 0.606 0.000 1.230 763 G CA -0.598 44.792 45.100 0.484 0.000 0.996 763 G HN 0.600 nan 8.290 nan 0.000 0.490 764 I N -1.047 119.830 120.570 0.511 0.000 2.842 764 I HA 0.676 4.846 4.170 -0.000 0.000 0.297 764 I C -1.343 174.682 176.117 -0.152 0.000 1.380 764 I CA -0.587 60.768 61.300 0.092 0.000 1.018 764 I CB 2.192 40.241 38.000 0.080 0.000 1.311 764 I HN 0.713 nan 8.210 nan 0.000 0.439 765 S N 5.585 120.935 115.700 -0.585 0.000 2.542 765 S HA 0.791 5.261 4.470 -0.000 0.000 0.276 765 S C -1.541 172.590 174.600 -0.782 0.000 1.148 765 S CA -0.488 56.984 58.200 -1.213 0.000 0.886 765 S CB 1.235 63.952 63.200 -0.806 0.000 1.109 765 S HN 0.660 nan 8.310 nan 0.000 0.458 766 F N 1.233 120.745 119.950 -0.731 0.000 2.643 766 F HA 0.938 5.465 4.527 -0.000 0.000 0.314 766 F C -0.307 175.361 175.800 -0.221 0.000 1.096 766 F CA -0.561 57.228 58.000 -0.350 0.000 0.953 766 F CB 1.132 40.001 39.000 -0.219 0.000 1.345 766 F HN 0.639 nan 8.300 nan 0.000 0.468 767 S N -0.084 115.615 115.700 -0.000 0.000 2.840 767 S HA 0.812 5.282 4.470 -0.000 0.000 0.307 767 S C -1.818 172.575 174.600 -0.345 0.000 1.180 767 S CA -0.749 57.392 58.200 -0.097 0.000 0.846 767 S CB 1.791 64.972 63.200 -0.031 0.000 1.233 767 S HN 0.564 nan 8.310 nan 0.000 0.548 768 F N 1.435 121.462 119.950 0.129 0.000 2.552 768 F HA 0.488 5.015 4.527 -0.000 0.000 0.369 768 F C -2.719 173.104 175.800 0.038 0.000 1.112 768 F CA -1.950 56.092 58.000 0.071 0.000 1.129 768 F CB 1.304 40.343 39.000 0.064 0.000 1.360 768 F HN 0.276 nan 8.300 nan 0.000 0.473 769 P HA 0.222 nan 4.420 nan 0.000 0.264 769 P C 0.892 178.245 177.300 0.089 0.000 1.236 769 P CA 0.762 63.917 63.100 0.092 0.000 0.811 769 P CB 0.472 32.202 31.700 0.051 0.000 0.840 770 G N 2.686 111.531 108.800 0.075 0.000 2.179 770 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 770 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 770 G C 0.008 174.936 174.900 0.046 0.000 0.977 770 G CA -0.181 44.950 45.100 0.051 0.000 0.641 770 G HN 0.598 nan 8.290 nan 0.000 0.533 771 L N 1.878 123.142 121.223 0.068 0.000 2.638 771 L HA 0.475 4.815 4.340 -0.000 0.000 0.273 771 L C 0.839 177.711 176.870 0.004 0.000 1.147 771 L CA 0.236 55.089 54.840 0.022 0.000 0.941 771 L CB -0.015 42.047 42.059 0.005 0.000 1.251 771 L HN 0.350 nan 8.230 nan 0.000 0.479 772 K N 3.269 123.662 120.400 -0.012 0.000 2.414 772 K HA 0.472 4.792 4.320 -0.000 0.000 0.251 772 K C 0.569 177.152 176.600 -0.029 0.000 1.037 772 K CA 0.062 56.342 56.287 -0.012 0.000 0.980 772 K CB 0.970 33.469 32.500 -0.003 0.000 1.280 772 K HN 0.628 nan 8.250 nan 0.000 0.451 773 S N 2.517 118.195 115.700 -0.037 0.000 1.630 773 S HA -0.231 4.239 4.470 -0.000 0.000 0.242 773 S C 0.074 174.626 174.600 -0.080 0.000 0.845 773 S CA 1.042 59.215 58.200 -0.045 0.000 1.337 773 S CB -1.348 61.837 63.200 -0.026 0.000 1.633 773 S HN 1.479 nan 8.310 nan 0.000 0.521 774 L N 0.695 121.863 121.223 -0.092 0.000 3.521 774 L HA -0.077 4.263 4.340 -0.000 0.000 0.653 774 L C -0.498 176.281 176.870 -0.152 0.000 1.077 774 L CA 1.539 56.301 54.840 -0.131 0.000 1.144 774 L CB -1.565 40.386 42.059 -0.179 0.000 1.447 774 L HN 0.911 nan 8.230 nan 0.000 0.811 775 L N 2.267 123.419 121.223 -0.118 0.000 2.334 775 L HA 0.899 5.238 4.340 -0.000 0.000 0.272 775 L C 0.104 176.902 176.870 -0.121 0.000 1.020 775 L CA -0.799 53.957 54.840 -0.139 0.000 0.812 775 L CB 1.615 43.647 42.059 -0.045 0.000 1.264 775 L HN 0.053 nan 8.230 nan 0.000 0.439 776 V N 3.494 123.315 119.914 -0.155 0.000 2.370 776 V HA 0.614 4.734 4.120 -0.000 0.000 0.257 776 V C 0.976 177.096 176.094 0.043 0.000 1.064 776 V CA 0.902 63.172 62.300 -0.050 0.000 0.975 776 V CB -0.656 31.168 31.823 0.001 0.000 1.067 776 V HN 1.206 nan 8.190 nan 0.000 0.485 777 G N 3.885 112.700 108.800 0.026 0.000 4.220 777 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.197 777 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.197 777 G C 0.356 175.266 174.900 0.016 0.000 1.518 777 G CA 0.195 45.318 45.100 0.038 0.000 0.955 777 G HN 0.578 nan 8.290 nan 0.000 0.353 778 S N 0.543 116.249 115.700 0.009 0.000 2.686 778 S HA 0.496 4.966 4.470 -0.000 0.000 0.270 778 S C 0.426 175.014 174.600 -0.020 0.000 1.194 778 S CA 0.253 58.451 58.200 -0.004 0.000 0.990 778 S CB 0.478 63.678 63.200 -0.001 0.000 1.029 778 S HN 0.833 nan 8.310 nan 0.000 0.560 779 N N 0.078 118.764 118.700 -0.025 0.000 2.671 779 N HA -0.172 4.568 4.740 -0.000 0.000 0.261 779 N C 0.184 175.671 175.510 -0.037 0.000 1.053 779 N CA 0.305 53.332 53.050 -0.038 0.000 0.732 779 N CB -1.194 37.257 38.487 -0.060 0.000 0.887 779 N HN 0.503 nan 8.380 nan 0.000 0.546 780 L N 0.419 121.629 121.223 -0.023 0.000 2.049 780 L HA -0.041 4.299 4.340 -0.000 0.000 0.203 780 L C 1.365 178.226 176.870 -0.015 0.000 1.074 780 L CA 1.030 55.861 54.840 -0.014 0.000 0.749 780 L CB 0.054 42.109 42.059 -0.007 0.000 0.907 780 L HN 0.447 nan 8.230 nan 0.000 0.439 781 E N 0.780 120.969 120.200 -0.018 0.000 2.366 781 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 781 E C -0.919 175.676 176.600 -0.009 0.000 1.051 781 E CA -0.561 55.830 56.400 -0.015 0.000 0.884 781 E CB 1.374 31.059 29.700 -0.025 0.000 1.006 781 E HN 0.098 nan 8.360 nan 0.000 0.417 782 L N 3.699 124.936 121.223 0.022 0.000 2.345 782 L HA 0.339 4.679 4.340 -0.000 0.000 0.274 782 L C -1.482 175.466 176.870 0.131 0.000 0.999 782 L CA -0.739 54.116 54.840 0.025 0.000 0.849 782 L CB 1.088 43.128 42.059 -0.032 0.000 1.220 782 L HN 0.496 nan 8.230 nan 0.000 0.422 783 N N 4.398 123.177 118.700 0.132 0.000 2.411 783 N HA 0.527 5.267 4.740 -0.000 0.000 0.259 783 N C -0.424 175.245 175.510 0.265 0.000 1.103 783 N CA -0.085 53.055 53.050 0.151 0.000 0.954 783 N CB 1.601 40.140 38.487 0.086 0.000 1.085 783 N HN 0.634 nan 8.380 nan 0.000 0.485 784 A N 1.902 124.811 122.820 0.149 0.000 2.287 784 A HA 0.294 4.614 4.320 -0.000 0.000 0.317 784 A C 0.018 177.502 177.584 -0.165 0.000 1.220 784 A CA -0.749 51.243 52.037 -0.074 0.000 0.835 784 A CB 0.620 19.485 19.000 -0.225 0.000 1.180 784 A HN 0.638 nan 8.150 nan 0.000 0.500 785 E N 2.893 122.981 120.200 -0.188 0.000 2.028 785 E HA 0.384 4.734 4.350 -0.000 0.000 0.266 785 E C -1.300 175.157 176.600 -0.238 0.000 0.962 785 E CA -0.260 56.025 56.400 -0.192 0.000 0.784 785 E CB 0.951 30.579 29.700 -0.120 0.000 1.114 785 E HN 0.459 nan 8.360 nan 0.000 0.414 786 V N 6.413 126.091 119.914 -0.394 0.000 2.383 786 V HA 0.368 4.487 4.120 -0.000 0.000 0.275 786 V C -0.247 175.557 176.094 -0.483 0.000 1.036 786 V CA -0.406 61.658 62.300 -0.393 0.000 0.889 786 V CB 1.328 32.866 31.823 -0.475 0.000 0.985 786 V HN 0.813 nan 8.190 nan 0.000 0.459 787 M N 6.704 126.063 119.600 -0.402 0.000 2.573 787 M HA 0.770 5.250 4.480 -0.000 0.000 0.309 787 M C -1.366 174.597 176.300 -0.561 0.000 1.202 787 M CA -0.390 54.635 55.300 -0.459 0.000 0.975 787 M CB 1.952 34.257 32.600 -0.491 0.000 1.600 787 M HN 0.568 nan 8.290 nan 0.000 0.479 788 V N 2.617 122.184 119.914 -0.578 0.000 3.147 788 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 788 V C -1.913 174.011 176.094 -0.283 0.000 1.302 788 V CA -0.547 61.485 62.300 -0.447 0.000 1.015 788 V CB 2.443 34.188 31.823 -0.130 0.000 1.086 788 V HN 0.949 nan 8.190 nan 0.000 0.437 789 W N 2.469 123.899 121.300 0.218 0.000 2.703 789 W HA 0.566 5.226 4.660 -0.000 0.000 0.359 789 W C -0.160 176.456 176.519 0.162 0.000 1.168 789 W CA -0.633 56.827 57.345 0.191 0.000 1.177 789 W CB 1.638 31.134 29.460 0.060 0.000 1.434 789 W HN 0.644 nan 8.180 nan 0.000 0.618 790 N N 0.972 119.770 118.700 0.163 0.000 2.751 790 N HA 0.067 4.807 4.740 -0.000 0.000 0.234 790 N C -0.871 174.586 175.510 -0.089 0.000 1.403 790 N CA 0.013 52.964 53.050 -0.164 0.000 0.747 790 N CB -0.048 37.915 38.487 -0.873 0.000 1.326 790 N HN 0.104 nan 8.380 nan 0.000 0.532 791 D N 0.180 120.577 120.400 -0.005 0.000 2.336 791 D HA 0.271 4.911 4.640 -0.000 0.000 0.228 791 D C 0.817 177.100 176.300 -0.028 0.000 1.120 791 D CA 0.382 54.366 54.000 -0.027 0.000 0.839 791 D CB 0.438 41.209 40.800 -0.049 0.000 0.932 791 D HN 0.579 nan 8.370 nan 0.000 0.509 792 G N -0.471 108.309 108.800 -0.033 0.000 3.135 792 G HA2 0.316 4.276 3.960 -0.000 0.000 0.278 792 G HA3 0.316 4.276 3.960 -0.000 0.000 0.278 792 G C -0.606 174.291 174.900 -0.005 0.000 1.302 792 G CA -0.494 44.602 45.100 -0.007 0.000 0.880 792 G HN -0.062 nan 8.290 nan 0.000 0.574 793 E N 0.302 120.524 120.200 0.037 0.000 2.458 793 E HA 0.115 4.465 4.350 -0.000 0.000 0.264 793 E C -0.390 176.217 176.600 0.011 0.000 1.097 793 E CA 0.018 56.456 56.400 0.063 0.000 0.973 793 E CB 0.268 30.023 29.700 0.093 0.000 0.963 793 E HN 0.245 nan 8.360 nan 0.000 0.451 794 D N 1.322 121.729 120.400 0.012 0.000 2.450 794 D HA 0.050 4.690 4.640 -0.000 0.000 0.247 794 D C -0.587 175.725 176.300 0.020 0.000 1.162 794 D CA 0.285 54.244 54.000 -0.068 0.000 0.879 794 D CB 0.334 41.053 40.800 -0.136 0.000 1.163 794 D HN 0.344 nan 8.370 nan 0.000 0.472 795 S N 2.134 117.828 115.700 -0.010 0.000 2.475 795 S HA 0.294 4.764 4.470 -0.000 0.000 0.281 795 S C 0.297 174.950 174.600 0.087 0.000 1.198 795 S CA -0.556 57.716 58.200 0.120 0.000 1.063 795 S CB 0.825 64.124 63.200 0.166 0.000 0.972 795 S HN 0.341 nan 8.310 nan 0.000 0.486 796 Y N 3.341 123.699 120.300 0.096 0.000 2.226 796 Y HA 0.339 4.889 4.550 -0.000 0.000 0.281 796 Y C 2.415 178.366 175.900 0.084 0.000 1.107 796 Y CA 1.039 59.192 58.100 0.088 0.000 1.109 796 Y CB -0.670 37.834 38.460 0.072 0.000 1.047 796 Y HN 0.801 nan 8.280 nan 0.000 0.494 797 G N 0.067 109.024 108.800 0.262 0.000 3.530 797 G HA2 0.035 3.995 3.960 -0.000 0.000 0.269 797 G HA3 0.035 3.995 3.960 -0.000 0.000 0.269 797 G C 0.129 175.096 174.900 0.112 0.000 1.314 797 G CA -0.042 45.152 45.100 0.156 0.000 1.441 797 G HN 0.163 nan 8.290 nan 0.000 0.595 798 T N 1.243 115.866 114.554 0.114 0.000 2.891 798 T HA 0.277 4.627 4.350 -0.000 0.000 0.296 798 T C 0.878 175.592 174.700 0.023 0.000 1.025 798 T CA 0.896 63.052 62.100 0.093 0.000 1.149 798 T CB 0.142 69.093 68.868 0.138 0.000 1.007 798 T HN 0.466 nan 8.240 nan 0.000 0.528 799 T N 3.113 117.681 114.554 0.023 0.000 2.912 799 T HA 0.677 5.027 4.350 -0.000 0.000 0.288 799 T C -0.735 173.942 174.700 -0.037 0.000 1.030 799 T CA -1.072 61.018 62.100 -0.017 0.000 1.020 799 T CB 1.544 70.416 68.868 0.007 0.000 1.056 799 T HN 0.545 nan 8.240 nan 0.000 0.480 800 I N 2.706 123.226 120.570 -0.084 0.000 2.497 800 I HA 0.513 4.683 4.170 -0.000 0.000 0.284 800 I C -0.189 175.782 176.117 -0.244 0.000 1.060 800 I CA -0.203 61.010 61.300 -0.145 0.000 1.071 800 I CB 1.633 39.577 38.000 -0.093 0.000 1.216 800 I HN 1.080 nan 8.210 nan 0.000 0.442 801 T N 3.681 118.079 114.554 -0.260 0.000 2.888 801 T HA 0.752 5.102 4.350 -0.000 0.000 0.284 801 T C -0.508 173.994 174.700 -0.331 0.000 1.017 801 T CA -0.386 61.603 62.100 -0.185 0.000 1.022 801 T CB 1.035 69.883 68.868 -0.033 0.000 1.013 801 T HN 0.233 nan 8.240 nan 0.000 0.465 802 F N 1.094 121.116 119.950 0.120 0.000 2.556 802 F HA 0.646 5.173 4.527 -0.000 0.000 0.327 802 F C 0.748 176.621 175.800 0.122 0.000 1.059 802 F CA -0.889 57.187 58.000 0.127 0.000 0.953 802 F CB 2.346 41.427 39.000 0.135 0.000 1.227 802 F HN 0.820 nan 8.300 nan 0.000 0.478 803 S N 0.733 116.612 115.700 0.299 0.000 2.473 803 S HA 0.780 5.250 4.470 -0.000 0.000 0.307 803 S C -1.286 173.426 174.600 0.187 0.000 1.094 803 S CA -0.510 57.787 58.200 0.161 0.000 1.070 803 S CB 0.838 64.115 63.200 0.128 0.000 1.019 803 S HN 0.821 nan 8.310 nan 0.000 0.480 804 H N -0.062 119.103 119.070 0.158 0.000 3.046 804 H HA 0.744 5.300 4.556 -0.000 0.000 0.361 804 H C -3.362 172.152 175.328 0.310 0.000 1.235 804 H CA -2.012 54.116 56.048 0.134 0.000 1.146 804 H CB 0.703 30.459 29.762 -0.010 0.000 1.859 804 H HN 0.412 nan 8.280 nan 0.000 0.548 805 P HA 0.029 nan 4.420 nan 0.000 0.270 805 P C 0.644 178.267 177.300 0.537 0.000 1.223 805 P CA 0.207 63.497 63.100 0.316 0.000 0.785 805 P CB 0.859 32.678 31.700 0.199 0.000 0.923 806 A N 2.651 125.632 122.820 0.268 0.000 2.042 806 A HA -0.145 4.175 4.320 -0.000 0.000 0.222 806 A C 2.156 180.003 177.584 0.437 0.000 1.167 806 A CA 2.040 54.191 52.037 0.190 0.000 0.649 806 A CB -1.811 17.070 19.000 -0.200 0.000 0.809 806 A HN 0.688 nan 8.150 nan 0.000 0.457 807 G N -1.043 107.951 108.800 0.322 0.000 2.916 807 G HA2 0.348 4.308 3.960 -0.000 0.000 0.205 807 G HA3 0.348 4.308 3.960 -0.000 0.000 0.205 807 G C 0.169 175.218 174.900 0.248 0.000 1.163 807 G CA 0.906 46.151 45.100 0.242 0.000 0.821 807 G HN 0.976 nan 8.290 nan 0.000 0.515 808 L N -4.508 116.925 121.223 0.350 0.000 2.794 808 L HA 0.841 5.181 4.340 -0.000 0.000 0.261 808 L C -0.715 176.241 176.870 0.143 0.000 0.989 808 L CA -1.005 53.962 54.840 0.212 0.000 0.900 808 L CB 1.358 43.483 42.059 0.110 0.000 1.473 808 L HN -0.180 nan 8.230 nan 0.000 0.414 809 S N -0.760 114.988 115.700 0.080 0.000 2.671 809 S HA 0.600 5.070 4.470 -0.000 0.000 0.277 809 S C -1.728 172.757 174.600 -0.192 0.000 1.165 809 S CA -0.628 57.537 58.200 -0.057 0.000 0.822 809 S CB 1.431 64.620 63.200 -0.018 0.000 1.150 809 S HN 0.760 nan 8.310 nan 0.000 0.479 810 Y N 2.791 122.772 120.300 -0.531 0.000 2.304 810 Y HA 0.574 5.124 4.550 -0.000 0.000 0.328 810 Y C 0.167 175.845 175.900 -0.371 0.000 1.123 810 Y CA -0.462 57.163 58.100 -0.791 0.000 1.218 810 Y CB 0.550 38.534 38.460 -0.792 0.000 1.207 810 Y HN 0.661 nan 8.280 nan 0.000 0.495 811 R N 5.206 125.035 120.500 -1.119 0.000 2.621 811 R HA 0.317 4.657 4.340 -0.000 0.000 0.292 811 R C -1.814 173.806 176.300 -1.134 0.000 0.969 811 R CA -0.927 54.665 56.100 -0.847 0.000 0.887 811 R CB 0.963 31.018 30.300 -0.409 0.000 1.180 811 R HN 0.705 nan 8.270 nan 0.000 0.450 812 Y N 2.888 122.724 120.300 -0.773 0.000 2.702 812 Y HA -0.045 4.505 4.550 -0.000 0.000 0.336 812 Y C 0.808 176.543 175.900 -0.274 0.000 1.235 812 Y CA 0.428 58.274 58.100 -0.424 0.000 1.492 812 Y CB 0.988 39.347 38.460 -0.168 0.000 1.308 812 Y HN 0.515 nan 8.280 nan 0.000 0.589 813 V N 4.540 124.008 119.914 -0.743 0.000 2.374 813 V HA 0.036 4.155 4.120 -0.000 0.000 0.241 813 V C 1.146 176.993 176.094 -0.412 0.000 1.034 813 V CA 0.927 62.945 62.300 -0.471 0.000 1.037 813 V CB -1.320 30.299 31.823 -0.341 0.000 0.682 813 V HN 1.156 nan 8.190 nan 0.000 0.463 814 A N 0.793 123.183 122.820 -0.717 0.000 2.475 814 A HA -0.192 4.127 4.320 -0.000 0.000 0.295 814 A C 0.222 177.779 177.584 -0.045 0.000 1.457 814 A CA 0.738 52.712 52.037 -0.105 0.000 0.734 814 A CB -1.603 17.567 19.000 0.283 0.000 1.118 814 A HN 0.538 nan 8.150 nan 0.000 0.400 815 E N -1.469 118.683 120.200 -0.080 0.000 2.249 815 E HA 0.738 5.088 4.350 -0.000 0.000 0.263 815 E C 1.017 177.615 176.600 -0.004 0.000 0.950 815 E CA 0.211 56.589 56.400 -0.037 0.000 0.827 815 E CB 1.991 31.659 29.700 -0.054 0.000 1.220 815 E HN 0.980 nan 8.360 nan 0.000 0.411 816 G N -0.054 108.747 108.800 0.002 0.000 3.791 816 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.117 816 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.117 816 G C 0.508 175.414 174.900 0.010 0.000 1.177 816 G CA -0.095 45.013 45.100 0.013 0.000 1.242 816 G HN 0.452 nan 8.290 nan 0.000 0.502 817 Q N 0.778 120.585 119.800 0.010 0.000 2.452 817 Q HA -0.211 4.129 4.340 -0.000 0.000 0.218 817 Q C -0.104 175.901 176.000 0.009 0.000 0.999 817 Q CA 1.811 57.620 55.803 0.011 0.000 0.938 817 Q CB -0.506 28.238 28.738 0.009 0.000 0.925 817 Q HN 0.688 nan 8.270 nan 0.000 0.446 818 K N -1.875 118.530 120.400 0.007 0.000 2.246 818 K HA 0.252 4.571 4.320 -0.000 0.000 0.374 818 K C -1.590 175.013 176.600 0.005 0.000 1.520 818 K CA -0.259 56.033 56.287 0.008 0.000 1.192 818 K CB 0.115 32.620 32.500 0.008 0.000 1.412 818 K HN -0.089 nan 8.250 nan 0.000 0.470 819 Q N 1.243 121.046 119.800 0.005 0.000 2.378 819 Q HA 0.648 4.988 4.340 -0.000 0.000 0.262 819 Q C -0.938 175.063 176.000 0.001 0.000 0.978 819 Q CA -0.523 55.281 55.803 0.001 0.000 0.918 819 Q CB 2.575 31.312 28.738 -0.001 0.000 1.415 819 Q HN 1.048 nan 8.270 nan 0.000 0.409 820 G N 1.169 109.969 108.800 0.000 0.000 2.326 820 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.413 820 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.413 820 G C -1.223 173.676 174.900 -0.001 0.000 1.444 820 G CA -0.833 44.266 45.100 -0.002 0.000 1.002 820 G HN 0.442 nan 8.290 nan 0.000 0.649 821 Q N -0.229 119.568 119.800 -0.005 0.000 2.354 821 Q HA 0.495 4.835 4.340 -0.000 0.000 0.372 821 Q C -0.003 175.992 176.000 -0.009 0.000 0.923 821 Q CA -0.232 55.568 55.803 -0.005 0.000 1.123 821 Q CB 0.940 29.673 28.738 -0.007 0.000 1.298 821 Q HN 0.497 nan 8.270 nan 0.000 0.419 822 L N -1.429 119.791 121.223 -0.004 0.000 2.542 822 L HA 0.493 4.833 4.340 -0.000 0.000 0.239 822 L C -0.740 176.137 176.870 0.013 0.000 1.256 822 L CA -0.919 53.918 54.840 -0.005 0.000 1.282 822 L CB 0.997 43.051 42.059 -0.009 0.000 1.667 822 L HN 0.059 nan 8.230 nan 0.000 0.484 823 R N -0.407 120.107 120.500 0.024 0.000 2.756 823 R HA 0.292 4.632 4.340 -0.000 0.000 0.264 823 R C -0.523 175.792 176.300 0.025 0.000 1.026 823 R CA 1.236 57.364 56.100 0.046 0.000 1.121 823 R CB 0.362 30.691 30.300 0.048 0.000 0.999 823 R HN 0.656 nan 8.270 nan 0.000 0.449 824 S N 2.925 118.641 115.700 0.027 0.000 2.927 824 S HA 0.203 4.673 4.470 -0.000 0.000 0.246 824 S C -1.014 173.611 174.600 0.042 0.000 0.907 824 S CA -0.533 57.685 58.200 0.030 0.000 1.326 824 S CB 0.459 63.672 63.200 0.022 0.000 1.216 824 S HN 0.435 nan 8.310 nan 0.000 0.652 825 L N 2.683 123.925 121.223 0.032 0.000 2.349 825 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 825 L C -0.248 176.655 176.870 0.056 0.000 0.996 825 L CA -0.648 54.189 54.840 -0.005 0.000 0.825 825 L CB 1.131 43.127 42.059 -0.105 0.000 1.243 825 L HN 0.292 nan 8.230 nan 0.000 0.412 826 H N 5.602 124.661 119.070 -0.018 0.000 2.864 826 H HA 0.436 4.992 4.556 -0.000 0.000 0.281 826 H C -1.279 173.992 175.328 -0.095 0.000 1.093 826 H CA -0.356 55.717 56.048 0.042 0.000 1.453 826 H CB 0.868 30.729 29.762 0.165 0.000 1.462 826 H HN 0.467 nan 8.280 nan 0.000 0.480 827 L N 2.679 123.738 121.223 -0.273 0.000 2.388 827 L HA 0.510 4.849 4.340 -0.000 0.000 0.264 827 L C -0.532 176.196 176.870 -0.237 0.000 0.998 827 L CA -0.880 53.808 54.840 -0.253 0.000 0.817 827 L CB 1.938 43.816 42.059 -0.302 0.000 1.338 827 L HN 0.242 nan 8.230 nan 0.000 0.414 828 T N 1.081 115.540 114.554 -0.159 0.000 2.758 828 T HA 0.600 4.950 4.350 -0.000 0.000 0.285 828 T C -0.696 173.966 174.700 -0.064 0.000 0.981 828 T CA -0.186 61.859 62.100 -0.092 0.000 0.965 828 T CB 0.557 69.409 68.868 -0.027 0.000 0.927 828 T HN 0.742 nan 8.240 nan 0.000 0.448 829 c N 3.162 121.744 118.600 -0.030 0.000 2.417 829 c HA 0.692 5.262 4.570 -0.000 0.000 0.324 829 c C -0.451 173.661 174.090 0.036 0.000 1.240 829 c CA -1.005 55.306 56.329 -0.032 0.000 1.632 829 c CB 1.019 43.450 42.510 -0.132 0.000 2.241 829 c HN 0.766 nan 8.230 nan 0.000 0.499 830 D N 1.613 122.036 120.400 0.040 0.000 2.542 830 D HA 0.346 4.986 4.640 -0.000 0.000 0.252 830 D C -0.143 176.190 176.300 0.055 0.000 1.222 830 D CA 0.110 54.149 54.000 0.065 0.000 0.895 830 D CB 1.764 42.616 40.800 0.087 0.000 1.207 830 D HN 0.680 nan 8.370 nan 0.000 0.558 831 S N 0.850 116.571 115.700 0.034 0.000 2.600 831 S HA 0.821 5.291 4.470 -0.000 0.000 0.265 831 S C 0.030 174.641 174.600 0.019 0.000 1.325 831 S CA -0.562 57.612 58.200 -0.044 0.000 1.002 831 S CB 1.606 64.715 63.200 -0.151 0.000 0.921 831 S HN 0.619 nan 8.310 nan 0.000 0.554 832 A N 1.257 124.078 122.820 0.002 0.000 2.580 832 A HA 0.629 4.949 4.320 -0.000 0.000 0.301 832 A C -3.316 174.520 177.584 0.421 0.000 1.054 832 A CA -1.298 50.868 52.037 0.216 0.000 0.751 832 A CB 0.716 19.811 19.000 0.157 0.000 1.275 832 A HN 0.642 nan 8.150 nan 0.000 0.403 833 P HA 0.414 nan 4.420 nan 0.000 0.276 833 P C 0.089 177.568 177.300 0.298 0.000 1.235 833 P CA 0.092 63.517 63.100 0.541 0.000 0.772 833 P CB 1.494 33.371 31.700 0.294 0.000 0.871 834 V N 3.209 123.281 119.914 0.263 0.000 3.671 834 V HA 0.278 4.398 4.120 -0.000 0.000 0.202 834 V C 1.559 177.714 176.094 0.100 0.000 1.188 834 V CA 1.073 63.467 62.300 0.157 0.000 1.325 834 V CB -0.976 30.934 31.823 0.145 0.000 1.470 834 V HN 0.674 nan 8.190 nan 0.000 0.520 835 G N -0.337 108.518 108.800 0.091 0.000 2.750 835 G HA2 0.138 4.098 3.960 -0.000 0.000 0.250 835 G HA3 0.138 4.098 3.960 -0.000 0.000 0.250 835 G C 1.280 176.198 174.900 0.031 0.000 1.230 835 G CA 0.716 45.848 45.100 0.054 0.000 0.883 835 G HN 0.322 nan 8.290 nan 0.000 0.573 836 S N -0.974 114.738 115.700 0.019 0.000 2.365 836 S HA -0.156 4.314 4.470 -0.000 0.000 0.221 836 S C 1.200 175.799 174.600 -0.001 0.000 1.037 836 S CA 2.069 60.274 58.200 0.009 0.000 1.060 836 S CB -0.241 62.963 63.200 0.006 0.000 0.974 836 S HN 0.614 nan 8.310 nan 0.000 0.427 837 Q N -0.836 118.960 119.800 -0.007 0.000 3.021 837 Q HA 0.467 4.807 4.340 -0.000 0.000 0.234 837 Q C -0.166 175.814 176.000 -0.033 0.000 0.930 837 Q CA 0.199 55.988 55.803 -0.023 0.000 0.714 837 Q CB 0.757 29.485 28.738 -0.016 0.000 1.325 837 Q HN 0.635 nan 8.270 nan 0.000 0.473 838 G N 1.099 109.858 108.800 -0.069 0.000 3.826 838 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.194 838 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.194 838 G C 0.173 175.000 174.900 -0.121 0.000 2.087 838 G CA 0.017 45.061 45.100 -0.093 0.000 1.230 838 G HN 0.601 nan 8.290 nan 0.000 0.393 839 T N -0.244 114.310 114.554 0.000 0.000 2.766 839 T HA 0.573 4.923 4.350 -0.000 0.000 0.295 839 T C -0.048 174.787 174.700 0.224 0.000 1.024 839 T CA 0.868 63.038 62.100 0.117 0.000 1.018 839 T CB 1.400 70.335 68.868 0.110 0.000 1.002 839 T HN 1.887 nan 8.240 nan 0.000 0.532 840 W N -1.223 119.969 121.300 -0.180 0.000 3.173 840 W HA 0.601 5.261 4.660 -0.000 0.000 0.313 840 W C -1.602 174.749 176.519 -0.279 0.000 1.228 840 W CA -1.356 55.892 57.345 -0.162 0.000 1.185 840 W CB 0.536 29.949 29.460 -0.079 0.000 1.390 840 W HN 0.834 nan 8.180 nan 0.000 0.568 841 S N 1.085 116.769 115.700 -0.026 0.000 2.451 841 S HA 0.723 5.193 4.470 -0.000 0.000 0.301 841 S C -0.371 174.223 174.600 -0.009 0.000 1.116 841 S CA -0.021 58.163 58.200 -0.027 0.000 1.093 841 S CB 0.620 63.856 63.200 0.061 0.000 1.017 841 S HN 0.697 nan 8.310 nan 0.000 0.482 842 T N 2.072 116.721 114.554 0.158 0.000 2.947 842 T HA 0.502 4.852 4.350 -0.000 0.000 0.337 842 T C 0.208 175.021 174.700 0.188 0.000 1.139 842 T CA -0.778 61.430 62.100 0.181 0.000 0.992 842 T CB 0.236 69.274 68.868 0.283 0.000 1.043 842 T HN 0.606 nan 8.240 nan 0.000 0.498 843 S N 1.509 117.264 115.700 0.092 0.000 2.592 843 S HA 0.543 5.013 4.470 -0.000 0.000 0.271 843 S C -0.049 174.555 174.600 0.008 0.000 1.326 843 S CA -0.804 57.425 58.200 0.048 0.000 1.024 843 S CB 0.506 63.728 63.200 0.037 0.000 0.921 843 S HN 0.846 nan 8.310 nan 0.000 0.527 844 c N 2.848 121.427 118.600 -0.036 0.000 3.171 844 c HA 0.427 4.997 4.570 -0.000 0.000 0.336 844 c C 0.098 174.114 174.090 -0.124 0.000 1.035 844 c CA -0.894 55.374 56.329 -0.102 0.000 1.361 844 c CB -0.314 42.104 42.510 -0.154 0.000 1.804 844 c HN 1.044 nan 8.230 nan 0.000 0.535 845 R N 2.176 122.625 120.500 -0.086 0.000 2.267 845 R HA 0.543 4.883 4.340 -0.000 0.000 0.319 845 R C -0.417 175.807 176.300 -0.126 0.000 1.067 845 R CA -0.298 55.756 56.100 -0.076 0.000 0.936 845 R CB 0.621 30.915 30.300 -0.011 0.000 1.006 845 R HN 0.689 nan 8.270 nan 0.000 0.452 846 I N 4.471 124.934 120.570 -0.178 0.000 2.849 846 I HA -0.179 3.990 4.170 -0.000 0.000 0.288 846 I C 1.257 177.292 176.117 -0.137 0.000 1.156 846 I CA 0.111 61.274 61.300 -0.228 0.000 1.394 846 I CB -0.346 37.487 38.000 -0.277 0.000 1.462 846 I HN 0.789 nan 8.210 nan 0.000 0.587 847 N N 5.196 123.827 118.700 -0.115 0.000 2.002 847 N HA -0.243 4.497 4.740 -0.000 0.000 0.199 847 N C 1.039 176.571 175.510 0.037 0.000 1.067 847 N CA 1.954 55.008 53.050 0.007 0.000 0.870 847 N CB -0.087 38.494 38.487 0.157 0.000 1.073 847 N HN 0.720 nan 8.380 nan 0.000 0.432 848 H N -1.028 118.089 119.070 0.078 0.000 2.412 848 H HA 0.585 5.141 4.556 -0.000 0.000 0.239 848 H C -0.732 174.619 175.328 0.040 0.000 1.388 848 H CA -0.859 55.222 56.048 0.054 0.000 1.148 848 H CB -0.447 29.332 29.762 0.030 0.000 1.637 848 H HN 0.210 nan 8.280 nan 0.000 0.542 849 L N -2.766 118.476 121.223 0.033 0.000 3.207 849 L HA 0.463 4.803 4.340 -0.000 0.000 0.286 849 L C -1.532 175.347 176.870 0.015 0.000 0.968 849 L CA -1.292 53.580 54.840 0.052 0.000 1.023 849 L CB 0.711 42.800 42.059 0.051 0.000 1.564 849 L HN 0.067 nan 8.230 nan 0.000 0.384 850 I N 0.828 121.396 120.570 -0.004 0.000 2.664 850 I HA 0.458 4.628 4.170 -0.000 0.000 0.308 850 I C -1.056 175.086 176.117 0.041 0.000 0.984 850 I CA -0.245 61.009 61.300 -0.076 0.000 1.213 850 I CB 1.656 39.511 38.000 -0.242 0.000 1.379 850 I HN 0.615 nan 8.210 nan 0.000 0.501 851 F N 5.001 124.844 119.950 -0.177 0.000 2.434 851 F HA 0.484 5.011 4.527 -0.000 0.000 0.367 851 F C -0.020 175.712 175.800 -0.114 0.000 1.093 851 F CA -0.682 57.254 58.000 -0.108 0.000 1.085 851 F CB 0.372 39.333 39.000 -0.066 0.000 1.322 851 F HN 0.429 nan 8.300 nan 0.000 0.452 852 R N 2.983 123.383 120.500 -0.168 0.000 2.782 852 R HA 0.659 4.998 4.340 -0.000 0.000 0.258 852 R C 0.577 176.718 176.300 -0.266 0.000 1.055 852 R CA -0.158 55.806 56.100 -0.227 0.000 1.065 852 R CB 1.387 31.609 30.300 -0.131 0.000 1.172 852 R HN 0.825 nan 8.270 nan 0.000 0.510 853 G N 0.258 108.945 108.800 -0.188 0.000 2.586 853 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.308 853 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.308 853 G C 0.544 175.343 174.900 -0.169 0.000 1.317 853 G CA -0.016 45.002 45.100 -0.137 0.000 0.922 853 G HN 0.785 nan 8.290 nan 0.000 0.551 854 G N 0.015 108.762 108.800 -0.089 0.000 3.374 854 G HA2 0.609 4.569 3.960 -0.000 0.000 0.252 854 G HA3 0.609 4.569 3.960 -0.000 0.000 0.252 854 G C 0.601 175.495 174.900 -0.011 0.000 1.326 854 G CA 1.312 46.383 45.100 -0.048 0.000 1.133 854 G HN 1.692 nan 8.290 nan 0.000 0.528 855 A N 0.499 123.279 122.820 -0.066 0.000 2.363 855 A HA 0.607 4.927 4.320 -0.000 0.000 0.270 855 A C 0.379 178.067 177.584 0.174 0.000 1.121 855 A CA -0.555 51.507 52.037 0.042 0.000 0.800 855 A CB 0.458 19.492 19.000 0.056 0.000 1.052 855 A HN 0.576 nan 8.150 nan 0.000 0.493 856 Q N 1.292 121.223 119.800 0.217 0.000 2.248 856 Q HA 0.808 5.148 4.340 -0.000 0.000 0.263 856 Q C -0.721 175.379 176.000 0.167 0.000 1.007 856 Q CA -0.728 55.208 55.803 0.221 0.000 0.877 856 Q CB 1.651 30.418 28.738 0.049 0.000 1.315 856 Q HN 0.850 nan 8.270 nan 0.000 0.454 857 I N -1.902 118.689 120.570 0.035 0.000 2.752 857 I HA 0.620 4.789 4.170 -0.000 0.000 0.295 857 I C -1.212 174.848 176.117 -0.094 0.000 1.219 857 I CA -0.823 60.447 61.300 -0.050 0.000 1.030 857 I CB 2.731 40.647 38.000 -0.141 0.000 1.259 857 I HN 0.778 nan 8.210 nan 0.000 0.423 858 T N 2.196 116.716 114.554 -0.055 0.000 2.824 858 T HA 0.796 5.146 4.350 -0.000 0.000 0.282 858 T C -0.719 173.992 174.700 0.019 0.000 0.993 858 T CA -0.545 61.498 62.100 -0.096 0.000 0.967 858 T CB 1.434 70.224 68.868 -0.130 0.000 0.960 858 T HN 0.707 nan 8.240 nan 0.000 0.441 859 F N 0.995 120.879 119.950 -0.110 0.000 2.640 859 F HA 0.840 5.367 4.527 -0.000 0.000 0.324 859 F C -1.689 174.075 175.800 -0.060 0.000 1.077 859 F CA -1.976 55.972 58.000 -0.086 0.000 0.965 859 F CB 1.497 40.439 39.000 -0.097 0.000 1.351 859 F HN 0.670 nan 8.300 nan 0.000 0.487 860 L N 2.227 123.508 121.223 0.096 0.000 2.313 860 L HA 0.877 5.217 4.340 -0.000 0.000 0.283 860 L C -1.044 175.908 176.870 0.138 0.000 1.013 860 L CA -0.763 54.077 54.840 -0.001 0.000 0.816 860 L CB 1.413 43.467 42.059 -0.008 0.000 1.236 860 L HN 1.034 nan 8.230 nan 0.000 0.419 861 A N 3.291 126.162 122.820 0.086 0.000 2.335 861 A HA 0.718 5.038 4.320 -0.000 0.000 0.304 861 A C -0.614 177.062 177.584 0.153 0.000 1.118 861 A CA -0.398 51.764 52.037 0.209 0.000 0.757 861 A CB 1.472 20.555 19.000 0.139 0.000 1.188 861 A HN 0.603 nan 8.150 nan 0.000 0.460 862 T N 2.246 116.852 114.554 0.087 0.000 2.823 862 T HA 0.624 4.974 4.350 -0.000 0.000 0.279 862 T C -1.130 173.469 174.700 -0.168 0.000 0.998 862 T CA 0.149 62.258 62.100 0.014 0.000 0.994 862 T CB 0.245 69.071 68.868 -0.071 0.000 0.960 862 T HN 0.330 nan 8.240 nan 0.000 0.448 863 F N 2.242 122.142 119.950 -0.084 0.000 2.427 863 F HA 0.332 4.859 4.527 -0.000 0.000 0.348 863 F C 0.526 176.262 175.800 -0.107 0.000 1.125 863 F CA -1.338 56.589 58.000 -0.121 0.000 0.989 863 F CB 0.997 39.891 39.000 -0.177 0.000 1.165 863 F HN 0.384 nan 8.300 nan 0.000 0.442 864 D N 2.237 122.641 120.400 0.008 0.000 2.424 864 D HA 0.179 4.819 4.640 -0.000 0.000 0.244 864 D C -0.494 175.839 176.300 0.054 0.000 1.134 864 D CA 0.389 54.394 54.000 0.009 0.000 0.881 864 D CB 1.868 42.654 40.800 -0.022 0.000 1.191 864 D HN 0.268 nan 8.370 nan 0.000 0.445 865 V N 1.981 121.919 119.914 0.041 0.000 2.604 865 V HA 0.329 4.449 4.120 -0.000 0.000 0.305 865 V C -0.084 176.042 176.094 0.053 0.000 1.043 865 V CA -0.628 61.703 62.300 0.052 0.000 0.888 865 V CB 1.896 33.729 31.823 0.016 0.000 0.995 865 V HN 0.685 nan 8.190 nan 0.000 0.429 866 S N 6.505 122.253 115.700 0.080 0.000 2.576 866 S HA 0.395 4.864 4.470 -0.000 0.000 0.276 866 S C -1.782 172.864 174.600 0.077 0.000 1.339 866 S CA -0.665 57.583 58.200 0.080 0.000 1.039 866 S CB 1.194 64.454 63.200 0.100 0.000 0.902 866 S HN 0.669 nan 8.310 nan 0.000 0.516 867 P HA 0.013 nan 4.420 nan 0.000 0.220 867 P C 0.308 177.676 177.300 0.112 0.000 1.148 867 P CA 1.098 64.246 63.100 0.080 0.000 0.803 867 P CB 0.083 31.823 31.700 0.067 0.000 0.782 868 K N -0.007 120.459 120.400 0.110 0.000 3.045 868 K HA 0.450 4.769 4.320 -0.000 0.000 0.214 868 K C -0.628 176.050 176.600 0.130 0.000 1.213 868 K CA -0.563 55.797 56.287 0.122 0.000 1.111 868 K CB -0.269 32.288 32.500 0.096 0.000 1.454 868 K HN -0.133 nan 8.250 nan 0.000 0.498 869 A N 2.021 124.937 122.820 0.161 0.000 2.437 869 A HA 0.236 4.556 4.320 -0.000 0.000 0.303 869 A C -0.110 177.589 177.584 0.191 0.000 1.324 869 A CA -0.503 51.629 52.037 0.158 0.000 0.983 869 A CB 0.246 19.326 19.000 0.132 0.000 1.142 869 A HN 0.283 nan 8.150 nan 0.000 0.541 870 V N 4.696 124.691 119.914 0.135 0.000 2.421 870 V HA 0.349 4.469 4.120 -0.000 0.000 0.271 870 V C -0.069 176.098 176.094 0.121 0.000 1.031 870 V CA 0.486 62.853 62.300 0.111 0.000 1.032 870 V CB -0.719 31.141 31.823 0.062 0.000 1.009 870 V HN 0.844 nan 8.190 nan 0.000 0.477 871 L N 3.585 124.901 121.223 0.154 0.000 2.672 871 L HA 0.875 5.215 4.340 -0.000 0.000 0.256 871 L C 0.137 177.099 176.870 0.152 0.000 0.946 871 L CA -0.438 54.483 54.840 0.136 0.000 0.889 871 L CB 0.884 43.020 42.059 0.129 0.000 1.441 871 L HN 0.517 nan 8.230 nan 0.000 0.418 872 G N 0.368 109.228 108.800 0.101 0.000 2.794 872 G HA2 0.213 4.173 3.960 -0.000 0.000 0.249 872 G HA3 0.213 4.173 3.960 -0.000 0.000 0.249 872 G C 0.456 175.423 174.900 0.113 0.000 1.236 872 G CA 0.427 45.579 45.100 0.086 0.000 0.880 872 G HN 1.093 nan 8.290 nan 0.000 0.586 873 D N -1.291 119.161 120.400 0.086 0.000 2.403 873 D HA -0.074 4.566 4.640 -0.000 0.000 0.227 873 D C 0.846 177.172 176.300 0.044 0.000 0.995 873 D CA 0.804 54.855 54.000 0.085 0.000 0.928 873 D CB 0.087 40.913 40.800 0.044 0.000 0.887 873 D HN 0.390 nan 8.370 nan 0.000 0.529 874 R N -0.357 120.166 120.500 0.038 0.000 2.698 874 R HA 0.579 4.919 4.340 -0.000 0.000 0.275 874 R C -1.177 175.139 176.300 0.027 0.000 1.001 874 R CA -1.102 55.009 56.100 0.019 0.000 0.896 874 R CB 1.996 32.307 30.300 0.018 0.000 1.218 874 R HN 0.059 nan 8.270 nan 0.000 0.462 875 L N 0.777 122.009 121.223 0.014 0.000 2.376 875 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 875 L C -0.894 176.002 176.870 0.042 0.000 0.987 875 L CA -0.905 53.952 54.840 0.029 0.000 0.828 875 L CB 1.402 43.467 42.059 0.010 0.000 1.249 875 L HN 0.522 nan 8.230 nan 0.000 0.409 876 L N 2.944 124.206 121.223 0.064 0.000 2.358 876 L HA 1.002 5.342 4.340 -0.000 0.000 0.268 876 L C -0.754 176.188 176.870 0.120 0.000 1.032 876 L CA -0.841 54.050 54.840 0.085 0.000 0.805 876 L CB 1.615 43.712 42.059 0.063 0.000 1.253 876 L HN 0.798 nan 8.230 nan 0.000 0.452 877 L N -1.569 119.756 121.223 0.170 0.000 2.591 877 L HA 0.931 5.271 4.340 -0.000 0.000 0.257 877 L C -0.260 176.804 176.870 0.323 0.000 0.935 877 L CA -0.147 54.819 54.840 0.210 0.000 0.873 877 L CB 1.421 43.567 42.059 0.146 0.000 1.397 877 L HN 0.999 nan 8.230 nan 0.000 0.414 878 T N -0.989 113.755 114.554 0.316 0.000 2.807 878 T HA 0.983 5.333 4.350 -0.000 0.000 0.277 878 T C -0.373 174.585 174.700 0.430 0.000 1.006 878 T CA -0.392 61.920 62.100 0.352 0.000 1.006 878 T CB 1.890 70.874 68.868 0.193 0.000 1.274 878 T HN 1.805 nan 8.240 nan 0.000 0.569 879 A N 1.830 124.858 122.820 0.347 0.000 2.684 879 A HA 0.579 4.898 4.320 -0.000 0.000 0.289 879 A C -0.871 176.754 177.584 0.067 0.000 1.139 879 A CA -0.905 51.197 52.037 0.108 0.000 0.793 879 A CB 0.102 19.245 19.000 0.238 0.000 1.334 879 A HN 0.680 nan 8.150 nan 0.000 0.408 880 N N 0.600 119.300 118.700 -0.000 0.000 2.497 880 N HA 0.361 5.101 4.740 -0.000 0.000 0.268 880 N C -0.560 174.945 175.510 -0.009 0.000 1.171 880 N CA 0.074 53.137 53.050 0.022 0.000 0.948 880 N CB 1.820 40.320 38.487 0.022 0.000 1.069 880 N HN 0.483 nan 8.380 nan 0.000 0.460 881 V N 1.338 121.277 119.914 0.042 0.000 2.588 881 V HA 0.798 4.917 4.120 -0.000 0.000 0.304 881 V C -0.627 175.512 176.094 0.076 0.000 1.042 881 V CA -0.242 62.088 62.300 0.050 0.000 0.877 881 V CB 1.317 33.191 31.823 0.085 0.000 0.996 881 V HN 0.928 nan 8.190 nan 0.000 0.425 882 S N 3.857 119.601 115.700 0.074 0.000 2.643 882 S HA 0.714 5.184 4.470 -0.000 0.000 0.270 882 S C -0.373 174.286 174.600 0.098 0.000 1.166 882 S CA -0.091 58.159 58.200 0.084 0.000 0.815 882 S CB 1.588 64.828 63.200 0.066 0.000 1.139 882 S HN 1.632 nan 8.310 nan 0.000 0.472 883 S N -0.220 115.541 115.700 0.103 0.000 2.681 883 S HA 0.406 4.876 4.470 -0.000 0.000 0.270 883 S C 0.957 175.624 174.600 0.113 0.000 1.209 883 S CA -0.052 58.221 58.200 0.122 0.000 0.988 883 S CB 0.664 63.940 63.200 0.126 0.000 1.006 883 S HN 0.960 nan 8.310 nan 0.000 0.558 884 E N 0.660 120.942 120.200 0.137 0.000 2.160 884 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 884 E C 0.315 176.980 176.600 0.108 0.000 0.991 884 E CA 1.078 57.555 56.400 0.128 0.000 0.810 884 E CB -0.305 29.492 29.700 0.161 0.000 0.742 884 E HN 0.606 nan 8.360 nan 0.000 0.466 885 N N 2.029 120.792 118.700 0.105 0.000 2.482 885 N HA -0.004 4.735 4.740 -0.000 0.000 0.220 885 N C -0.580 174.968 175.510 0.063 0.000 1.255 885 N CA 0.151 53.248 53.050 0.078 0.000 0.850 885 N CB -0.416 38.113 38.487 0.071 0.000 1.127 885 N HN 0.194 nan 8.380 nan 0.000 0.475 886 N N -0.658 118.083 118.700 0.068 0.000 5.925 886 N HA -0.190 4.550 4.740 -0.000 0.000 0.361 886 N C -0.331 175.211 175.510 0.052 0.000 0.922 886 N CA 1.341 54.426 53.050 0.059 0.000 1.177 886 N CB -0.853 37.665 38.487 0.052 0.000 0.806 886 N HN 0.347 nan 8.380 nan 0.000 0.456 887 T N -2.265 112.316 114.554 0.044 0.000 3.149 887 T HA 0.569 4.919 4.350 -0.000 0.000 0.373 887 T C -1.899 172.818 174.700 0.029 0.000 1.364 887 T CA -1.299 60.824 62.100 0.039 0.000 1.110 887 T CB 1.306 70.197 68.868 0.039 0.000 1.127 887 T HN 0.209 nan 8.240 nan 0.000 0.576 888 P HA 0.086 nan 4.420 nan 0.000 0.228 888 P C 0.660 177.966 177.300 0.011 0.000 1.151 888 P CA 0.588 63.697 63.100 0.015 0.000 0.770 888 P CB 0.364 32.069 31.700 0.009 0.000 0.786 889 R N -2.771 117.737 120.500 0.013 0.000 3.404 889 R HA 0.415 4.755 4.340 -0.000 0.000 0.243 889 R C 0.991 177.299 176.300 0.012 0.000 1.474 889 R CA -0.500 55.606 56.100 0.009 0.000 1.018 889 R CB -0.217 30.085 30.300 0.004 0.000 1.568 889 R HN -0.320 nan 8.270 nan 0.000 0.498 890 T N 0.322 114.882 114.554 0.010 0.000 3.139 890 T HA -0.021 4.328 4.350 -0.000 0.000 0.226 890 T C 0.692 175.401 174.700 0.015 0.000 1.010 890 T CA 0.445 62.552 62.100 0.010 0.000 1.487 890 T CB -0.325 68.546 68.868 0.006 0.000 1.204 890 T HN 0.328 nan 8.240 nan 0.000 0.437 891 S N 2.839 118.547 115.700 0.014 0.000 2.430 891 S HA 0.174 4.644 4.470 -0.000 0.000 0.282 891 S C -0.059 174.557 174.600 0.027 0.000 1.186 891 S CA -0.695 57.516 58.200 0.018 0.000 1.060 891 S CB -0.222 62.986 63.200 0.013 0.000 0.966 891 S HN 0.110 nan 8.310 nan 0.000 0.501 892 K N 3.022 123.442 120.400 0.033 0.000 2.380 892 K HA 0.050 4.370 4.320 -0.000 0.000 0.267 892 K C 0.639 177.272 176.600 0.055 0.000 0.990 892 K CA 0.056 56.370 56.287 0.044 0.000 0.946 892 K CB 0.323 32.851 32.500 0.046 0.000 0.937 892 K HN 0.577 nan 8.250 nan 0.000 0.491 893 T N 1.373 115.969 114.554 0.072 0.000 3.383 893 T HA 0.124 4.473 4.350 -0.000 0.000 0.324 893 T C -0.295 174.482 174.700 0.128 0.000 1.822 893 T CA -0.589 61.569 62.100 0.096 0.000 1.424 893 T CB -0.615 68.315 68.868 0.103 0.000 1.093 893 T HN 0.593 nan 8.240 nan 0.000 0.748 894 T N 1.019 115.646 114.554 0.121 0.000 2.922 894 T HA 0.657 5.007 4.350 -0.000 0.000 0.285 894 T C -0.619 174.207 174.700 0.210 0.000 1.005 894 T CA -0.810 61.379 62.100 0.148 0.000 1.061 894 T CB 1.112 70.042 68.868 0.103 0.000 1.007 894 T HN 0.371 nan 8.240 nan 0.000 0.502 895 F N 2.959 122.956 119.950 0.079 0.000 2.536 895 F HA 0.488 5.015 4.527 -0.000 0.000 0.322 895 F C -0.503 175.323 175.800 0.044 0.000 1.144 895 F CA -0.670 57.342 58.000 0.020 0.000 0.924 895 F CB 1.734 40.709 39.000 -0.040 0.000 1.181 895 F HN 0.943 nan 8.300 nan 0.000 0.438 896 Q N 5.709 125.088 119.800 -0.702 0.000 2.458 896 Q HA 0.855 5.195 4.340 -0.000 0.000 0.282 896 Q C -2.045 173.587 176.000 -0.613 0.000 1.106 896 Q CA -1.285 54.282 55.803 -0.394 0.000 0.814 896 Q CB 3.166 31.828 28.738 -0.126 0.000 1.425 896 Q HN 0.797 nan 8.270 nan 0.000 0.437 897 L N -2.878 118.227 121.223 -0.198 0.000 2.612 897 L HA 0.644 4.984 4.340 -0.000 0.000 0.256 897 L C -1.402 175.496 176.870 0.047 0.000 0.949 897 L CA -0.735 54.036 54.840 -0.115 0.000 0.867 897 L CB 2.253 44.254 42.059 -0.097 0.000 1.417 897 L HN 0.853 nan 8.230 nan 0.000 0.414 898 E N 1.773 121.989 120.200 0.028 0.000 2.199 898 E HA 0.787 5.137 4.350 -0.000 0.000 0.269 898 E C -1.638 174.987 176.600 0.042 0.000 0.899 898 E CA -0.738 55.686 56.400 0.040 0.000 0.772 898 E CB 1.813 31.523 29.700 0.016 0.000 1.155 898 E HN 0.747 nan 8.360 nan 0.000 0.408 899 L N 4.863 126.104 121.223 0.030 0.000 2.354 899 L HA 0.513 4.853 4.340 -0.000 0.000 0.269 899 L C -2.332 174.526 176.870 -0.019 0.000 1.005 899 L CA -2.435 52.407 54.840 0.003 0.000 0.819 899 L CB 2.023 44.061 42.059 -0.035 0.000 1.311 899 L HN 0.432 nan 8.230 nan 0.000 0.423 900 P HA 0.091 nan 4.420 nan 0.000 0.271 900 P C -0.872 176.385 177.300 -0.071 0.000 1.226 900 P CA -0.024 63.057 63.100 -0.033 0.000 0.765 900 P CB 1.178 32.864 31.700 -0.023 0.000 0.835 901 V N 4.783 124.645 119.914 -0.087 0.000 2.547 901 V HA 0.418 4.537 4.120 -0.000 0.000 0.299 901 V C -0.118 175.838 176.094 -0.230 0.000 1.040 901 V CA -0.435 61.752 62.300 -0.189 0.000 0.913 901 V CB 1.285 32.973 31.823 -0.225 0.000 0.992 901 V HN 0.451 nan 8.190 nan 0.000 0.449 902 K N 4.413 124.611 120.400 -0.336 0.000 2.279 902 K HA 0.653 4.973 4.320 -0.000 0.000 0.238 902 K C -1.935 174.324 176.600 -0.568 0.000 1.084 902 K CA -0.744 55.389 56.287 -0.258 0.000 0.885 902 K CB 2.163 34.627 32.500 -0.060 0.000 1.319 902 K HN 0.588 nan 8.250 nan 0.000 0.494 903 Y N -0.464 119.864 120.300 0.047 0.000 2.504 903 Y HA 0.392 4.942 4.550 -0.000 0.000 0.344 903 Y C -0.472 175.526 175.900 0.164 0.000 1.023 903 Y CA -1.148 57.016 58.100 0.106 0.000 1.020 903 Y CB 2.050 40.591 38.460 0.135 0.000 1.282 903 Y HN 0.668 nan 8.280 nan 0.000 0.454 904 A N 2.054 125.027 122.820 0.255 0.000 2.425 904 A HA 0.687 5.006 4.320 -0.000 0.000 0.249 904 A C -0.778 176.915 177.584 0.182 0.000 1.084 904 A CA -0.172 51.976 52.037 0.185 0.000 0.781 904 A CB 0.218 19.296 19.000 0.130 0.000 1.019 904 A HN 0.530 nan 8.150 nan 0.000 0.490 905 V N 1.603 121.595 119.914 0.131 0.000 2.932 905 V HA 0.278 4.398 4.120 -0.000 0.000 0.307 905 V C -1.395 174.754 176.094 0.093 0.000 1.147 905 V CA -0.437 61.893 62.300 0.050 0.000 0.951 905 V CB 1.940 33.681 31.823 -0.136 0.000 1.031 905 V HN 0.843 nan 8.190 nan 0.000 0.426 906 Y N 2.072 122.351 120.300 -0.036 0.000 2.342 906 Y HA 0.652 5.202 4.550 -0.000 0.000 0.338 906 Y C 0.088 175.993 175.900 0.008 0.000 0.965 906 Y CA -0.032 58.065 58.100 -0.006 0.000 1.159 906 Y CB 1.651 40.117 38.460 0.011 0.000 1.157 906 Y HN 0.685 nan 8.280 nan 0.000 0.486 907 T N 5.807 120.225 114.554 -0.227 0.000 2.906 907 T HA 0.528 4.878 4.350 -0.000 0.000 0.302 907 T C -1.100 173.537 174.700 -0.106 0.000 1.002 907 T CA -0.579 61.465 62.100 -0.093 0.000 0.988 907 T CB 0.899 69.698 68.868 -0.115 0.000 0.972 907 T HN 0.325 nan 8.240 nan 0.000 0.447 908 V N 2.936 122.842 119.914 -0.014 0.000 3.001 908 V HA 0.865 4.984 4.120 -0.000 0.000 0.314 908 V C -0.736 175.390 176.094 0.055 0.000 1.099 908 V CA -0.833 61.497 62.300 0.050 0.000 0.989 908 V CB 2.387 34.287 31.823 0.129 0.000 1.040 908 V HN 0.648 nan 8.190 nan 0.000 0.434 909 V N 2.064 122.003 119.914 0.041 0.000 2.777 909 V HA 0.772 4.892 4.120 -0.000 0.000 0.306 909 V C -0.643 175.474 176.094 0.037 0.000 1.112 909 V CA 0.132 62.446 62.300 0.024 0.000 0.917 909 V CB 2.361 34.175 31.823 -0.014 0.000 1.018 909 V HN 1.003 nan 8.190 nan 0.000 0.426 910 S N 3.645 119.387 115.700 0.070 0.000 2.677 910 S HA 0.672 5.142 4.470 -0.000 0.000 0.304 910 S C -0.506 174.198 174.600 0.173 0.000 1.108 910 S CA -0.091 58.153 58.200 0.072 0.000 0.944 910 S CB 2.008 65.218 63.200 0.017 0.000 1.127 910 S HN 1.194 nan 8.310 nan 0.000 0.511 911 S N 1.875 117.633 115.700 0.096 0.000 2.466 911 S HA 0.269 4.739 4.470 -0.000 0.000 0.313 911 S C -0.165 174.433 174.600 -0.003 0.000 1.078 911 S CA -0.502 57.676 58.200 -0.037 0.000 1.115 911 S CB -0.636 62.489 63.200 -0.125 0.000 1.006 911 S HN 0.795 nan 8.310 nan 0.000 0.487 912 H N 3.073 122.090 119.070 -0.088 0.000 3.092 912 H HA -0.025 4.531 4.556 -0.000 0.000 0.332 912 H C 1.353 176.677 175.328 -0.006 0.000 1.029 912 H CA 0.836 56.862 56.048 -0.036 0.000 1.376 912 H CB 0.709 30.456 29.762 -0.024 0.000 1.329 912 H HN 0.823 nan 8.280 nan 0.000 0.598 913 E N 3.223 123.349 120.200 -0.124 0.000 2.485 913 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 913 E C 0.014 176.516 176.600 -0.164 0.000 1.098 913 E CA 0.171 56.525 56.400 -0.076 0.000 0.878 913 E CB 0.076 29.757 29.700 -0.032 0.000 0.939 913 E HN 0.639 nan 8.360 nan 0.000 0.503 914 Q N 1.242 120.831 119.800 -0.352 0.000 2.938 914 Q HA 0.154 4.494 4.340 -0.000 0.000 0.343 914 Q C -1.108 174.846 176.000 -0.076 0.000 1.185 914 Q CA -0.318 55.348 55.803 -0.229 0.000 0.939 914 Q CB -0.336 28.240 28.738 -0.270 0.000 1.480 914 Q HN 0.342 nan 8.270 nan 0.000 0.442 915 F N -1.284 118.553 119.950 -0.189 0.000 2.482 915 F HA 0.387 4.914 4.527 -0.000 0.000 0.331 915 F C -0.285 175.415 175.800 -0.168 0.000 1.115 915 F CA -0.811 57.063 58.000 -0.211 0.000 0.955 915 F CB 1.517 40.394 39.000 -0.205 0.000 1.136 915 F HN -0.224 nan 8.300 nan 0.000 0.452 916 T N 5.458 119.683 114.554 -0.548 0.000 3.176 916 T HA 0.138 4.488 4.350 -0.000 0.000 0.301 916 T C -0.160 174.215 174.700 -0.543 0.000 1.115 916 T CA -0.280 61.551 62.100 -0.448 0.000 1.027 916 T CB -0.492 68.287 68.868 -0.148 0.000 1.063 916 T HN 0.577 nan 8.240 nan 0.000 0.669 917 K N 3.040 122.951 120.400 -0.815 0.000 2.300 917 K HA 0.250 4.570 4.320 -0.000 0.000 0.264 917 K C 0.029 176.489 176.600 -0.234 0.000 1.083 917 K CA -0.696 55.294 56.287 -0.496 0.000 0.958 917 K CB 0.235 32.411 32.500 -0.540 0.000 1.318 917 K HN 0.714 nan 8.250 nan 0.000 0.448 918 Y N 3.600 123.779 120.300 -0.202 0.000 2.527 918 Y HA 0.212 4.762 4.550 -0.000 0.000 0.247 918 Y C -0.058 175.738 175.900 -0.173 0.000 1.138 918 Y CA -1.138 56.866 58.100 -0.160 0.000 1.228 918 Y CB -0.449 37.949 38.460 -0.104 0.000 1.252 918 Y HN 0.305 nan 8.280 nan 0.000 0.531 919 L N 2.510 123.347 121.223 -0.643 0.000 2.640 919 L HA 0.120 4.460 4.340 -0.000 0.000 0.300 919 L C -0.273 176.405 176.870 -0.319 0.000 1.259 919 L CA 0.049 54.567 54.840 -0.536 0.000 0.879 919 L CB -0.045 41.756 42.059 -0.430 0.000 1.125 919 L HN 0.616 nan 8.230 nan 0.000 0.507 920 N N 1.239 119.770 118.700 -0.282 0.000 3.265 920 N HA 0.162 4.902 4.740 -0.000 0.000 0.235 920 N C -0.142 175.233 175.510 -0.224 0.000 1.343 920 N CA -0.718 52.142 53.050 -0.316 0.000 0.904 920 N CB 0.014 38.437 38.487 -0.107 0.000 1.492 920 N HN 0.424 nan 8.380 nan 0.000 0.504 921 F N 0.717 120.677 119.950 0.018 0.000 2.451 921 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 921 F C 1.712 177.521 175.800 0.015 0.000 1.101 921 F CA 0.847 58.872 58.000 0.042 0.000 1.436 921 F CB -0.209 38.824 39.000 0.053 0.000 1.074 921 F HN 0.545 nan 8.300 nan 0.000 0.553 922 S N 0.699 116.479 115.700 0.135 0.000 3.455 922 S HA 0.151 4.621 4.470 -0.000 0.000 0.288 922 S C -0.037 174.543 174.600 -0.033 0.000 1.231 922 S CA -0.427 57.801 58.200 0.046 0.000 1.031 922 S CB -0.096 63.114 63.200 0.016 0.000 1.570 922 S HN 0.327 nan 8.310 nan 0.000 0.519 923 E N 2.386 122.569 120.200 -0.027 0.000 3.037 923 E HA 0.303 4.653 4.350 -0.000 0.000 0.220 923 E C 0.759 177.307 176.600 -0.085 0.000 1.142 923 E CA -0.243 56.107 56.400 -0.084 0.000 0.888 923 E CB 0.323 30.003 29.700 -0.034 0.000 1.329 923 E HN 0.621 nan 8.360 nan 0.000 0.409 924 S N 1.918 117.559 115.700 -0.097 0.000 2.404 924 S HA 0.152 4.622 4.470 -0.000 0.000 0.223 924 S C 0.607 175.160 174.600 -0.079 0.000 1.040 924 S CA 0.138 58.291 58.200 -0.079 0.000 0.957 924 S CB 0.117 63.277 63.200 -0.067 0.000 0.826 924 S HN 0.282 nan 8.310 nan 0.000 0.491 925 E N 0.692 120.832 120.200 -0.100 0.000 2.412 925 E HA 0.527 4.877 4.350 -0.000 0.000 0.255 925 E C -1.228 175.319 176.600 -0.089 0.000 0.933 925 E CA -0.707 55.646 56.400 -0.078 0.000 0.823 925 E CB 0.884 30.545 29.700 -0.064 0.000 1.352 925 E HN 0.279 nan 8.360 nan 0.000 0.406 926 E N 1.003 121.182 120.200 -0.035 0.000 2.167 926 E HA 0.218 4.568 4.350 -0.000 0.000 0.247 926 E C -0.634 175.993 176.600 0.046 0.000 0.961 926 E CA -0.187 56.226 56.400 0.023 0.000 0.797 926 E CB 0.765 30.499 29.700 0.057 0.000 1.182 926 E HN 0.197 nan 8.360 nan 0.000 0.437 927 K N 1.191 121.593 120.400 0.002 0.000 2.842 927 K HA 0.194 4.514 4.320 -0.000 0.000 0.310 927 K C 1.115 177.872 176.600 0.262 0.000 0.992 927 K CA -0.259 56.060 56.287 0.053 0.000 1.207 927 K CB 0.568 33.018 32.500 -0.085 0.000 1.478 927 K HN 0.351 nan 8.250 nan 0.000 0.601 928 E N -0.863 119.507 120.200 0.283 0.000 3.441 928 E HA 0.057 4.407 4.350 -0.000 0.000 0.195 928 E C 0.046 176.852 176.600 0.342 0.000 1.172 928 E CA -0.334 56.250 56.400 0.307 0.000 1.457 928 E CB 0.437 30.245 29.700 0.180 0.000 1.388 928 E HN 0.155 nan 8.360 nan 0.000 0.551 929 S N 0.551 116.410 115.700 0.265 0.000 2.567 929 S HA 0.163 4.633 4.470 -0.000 0.000 0.262 929 S C -0.842 173.879 174.600 0.201 0.000 1.237 929 S CA -0.627 57.688 58.200 0.193 0.000 1.093 929 S CB 0.084 63.349 63.200 0.107 0.000 1.095 929 S HN 0.435 nan 8.310 nan 0.000 0.489 930 H N 4.539 123.675 119.070 0.111 0.000 2.534 930 H HA 0.202 4.757 4.556 -0.000 0.000 0.250 930 H C 0.298 175.553 175.328 -0.122 0.000 1.256 930 H CA -0.276 55.739 56.048 -0.054 0.000 1.000 930 H CB 0.388 30.055 29.762 -0.158 0.000 1.801 930 H HN 0.518 nan 8.280 nan 0.000 0.569 931 V N 1.862 121.758 119.914 -0.030 0.000 2.964 931 V HA -0.090 4.030 4.120 -0.000 0.000 0.286 931 V C 0.152 176.249 176.094 0.006 0.000 1.363 931 V CA 0.927 63.258 62.300 0.053 0.000 1.411 931 V CB -0.478 31.367 31.823 0.036 0.000 0.835 931 V HN 0.627 nan 8.190 nan 0.000 0.487 932 A N 7.797 130.716 122.820 0.166 0.000 2.264 932 A HA 0.819 5.139 4.320 -0.000 0.000 0.304 932 A C -0.107 177.584 177.584 0.177 0.000 1.100 932 A CA -0.675 51.420 52.037 0.097 0.000 0.839 932 A CB 1.021 20.034 19.000 0.022 0.000 1.121 932 A HN 1.085 nan 8.150 nan 0.000 0.496 933 M N 2.014 121.623 119.600 0.016 0.000 2.090 933 M HA 0.258 4.738 4.480 -0.000 0.000 0.277 933 M C -1.409 174.860 176.300 -0.051 0.000 0.935 933 M CA -0.083 55.243 55.300 0.042 0.000 0.966 933 M CB 1.108 33.705 32.600 -0.005 0.000 1.635 933 M HN 0.800 nan 8.290 nan 0.000 0.446 934 H N 3.723 122.863 119.070 0.116 0.000 2.724 934 H HA 0.289 4.844 4.556 -0.000 0.000 0.278 934 H C -0.573 174.702 175.328 -0.088 0.000 1.159 934 H CA -0.319 55.734 56.048 0.009 0.000 1.254 934 H CB 0.853 30.649 29.762 0.056 0.000 1.412 934 H HN 0.535 nan 8.280 nan 0.000 0.488 935 R N 3.587 124.068 120.500 -0.030 0.000 2.254 935 R HA 0.212 4.552 4.340 -0.000 0.000 0.318 935 R C -1.268 174.975 176.300 -0.095 0.000 1.031 935 R CA -0.431 55.684 56.100 0.025 0.000 0.905 935 R CB 0.511 30.885 30.300 0.124 0.000 1.050 935 R HN 0.452 nan 8.270 nan 0.000 0.456 936 Y N 2.598 122.970 120.300 0.121 0.000 2.341 936 Y HA 0.245 4.795 4.550 -0.000 0.000 0.338 936 Y C -0.038 175.809 175.900 -0.088 0.000 0.965 936 Y CA -0.623 57.521 58.100 0.074 0.000 1.108 936 Y CB 2.199 40.776 38.460 0.194 0.000 1.180 936 Y HN 0.415 nan 8.280 nan 0.000 0.458 937 Q N 2.506 122.345 119.800 0.064 0.000 2.274 937 Q HA 0.693 5.033 4.340 -0.000 0.000 0.260 937 Q C -1.386 174.584 176.000 -0.050 0.000 0.974 937 Q CA -0.970 54.789 55.803 -0.074 0.000 0.876 937 Q CB 3.201 31.862 28.738 -0.128 0.000 1.297 937 Q HN 0.504 nan 8.270 nan 0.000 0.446 938 V N 2.470 122.331 119.914 -0.088 0.000 3.078 938 V HA 0.702 4.822 4.120 -0.000 0.000 0.311 938 V C -1.940 174.234 176.094 0.132 0.000 1.138 938 V CA -0.432 61.853 62.300 -0.026 0.000 1.007 938 V CB 2.469 34.200 31.823 -0.154 0.000 1.045 938 V HN 1.072 nan 8.190 nan 0.000 0.432 939 N N 1.938 120.779 118.700 0.236 0.000 2.935 939 N HA 0.373 5.113 4.740 -0.000 0.000 0.248 939 N C -2.090 173.609 175.510 0.315 0.000 1.276 939 N CA -0.765 52.488 53.050 0.339 0.000 0.906 939 N CB 1.143 39.710 38.487 0.133 0.000 1.564 939 N HN 0.641 nan 8.380 nan 0.000 0.500 940 N N 0.926 119.747 118.700 0.201 0.000 2.399 940 N HA 0.320 5.060 4.740 -0.000 0.000 0.280 940 N C -1.018 174.546 175.510 0.091 0.000 1.008 940 N CA -0.661 52.488 53.050 0.164 0.000 0.894 940 N CB 1.328 39.907 38.487 0.153 0.000 1.273 940 N HN 0.521 nan 8.380 nan 0.000 0.486 941 L N 1.565 122.928 121.223 0.234 0.000 2.688 941 L HA 0.341 4.681 4.340 -0.000 0.000 0.234 941 L C 1.634 178.574 176.870 0.117 0.000 1.192 941 L CA -0.118 54.819 54.840 0.161 0.000 0.984 941 L CB -0.453 41.699 42.059 0.153 0.000 1.232 941 L HN 0.784 nan 8.230 nan 0.000 0.465 942 G N -0.385 108.486 108.800 0.117 0.000 2.447 942 G HA2 0.128 4.088 3.960 -0.000 0.000 0.269 942 G HA3 0.128 4.088 3.960 -0.000 0.000 0.269 942 G C 0.351 175.276 174.900 0.043 0.000 1.455 942 G CA -0.203 44.944 45.100 0.078 0.000 1.061 942 G HN 0.425 nan 8.290 nan 0.000 0.545 943 Q N -0.956 118.868 119.800 0.039 0.000 2.038 943 Q HA 0.268 4.607 4.340 -0.000 0.000 0.240 943 Q C -0.225 175.793 176.000 0.031 0.000 0.831 943 Q CA -0.043 55.786 55.803 0.043 0.000 1.068 943 Q CB 1.419 30.195 28.738 0.064 0.000 1.241 943 Q HN 0.352 nan 8.270 nan 0.000 0.435 944 R N 0.520 121.019 120.500 -0.002 0.000 2.604 944 R HA 0.253 4.593 4.340 -0.000 0.000 0.270 944 R C -1.661 174.593 176.300 -0.077 0.000 1.052 944 R CA -0.821 55.268 56.100 -0.018 0.000 0.902 944 R CB 1.623 31.932 30.300 0.016 0.000 1.233 944 R HN 0.028 nan 8.270 nan 0.000 0.455 945 D N 3.371 123.736 120.400 -0.058 0.000 2.383 945 D HA 0.310 4.950 4.640 -0.000 0.000 0.252 945 D C -0.508 175.732 176.300 -0.100 0.000 1.166 945 D CA 0.186 54.142 54.000 -0.073 0.000 0.879 945 D CB 0.753 41.534 40.800 -0.032 0.000 1.164 945 D HN 0.277 nan 8.370 nan 0.000 0.462 946 L N -0.015 121.120 121.223 -0.147 0.000 2.543 946 L HA 0.585 4.925 4.340 -0.000 0.000 0.265 946 L C -3.042 173.773 176.870 -0.093 0.000 0.945 946 L CA -2.095 52.582 54.840 -0.272 0.000 0.869 946 L CB 1.978 43.502 42.059 -0.891 0.000 1.294 946 L HN -0.030 nan 8.230 nan 0.000 0.405 947 P HA 0.333 nan 4.420 nan 0.000 0.267 947 P C -0.635 176.695 177.300 0.051 0.000 1.200 947 P CA -0.160 62.975 63.100 0.060 0.000 0.772 947 P CB 1.051 32.806 31.700 0.091 0.000 0.855 948 V N -1.437 118.502 119.914 0.043 0.000 3.202 948 V HA 0.855 4.975 4.120 -0.000 0.000 0.306 948 V C -0.969 175.122 176.094 -0.006 0.000 1.283 948 V CA -0.864 61.456 62.300 0.032 0.000 1.065 948 V CB 2.075 33.853 31.823 -0.074 0.000 1.079 948 V HN 0.447 nan 8.190 nan 0.000 0.448 949 S N 0.652 116.341 115.700 -0.019 0.000 2.750 949 S HA 0.641 5.111 4.470 -0.000 0.000 0.276 949 S C -1.026 173.504 174.600 -0.117 0.000 1.165 949 S CA -0.503 57.657 58.200 -0.066 0.000 1.047 949 S CB 0.472 63.643 63.200 -0.048 0.000 1.056 949 S HN 0.752 nan 8.310 nan 0.000 0.481 950 I N 4.933 125.406 120.570 -0.162 0.000 2.301 950 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 950 I C 0.357 176.211 176.117 -0.439 0.000 1.046 950 I CA -0.411 60.728 61.300 -0.268 0.000 1.282 950 I CB 0.756 38.663 38.000 -0.154 0.000 1.409 950 I HN 0.586 nan 8.210 nan 0.000 0.484 951 N N 5.123 123.536 118.700 -0.479 0.000 2.493 951 N HA 0.619 5.359 4.740 -0.000 0.000 0.275 951 N C -1.054 173.946 175.510 -0.848 0.000 1.186 951 N CA -0.172 52.559 53.050 -0.532 0.000 0.978 951 N CB 1.110 39.379 38.487 -0.365 0.000 1.184 951 N HN 0.257 nan 8.380 nan 0.000 0.487 952 F N -0.438 119.207 119.950 -0.507 0.000 2.692 952 F HA 0.543 5.070 4.527 -0.000 0.000 0.320 952 F C -1.266 174.072 175.800 -0.771 0.000 1.123 952 F CA -0.630 57.122 58.000 -0.412 0.000 0.961 952 F CB 1.367 40.276 39.000 -0.151 0.000 1.383 952 F HN 0.418 nan 8.300 nan 0.000 0.483 953 W N 1.294 122.795 121.300 0.335 0.000 2.680 953 W HA 0.640 5.300 4.660 -0.000 0.000 0.305 953 W C -1.930 174.705 176.519 0.193 0.000 1.033 953 W CA -0.594 56.876 57.345 0.208 0.000 1.242 953 W CB 1.365 30.890 29.460 0.108 0.000 1.138 953 W HN 0.143 nan 8.180 nan 0.000 0.358 954 V N 4.463 124.602 119.914 0.375 0.000 2.378 954 V HA 0.446 4.566 4.120 -0.000 0.000 0.288 954 V C -2.004 174.268 176.094 0.297 0.000 1.016 954 V CA -2.309 60.185 62.300 0.324 0.000 0.840 954 V CB 1.816 33.772 31.823 0.222 0.000 0.994 954 V HN 0.099 nan 8.190 nan 0.000 0.431 955 P HA 0.277 nan 4.420 nan 0.000 0.269 955 P C -0.047 177.388 177.300 0.225 0.000 1.209 955 P CA 0.391 63.597 63.100 0.176 0.000 0.776 955 P CB 1.328 33.056 31.700 0.045 0.000 0.876 956 V N 0.595 120.549 119.914 0.067 0.000 5.619 956 V HA 0.119 4.239 4.120 -0.000 0.000 0.099 956 V C 0.094 176.161 176.094 -0.045 0.000 0.898 956 V CA -0.238 62.089 62.300 0.043 0.000 1.288 956 V CB -0.662 31.158 31.823 -0.005 0.000 2.171 956 V HN 0.329 nan 8.190 nan 0.000 0.497 957 E N 2.126 122.301 120.200 -0.041 0.000 2.534 957 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 957 E C -0.769 175.767 176.600 -0.106 0.000 0.981 957 E CA 0.445 56.813 56.400 -0.053 0.000 0.948 957 E CB 0.577 30.255 29.700 -0.038 0.000 0.934 957 E HN 0.390 nan 8.360 nan 0.000 0.459 958 L N 4.221 125.377 121.223 -0.110 0.000 2.492 958 L HA 0.215 4.555 4.340 -0.000 0.000 0.259 958 L C -0.543 176.251 176.870 -0.126 0.000 1.229 958 L CA -0.152 54.584 54.840 -0.175 0.000 0.903 958 L CB 0.041 41.949 42.059 -0.252 0.000 1.114 958 L HN 0.543 nan 8.230 nan 0.000 0.494 959 N N 3.196 121.834 118.700 -0.103 0.000 2.746 959 N HA -0.264 4.476 4.740 -0.000 0.000 0.250 959 N C 0.612 176.124 175.510 0.003 0.000 1.055 959 N CA 1.602 54.628 53.050 -0.040 0.000 0.699 959 N CB -1.046 37.418 38.487 -0.039 0.000 0.919 959 N HN 0.972 nan 8.380 nan 0.000 0.548 960 Q N -2.126 117.674 119.800 0.000 0.000 2.261 960 Q HA -0.340 4.000 4.340 -0.000 0.000 0.155 960 Q C -0.756 175.264 176.000 0.034 0.000 0.598 960 Q CA 2.153 57.967 55.803 0.018 0.000 1.376 960 Q CB -1.013 27.742 28.738 0.029 0.000 1.356 960 Q HN 0.627 nan 8.270 nan 0.000 0.947 961 E N 0.908 121.133 120.200 0.042 0.000 1.996 961 E HA 0.565 4.915 4.350 -0.000 0.000 0.280 961 E C -0.590 176.060 176.600 0.083 0.000 1.092 961 E CA 0.681 57.135 56.400 0.090 0.000 0.862 961 E CB 0.745 30.525 29.700 0.134 0.000 1.066 961 E HN 0.422 nan 8.360 nan 0.000 0.396 962 A N 3.695 126.571 122.820 0.093 0.000 2.531 962 A HA 0.076 4.396 4.320 -0.000 0.000 0.236 962 A C 0.997 178.648 177.584 0.112 0.000 1.062 962 A CA -0.229 51.856 52.037 0.079 0.000 0.760 962 A CB 0.573 19.631 19.000 0.096 0.000 0.995 962 A HN 0.611 nan 8.150 nan 0.000 0.501 963 V N 1.844 121.748 119.914 -0.017 0.000 2.326 963 V HA 0.100 4.220 4.120 -0.000 0.000 0.238 963 V C 0.449 176.710 176.094 0.279 0.000 1.038 963 V CA 1.769 63.929 62.300 -0.234 0.000 1.032 963 V CB -0.337 31.168 31.823 -0.530 0.000 0.675 963 V HN 1.037 nan 8.190 nan 0.000 0.467 964 W N -0.310 120.973 121.300 -0.028 0.000 3.259 964 W HA 0.740 5.400 4.660 -0.000 0.000 0.331 964 W C -1.420 175.119 176.519 0.033 0.000 1.144 964 W CA -2.147 55.224 57.345 0.043 0.000 1.227 964 W CB 0.130 29.625 29.460 0.059 0.000 1.371 964 W HN 0.080 nan 8.180 nan 0.000 0.491 965 M N 3.169 122.827 119.600 0.098 0.000 2.513 965 M HA 0.300 4.780 4.480 -0.000 0.000 0.291 965 M C 0.201 176.444 176.300 -0.094 0.000 1.190 965 M CA -0.444 54.848 55.300 -0.013 0.000 0.960 965 M CB 0.482 33.110 32.600 0.046 0.000 1.517 965 M HN 0.385 nan 8.290 nan 0.000 0.499 966 D N 0.371 120.722 120.400 -0.081 0.000 2.704 966 D HA -0.106 4.533 4.640 -0.000 0.000 0.232 966 D C -1.116 175.096 176.300 -0.146 0.000 1.183 966 D CA 0.420 54.371 54.000 -0.080 0.000 0.647 966 D CB -1.461 39.315 40.800 -0.040 0.000 1.013 966 D HN 0.278 nan 8.370 nan 0.000 0.415 967 V N 0.608 120.386 119.914 -0.227 0.000 2.406 967 V HA 0.283 4.403 4.120 -0.000 0.000 0.272 967 V C 0.827 176.816 176.094 -0.175 0.000 1.043 967 V CA 0.022 62.109 62.300 -0.355 0.000 0.915 967 V CB 1.599 33.016 31.823 -0.676 0.000 0.988 967 V HN 0.092 nan 8.190 nan 0.000 0.466 968 E N 2.591 122.662 120.200 -0.214 0.000 2.423 968 E HA 0.685 5.035 4.350 -0.000 0.000 0.269 968 E C -1.519 174.905 176.600 -0.295 0.000 0.948 968 E CA -0.876 55.426 56.400 -0.163 0.000 0.802 968 E CB 2.863 32.522 29.700 -0.069 0.000 1.339 968 E HN 0.405 nan 8.360 nan 0.000 0.445 969 V N 1.135 120.890 119.914 -0.266 0.000 2.407 969 V HA 0.374 4.494 4.120 -0.000 0.000 0.291 969 V C -0.716 175.304 176.094 -0.123 0.000 1.018 969 V CA -0.236 61.898 62.300 -0.277 0.000 0.842 969 V CB 1.527 33.089 31.823 -0.435 0.000 0.996 969 V HN 0.642 nan 8.190 nan 0.000 0.426 970 S N 4.717 120.392 115.700 -0.042 0.000 2.584 970 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 970 S C -0.348 174.341 174.600 0.149 0.000 1.311 970 S CA -0.111 58.111 58.200 0.037 0.000 1.034 970 S CB 0.389 63.614 63.200 0.042 0.000 0.939 970 S HN 1.016 nan 8.310 nan 0.000 0.513 971 H N 3.840 122.928 119.070 0.030 0.000 2.379 971 H HA 0.505 5.061 4.556 -0.000 0.000 0.229 971 H C -2.794 172.597 175.328 0.103 0.000 1.423 971 H CA -2.003 54.104 56.048 0.100 0.000 1.375 971 H CB 0.082 29.842 29.762 -0.003 0.000 1.592 971 H HN 0.394 nan 8.280 nan 0.000 0.507 972 P HA 0.054 nan 4.420 nan 0.000 0.273 972 P C 0.063 177.272 177.300 -0.151 0.000 1.250 972 P CA 0.036 63.098 63.100 -0.063 0.000 0.793 972 P CB 0.682 32.388 31.700 0.010 0.000 1.011 973 Q N -2.123 117.613 119.800 -0.108 0.000 2.393 973 Q HA -0.201 4.139 4.340 -0.000 0.000 0.235 973 Q C -0.584 175.328 176.000 -0.147 0.000 0.823 973 Q CA 1.379 57.124 55.803 -0.097 0.000 1.284 973 Q CB -2.153 26.548 28.738 -0.062 0.000 1.669 973 Q HN 0.622 nan 8.270 nan 0.000 0.597 974 N N -0.464 118.074 118.700 -0.271 0.000 2.598 974 N HA 0.343 5.083 4.740 -0.000 0.000 0.263 974 N C -2.713 172.669 175.510 -0.213 0.000 1.254 974 N CA -1.090 51.786 53.050 -0.289 0.000 0.863 974 N CB 1.832 40.007 38.487 -0.520 0.000 1.586 974 N HN -0.218 nan 8.380 nan 0.000 0.491 975 P HA -0.028 nan 4.420 nan 0.000 0.270 975 P C -0.146 177.217 177.300 0.104 0.000 1.216 975 P CA 0.036 63.159 63.100 0.039 0.000 0.788 975 P CB 0.185 31.927 31.700 0.070 0.000 0.883 976 S N 0.880 116.625 115.700 0.075 0.000 2.437 976 S HA 0.246 4.716 4.470 -0.000 0.000 0.304 976 S C 0.228 174.880 174.600 0.087 0.000 1.167 976 S CA -0.589 57.662 58.200 0.085 0.000 1.106 976 S CB -0.805 62.419 63.200 0.040 0.000 1.099 976 S HN 0.185 nan 8.310 nan 0.000 0.524 977 L N 3.060 124.351 121.223 0.114 0.000 2.416 977 L HA 0.493 4.833 4.340 -0.000 0.000 0.262 977 L C 0.976 177.827 176.870 -0.031 0.000 1.093 977 L CA -0.237 54.616 54.840 0.022 0.000 0.801 977 L CB 0.608 42.630 42.059 -0.062 0.000 1.191 977 L HN 0.619 nan 8.230 nan 0.000 0.459 978 R N 0.309 120.782 120.500 -0.045 0.000 2.265 978 R HA 0.545 4.884 4.340 -0.000 0.000 0.319 978 R C -1.254 175.003 176.300 -0.072 0.000 1.006 978 R CA -0.471 55.601 56.100 -0.047 0.000 0.880 978 R CB 0.840 31.120 30.300 -0.033 0.000 1.077 978 R HN 0.476 nan 8.270 nan 0.000 0.454 979 c N 1.155 119.720 118.600 -0.059 0.000 2.634 979 c HA 0.506 5.076 4.570 -0.000 0.000 0.313 979 c C 0.478 174.546 174.090 -0.037 0.000 1.198 979 c CA -0.567 55.734 56.329 -0.047 0.000 1.605 979 c CB 2.032 44.530 42.510 -0.020 0.000 2.196 979 c HN 0.824 nan 8.230 nan 0.000 0.486 980 S N 1.171 116.835 115.700 -0.060 0.000 2.690 980 S HA 0.858 5.327 4.470 -0.000 0.000 0.291 980 S C -0.387 174.076 174.600 -0.228 0.000 1.138 980 S CA -0.283 57.846 58.200 -0.118 0.000 1.013 980 S CB 0.942 64.069 63.200 -0.121 0.000 1.053 980 S HN 1.076 nan 8.310 nan 0.000 0.539 981 S N 1.680 117.207 115.700 -0.288 0.000 2.575 981 S HA 0.686 5.155 4.470 -0.000 0.000 0.278 981 S C -1.551 172.847 174.600 -0.337 0.000 1.139 981 S CA -0.851 57.061 58.200 -0.480 0.000 0.954 981 S CB 1.463 64.386 63.200 -0.462 0.000 1.054 981 S HN 0.728 nan 8.310 nan 0.000 0.483 982 E N 1.244 121.227 120.200 -0.361 0.000 2.321 982 E HA 0.339 4.689 4.350 -0.000 0.000 0.281 982 E C -1.371 175.120 176.600 -0.181 0.000 0.910 982 E CA -0.775 55.495 56.400 -0.217 0.000 0.770 982 E CB 2.339 31.943 29.700 -0.161 0.000 1.225 982 E HN 0.583 nan 8.360 nan 0.000 0.417 983 K N 2.587 122.915 120.400 -0.120 0.000 2.098 983 K HA 0.654 4.974 4.320 -0.000 0.000 0.261 983 K C -0.082 176.503 176.600 -0.026 0.000 0.987 983 K CA -0.469 55.775 56.287 -0.072 0.000 0.916 983 K CB 1.047 33.508 32.500 -0.066 0.000 1.039 983 K HN 0.459 nan 8.250 nan 0.000 0.455 984 I N -2.340 118.234 120.570 0.007 0.000 2.913 984 I HA 0.607 4.777 4.170 -0.000 0.000 0.302 984 I C -1.347 174.778 176.117 0.015 0.000 1.246 984 I CA -1.228 60.086 61.300 0.023 0.000 1.010 984 I CB 2.357 40.398 38.000 0.067 0.000 1.259 984 I HN 0.520 nan 8.210 nan 0.000 0.434 985 A N 4.671 127.494 122.820 0.004 0.000 2.271 985 A HA 0.869 5.189 4.320 -0.000 0.000 0.317 985 A C -2.331 175.246 177.584 -0.010 0.000 1.245 985 A CA -1.341 50.692 52.037 -0.007 0.000 0.857 985 A CB -0.143 18.853 19.000 -0.007 0.000 1.175 985 A HN 0.681 nan 8.150 nan 0.000 0.512 986 P HA 0.206 nan 4.420 nan 0.000 0.285 986 P C -1.548 175.737 177.300 -0.025 0.000 1.282 986 P CA -0.795 62.284 63.100 -0.036 0.000 0.778 986 P CB 0.001 31.664 31.700 -0.060 0.000 1.222 987 P HA -0.036 nan 4.420 nan 0.000 0.223 987 P C 0.302 177.604 177.300 0.004 0.000 1.151 987 P CA 1.464 64.557 63.100 -0.013 0.000 0.787 987 P CB -0.300 31.391 31.700 -0.015 0.000 0.788 988 A N -1.471 121.355 122.820 0.010 0.000 3.031 988 A HA -0.141 4.179 4.320 -0.000 0.000 0.244 988 A C 0.817 178.440 177.584 0.065 0.000 1.341 988 A CA 0.549 52.616 52.037 0.050 0.000 0.943 988 A CB -2.705 16.322 19.000 0.045 0.000 1.122 988 A HN 0.316 nan 8.150 nan 0.000 0.760 989 S N 0.216 115.943 115.700 0.044 0.000 2.598 989 S HA 0.290 4.760 4.470 -0.000 0.000 0.256 989 S C 0.388 175.022 174.600 0.057 0.000 1.350 989 S CA 0.349 58.577 58.200 0.046 0.000 0.984 989 S CB 0.223 63.456 63.200 0.054 0.000 0.930 989 S HN 0.658 nan 8.310 nan 0.000 0.577 990 D N 1.169 121.577 120.400 0.012 0.000 2.359 990 D HA 0.015 4.654 4.640 -0.000 0.000 0.273 990 D C 0.819 177.096 176.300 -0.039 0.000 1.362 990 D CA -0.350 53.599 54.000 -0.086 0.000 1.010 990 D CB -0.396 40.356 40.800 -0.079 0.000 1.090 990 D HN 0.446 nan 8.370 nan 0.000 0.521 991 F N 2.927 122.901 119.950 0.041 0.000 2.502 991 F HA 0.019 4.546 4.527 -0.000 0.000 0.298 991 F C 1.752 177.614 175.800 0.102 0.000 1.111 991 F CA -0.148 57.885 58.000 0.055 0.000 1.445 991 F CB -0.729 38.270 39.000 -0.001 0.000 1.081 991 F HN 0.320 nan 8.300 nan 0.000 0.558 992 L N 1.396 122.408 121.223 -0.352 0.000 1.956 992 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 992 L C 2.660 179.554 176.870 0.040 0.000 1.073 992 L CA 2.157 56.920 54.840 -0.127 0.000 0.762 992 L CB -0.845 41.069 42.059 -0.242 0.000 0.889 992 L HN 0.255 nan 8.230 nan 0.000 0.433 993 A N -1.727 121.101 122.820 0.013 0.000 2.014 993 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 993 A C 2.191 179.825 177.584 0.084 0.000 1.163 993 A CA 1.195 53.256 52.037 0.039 0.000 0.652 993 A CB -0.976 18.030 19.000 0.010 0.000 0.808 993 A HN 0.760 nan 8.150 nan 0.000 0.449 994 H N 1.111 120.209 119.070 0.047 0.000 2.267 994 H HA -0.166 4.390 4.556 -0.000 0.000 0.297 994 H C 1.886 177.257 175.328 0.071 0.000 1.080 994 H CA 2.274 58.360 56.048 0.064 0.000 1.278 994 H CB -0.217 29.603 29.762 0.097 0.000 1.365 994 H HN 0.582 nan 8.280 nan 0.000 0.489 995 I N -0.458 120.286 120.570 0.291 0.000 3.564 995 I HA 0.003 4.172 4.170 -0.000 0.000 0.294 995 I C 2.407 178.592 176.117 0.112 0.000 1.289 995 I CA 0.668 62.093 61.300 0.208 0.000 1.325 995 I CB -0.235 37.917 38.000 0.253 0.000 1.039 995 I HN 0.180 nan 8.210 nan 0.000 0.474 996 Q N 1.928 121.782 119.800 0.091 0.000 2.119 996 Q HA -0.176 4.163 4.340 -0.000 0.000 0.201 996 Q C 2.027 178.039 176.000 0.019 0.000 0.972 996 Q CA 1.433 57.269 55.803 0.055 0.000 0.847 996 Q CB 0.084 28.849 28.738 0.046 0.000 0.903 996 Q HN 0.559 nan 8.270 nan 0.000 0.433 997 K N 0.203 120.596 120.400 -0.012 0.000 2.000 997 K HA -0.149 4.171 4.320 -0.000 0.000 0.218 997 K C 0.619 177.204 176.600 -0.025 0.000 1.053 997 K CA 1.208 57.471 56.287 -0.040 0.000 0.946 997 K CB -0.075 32.364 32.500 -0.103 0.000 0.723 997 K HN 0.088 nan 8.250 nan 0.000 0.446 998 N N -0.896 117.790 118.700 -0.023 0.000 2.461 998 N HA 0.175 4.915 4.740 -0.000 0.000 0.284 998 N C -2.506 173.030 175.510 0.043 0.000 1.049 998 N CA -2.065 50.986 53.050 0.001 0.000 0.889 998 N CB 1.855 40.332 38.487 -0.017 0.000 1.365 998 N HN -0.257 nan 8.380 nan 0.000 0.499 999 P HA -0.125 nan 4.420 nan 0.000 0.224 999 P C 0.356 177.710 177.300 0.091 0.000 1.142 999 P CA 0.724 63.867 63.100 0.071 0.000 0.778 999 P CB -0.010 31.718 31.700 0.046 0.000 0.764 1000 V N -2.090 117.870 119.914 0.076 0.000 2.928 1000 V HA -0.037 4.083 4.120 -0.000 0.000 0.307 1000 V C 0.312 176.467 176.094 0.101 0.000 1.105 1000 V CA 0.018 62.366 62.300 0.079 0.000 1.223 1000 V CB -0.044 31.817 31.823 0.064 0.000 0.930 1000 V HN -0.062 nan 8.190 nan 0.000 0.499 1001 L N 4.188 125.453 121.223 0.069 0.000 2.495 1001 L HA 0.469 4.809 4.340 -0.000 0.000 0.248 1001 L C -0.166 176.703 176.870 -0.002 0.000 1.229 1001 L CA -0.538 54.317 54.840 0.026 0.000 0.942 1001 L CB 0.347 42.386 42.059 -0.034 0.000 1.242 1001 L HN 1.060 nan 8.230 nan 0.000 0.484 1002 D N 0.004 120.418 120.400 0.024 0.000 2.393 1002 D HA -0.000 4.640 4.640 -0.000 0.000 0.246 1002 D C 1.085 177.368 176.300 -0.027 0.000 1.275 1002 D CA -0.497 53.508 54.000 0.007 0.000 0.979 1002 D CB 0.653 41.464 40.800 0.018 0.000 1.101 1002 D HN 0.270 nan 8.370 nan 0.000 0.505 1003 c N -0.457 118.128 118.600 -0.025 0.000 2.472 1003 c HA -0.035 4.534 4.570 -0.000 0.000 0.278 1003 c C 2.520 176.569 174.090 -0.069 0.000 1.447 1003 c CA 0.856 57.171 56.329 -0.024 0.000 1.773 1003 c CB -1.725 40.797 42.510 0.020 0.000 1.793 1003 c HN 0.750 nan 8.230 nan 0.000 0.544 1004 S N 0.364 116.009 115.700 -0.092 0.000 2.481 1004 S HA 0.001 4.470 4.470 -0.000 0.000 0.231 1004 S C 1.485 175.984 174.600 -0.169 0.000 0.996 1004 S CA 1.070 59.198 58.200 -0.120 0.000 0.942 1004 S CB -0.303 62.835 63.200 -0.105 0.000 0.768 1004 S HN 0.502 nan 8.310 nan 0.000 0.520 1005 I N 1.324 121.787 120.570 -0.179 0.000 2.899 1005 I HA 0.386 4.556 4.170 -0.000 0.000 0.257 1005 I C 1.358 177.368 176.117 -0.178 0.000 1.115 1005 I CA 0.452 61.634 61.300 -0.197 0.000 1.451 1005 I CB -1.248 36.639 38.000 -0.190 0.000 1.251 1005 I HN 0.365 nan 8.210 nan 0.000 0.456 1006 A N 0.696 123.413 122.820 -0.172 0.000 2.305 1006 A HA 0.620 4.939 4.320 -0.000 0.000 0.322 1006 A C 0.588 178.110 177.584 -0.102 0.000 1.187 1006 A CA -0.193 51.735 52.037 -0.181 0.000 0.825 1006 A CB 0.360 19.211 19.000 -0.248 0.000 1.164 1006 A HN 0.367 nan 8.150 nan 0.000 0.498 1007 G N 1.080 109.828 108.800 -0.086 0.000 2.151 1007 G HA2 0.235 4.194 3.960 -0.000 0.000 0.269 1007 G HA3 0.235 4.194 3.960 -0.000 0.000 0.269 1007 G C 0.454 175.349 174.900 -0.007 0.000 1.069 1007 G CA 0.377 45.454 45.100 -0.039 0.000 1.080 1007 G HN 0.907 nan 8.290 nan 0.000 0.405 1008 c N 2.582 121.206 118.600 0.040 0.000 2.694 1008 c HA 0.777 5.347 4.570 -0.000 0.000 0.324 1008 c C 0.406 174.553 174.090 0.095 0.000 1.813 1008 c CA -0.685 55.709 56.329 0.109 0.000 2.009 1008 c CB 0.458 43.091 42.510 0.204 0.000 1.939 1008 c HN 0.678 nan 8.230 nan 0.000 0.551 1009 L N 2.374 123.679 121.223 0.136 0.000 2.596 1009 L HA 0.423 4.763 4.340 -0.000 0.000 0.265 1009 L C -0.425 176.411 176.870 -0.057 0.000 0.962 1009 L CA -0.283 54.550 54.840 -0.010 0.000 0.891 1009 L CB 0.597 42.634 42.059 -0.037 0.000 1.248 1009 L HN 0.748 nan 8.230 nan 0.000 0.410 1010 R N 3.844 124.197 120.500 -0.244 0.000 2.308 1010 R HA 0.414 4.754 4.340 -0.000 0.000 0.305 1010 R C -1.715 174.280 176.300 -0.508 0.000 1.053 1010 R CA -0.212 55.594 56.100 -0.489 0.000 0.957 1010 R CB 0.669 30.585 30.300 -0.639 0.000 1.022 1010 R HN 0.383 nan 8.270 nan 0.000 0.461 1011 F N 3.709 123.470 119.950 -0.316 0.000 2.402 1011 F HA 0.365 4.892 4.527 -0.000 0.000 0.355 1011 F C 0.677 176.352 175.800 -0.208 0.000 1.123 1011 F CA -0.689 57.209 58.000 -0.169 0.000 1.021 1011 F CB 1.501 40.493 39.000 -0.013 0.000 1.160 1011 F HN 0.361 nan 8.300 nan 0.000 0.451 1012 R N 3.530 123.982 120.500 -0.080 0.000 2.471 1012 R HA 0.447 4.787 4.340 -0.000 0.000 0.292 1012 R C -1.416 174.831 176.300 -0.088 0.000 1.192 1012 R CA -0.250 55.778 56.100 -0.121 0.000 1.257 1012 R CB 0.027 30.244 30.300 -0.139 0.000 1.130 1012 R HN 0.731 nan 8.270 nan 0.000 0.558 1013 c N 4.339 122.880 118.600 -0.099 0.000 2.252 1013 c HA 0.233 4.802 4.570 -0.000 0.000 0.342 1013 c C 0.149 174.153 174.090 -0.143 0.000 1.110 1013 c CA -0.967 55.274 56.329 -0.148 0.000 1.581 1013 c CB -0.751 41.597 42.510 -0.268 0.000 2.087 1013 c HN 0.691 nan 8.230 nan 0.000 0.500 1014 D N 1.273 121.610 120.400 -0.104 0.000 2.361 1014 D HA 0.361 5.001 4.640 -0.000 0.000 0.239 1014 D C -0.180 176.080 176.300 -0.066 0.000 1.200 1014 D CA 0.309 54.267 54.000 -0.071 0.000 0.915 1014 D CB 1.053 41.826 40.800 -0.044 0.000 1.170 1014 D HN 0.261 nan 8.370 nan 0.000 0.444 1015 V N 2.376 122.273 119.914 -0.028 0.000 2.668 1015 V HA 0.134 4.253 4.120 -0.000 0.000 0.304 1015 V C -1.513 174.605 176.094 0.041 0.000 1.071 1015 V CA -1.119 61.185 62.300 0.006 0.000 0.894 1015 V CB 2.261 34.085 31.823 0.002 0.000 1.008 1015 V HN 0.420 nan 8.190 nan 0.000 0.425 1016 P HA -0.051 nan 4.420 nan 0.000 0.213 1016 P C 0.473 177.815 177.300 0.070 0.000 1.170 1016 P CA 1.049 64.183 63.100 0.057 0.000 0.893 1016 P CB 0.461 32.194 31.700 0.056 0.000 0.784 1017 S N -1.561 114.195 115.700 0.093 0.000 2.609 1017 S HA 0.322 4.792 4.470 -0.000 0.000 0.250 1017 S C -1.194 173.494 174.600 0.147 0.000 1.112 1017 S CA -0.688 57.568 58.200 0.093 0.000 1.102 1017 S CB -0.507 62.726 63.200 0.055 0.000 1.124 1017 S HN -0.065 nan 8.310 nan 0.000 0.460 1018 F N 5.585 125.518 119.950 -0.028 0.000 2.678 1018 F HA 0.384 4.910 4.527 -0.000 0.000 0.358 1018 F C 0.904 176.683 175.800 -0.036 0.000 1.256 1018 F CA -0.305 57.678 58.000 -0.027 0.000 1.278 1018 F CB -0.544 38.423 39.000 -0.055 0.000 1.681 1018 F HN 0.569 nan 8.300 nan 0.000 0.661 1019 S N 2.766 118.370 115.700 -0.159 0.000 2.561 1019 S HA 0.086 4.556 4.470 -0.000 0.000 0.294 1019 S C 0.343 174.711 174.600 -0.387 0.000 1.294 1019 S CA -0.625 57.458 58.200 -0.196 0.000 1.055 1019 S CB 0.228 63.371 63.200 -0.095 0.000 0.819 1019 S HN 0.298 nan 8.310 nan 0.000 0.503 1020 V N 6.375 126.143 119.914 -0.243 0.000 2.901 1020 V HA 0.049 4.169 4.120 -0.000 0.000 0.307 1020 V C 1.246 177.217 176.094 -0.204 0.000 1.084 1020 V CA 0.813 62.973 62.300 -0.232 0.000 1.184 1020 V CB 0.252 32.022 31.823 -0.088 0.000 0.941 1020 V HN 1.148 nan 8.190 nan 0.000 0.493 1021 Q N -0.312 119.367 119.800 -0.202 0.000 2.404 1021 Q HA -0.246 4.094 4.340 -0.000 0.000 0.151 1021 Q C 0.617 176.506 176.000 -0.186 0.000 0.589 1021 Q CA 1.758 57.478 55.803 -0.139 0.000 1.298 1021 Q CB -0.989 27.700 28.738 -0.083 0.000 1.175 1021 Q HN 0.905 nan 8.270 nan 0.000 1.025 1022 E N 1.881 121.899 120.200 -0.302 0.000 2.406 1022 E HA -0.014 4.336 4.350 -0.000 0.000 0.258 1022 E C 0.149 176.666 176.600 -0.138 0.000 1.043 1022 E CA 0.206 56.459 56.400 -0.244 0.000 0.929 1022 E CB 0.438 29.948 29.700 -0.316 0.000 0.969 1022 E HN 0.221 nan 8.360 nan 0.000 0.462 1023 E N 5.497 125.675 120.200 -0.037 0.000 2.311 1023 E HA 0.045 4.395 4.350 -0.000 0.000 0.198 1023 E C 0.053 176.707 176.600 0.089 0.000 1.115 1023 E CA -0.326 56.091 56.400 0.027 0.000 1.140 1023 E CB 0.043 29.703 29.700 -0.067 0.000 1.204 1023 E HN 0.632 nan 8.360 nan 0.000 0.446 1024 L N 3.037 124.395 121.223 0.225 0.000 2.841 1024 L HA -0.141 4.199 4.340 -0.000 0.000 0.282 1024 L C -0.513 176.405 176.870 0.081 0.000 1.130 1024 L CA 0.445 55.443 54.840 0.263 0.000 0.996 1024 L CB 0.037 42.372 42.059 0.461 0.000 1.364 1024 L HN 0.213 nan 8.230 nan 0.000 0.466 1025 D N 4.608 125.028 120.400 0.033 0.000 2.490 1025 D HA 0.698 5.337 4.640 -0.000 0.000 0.232 1025 D C -0.720 175.588 176.300 0.013 0.000 1.053 1025 D CA -0.482 53.407 54.000 -0.186 0.000 0.914 1025 D CB 1.686 42.413 40.800 -0.122 0.000 1.431 1025 D HN 0.270 nan 8.370 nan 0.000 0.483 1026 F N -2.425 117.657 119.950 0.221 0.000 2.719 1026 F HA 0.663 5.190 4.527 -0.000 0.000 0.309 1026 F C -0.804 175.092 175.800 0.160 0.000 1.138 1026 F CA -1.025 57.108 58.000 0.221 0.000 0.943 1026 F CB 1.517 40.701 39.000 0.306 0.000 1.304 1026 F HN 0.431 nan 8.300 nan 0.000 0.445 1027 T N 1.337 116.107 114.554 0.360 0.000 2.916 1027 T HA 0.865 5.215 4.350 -0.000 0.000 0.292 1027 T C -1.731 173.010 174.700 0.069 0.000 1.064 1027 T CA -0.684 61.534 62.100 0.197 0.000 1.011 1027 T CB 1.498 70.445 68.868 0.131 0.000 1.152 1027 T HN 1.111 nan 8.240 nan 0.000 0.510 1028 L N 1.246 122.465 121.223 -0.005 0.000 2.408 1028 L HA 0.907 5.247 4.340 -0.000 0.000 0.268 1028 L C -0.830 176.032 176.870 -0.014 0.000 0.986 1028 L CA -0.913 53.845 54.840 -0.137 0.000 0.820 1028 L CB 1.697 43.520 42.059 -0.395 0.000 1.303 1028 L HN 0.808 nan 8.230 nan 0.000 0.411 1029 K N 0.797 121.156 120.400 -0.069 0.000 2.482 1029 K HA 1.021 5.341 4.320 -0.000 0.000 0.257 1029 K C -0.785 175.747 176.600 -0.113 0.000 0.969 1029 K CA -0.816 55.486 56.287 0.025 0.000 0.842 1029 K CB 2.455 34.978 32.500 0.038 0.000 1.359 1029 K HN 1.044 nan 8.250 nan 0.000 0.441 1030 G N 1.009 109.809 108.800 0.001 0.000 2.716 1030 G HA2 0.191 4.151 3.960 -0.000 0.000 0.299 1030 G HA3 0.191 4.151 3.960 -0.000 0.000 0.299 1030 G C -1.697 173.330 174.900 0.211 0.000 1.450 1030 G CA -1.034 44.017 45.100 -0.081 0.000 0.968 1030 G HN 0.489 nan 8.290 nan 0.000 0.566 1031 N N 0.303 119.085 118.700 0.136 0.000 2.365 1031 N HA 0.040 4.779 4.740 -0.000 0.000 0.265 1031 N C -0.108 175.587 175.510 0.310 0.000 1.288 1031 N CA 0.127 53.289 53.050 0.186 0.000 0.869 1031 N CB 1.303 39.865 38.487 0.126 0.000 1.071 1031 N HN 0.525 nan 8.380 nan 0.000 0.480 1032 L N 1.796 123.199 121.223 0.299 0.000 2.255 1032 L HA 0.240 4.580 4.340 -0.000 0.000 0.289 1032 L C 0.424 177.340 176.870 0.076 0.000 1.046 1032 L CA -0.347 54.662 54.840 0.281 0.000 0.816 1032 L CB 0.725 42.841 42.059 0.094 0.000 1.197 1032 L HN 0.409 nan 8.230 nan 0.000 0.427 1033 S N 3.250 119.085 115.700 0.224 0.000 2.576 1033 S HA 0.222 4.692 4.470 -0.000 0.000 0.276 1033 S C 0.650 175.292 174.600 0.070 0.000 1.339 1033 S CA -0.086 58.253 58.200 0.232 0.000 1.039 1033 S CB 0.432 63.825 63.200 0.321 0.000 0.902 1033 S HN 0.563 nan 8.310 nan 0.000 0.516 1034 F N 2.418 122.431 119.950 0.106 0.000 2.749 1034 F HA 0.281 4.808 4.527 -0.000 0.000 0.300 1034 F C 2.242 177.948 175.800 -0.156 0.000 1.103 1034 F CA 0.101 58.061 58.000 -0.067 0.000 1.342 1034 F CB -0.310 38.670 39.000 -0.033 0.000 1.098 1034 F HN 0.759 nan 8.300 nan 0.000 0.586 1035 G N 1.455 110.343 108.800 0.147 0.000 2.433 1035 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 1035 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 1035 G C 1.496 176.430 174.900 0.056 0.000 1.186 1035 G CA 0.793 45.960 45.100 0.111 0.000 0.779 1035 G HN 0.614 nan 8.290 nan 0.000 0.543 1036 W N 1.243 122.587 121.300 0.073 0.000 2.538 1036 W HA 0.019 4.679 4.660 -0.000 0.000 0.254 1036 W C 1.336 177.881 176.519 0.043 0.000 1.249 1036 W CA 0.765 58.136 57.345 0.043 0.000 1.253 1036 W CB -0.990 28.483 29.460 0.021 0.000 1.130 1036 W HN 0.098 nan 8.180 nan 0.000 0.618 1037 V N 1.987 121.396 119.914 -0.841 0.000 2.469 1037 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 1037 V C 2.866 178.784 176.094 -0.293 0.000 1.064 1037 V CA 2.479 64.245 62.300 -0.890 0.000 1.066 1037 V CB -1.055 30.363 31.823 -0.675 0.000 0.667 1037 V HN 0.244 nan 8.190 nan 0.000 0.461 1038 R N -0.027 120.399 120.500 -0.125 0.000 2.161 1038 R HA -0.131 4.209 4.340 -0.000 0.000 0.213 1038 R C 2.309 178.643 176.300 0.056 0.000 1.055 1038 R CA 0.962 57.051 56.100 -0.019 0.000 0.996 1038 R CB -0.111 30.188 30.300 -0.001 0.000 0.901 1038 R HN 0.488 nan 8.270 nan 0.000 0.456 1039 Q N 1.273 121.136 119.800 0.105 0.000 2.248 1039 Q HA -0.168 4.172 4.340 -0.000 0.000 0.208 1039 Q C 1.544 177.673 176.000 0.214 0.000 0.984 1039 Q CA 2.034 57.938 55.803 0.168 0.000 0.875 1039 Q CB -0.122 28.740 28.738 0.207 0.000 0.910 1039 Q HN 0.622 nan 8.270 nan 0.000 0.433 1040 I N -4.810 115.884 120.570 0.207 0.000 4.070 1040 I HA 0.263 4.433 4.170 -0.000 0.000 0.328 1040 I C 0.165 176.382 176.117 0.168 0.000 1.298 1040 I CA -0.306 61.144 61.300 0.250 0.000 1.173 1040 I CB 0.602 38.776 38.000 0.290 0.000 1.051 1040 I HN 0.038 nan 8.210 nan 0.000 0.409 1041 L N 0.963 122.253 121.223 0.111 0.000 3.512 1041 L HA -0.213 4.126 4.340 -0.000 0.000 0.446 1041 L C -0.434 176.483 176.870 0.078 0.000 1.290 1041 L CA 1.123 56.012 54.840 0.082 0.000 0.871 1041 L CB -1.616 40.493 42.059 0.083 0.000 1.767 1041 L HN 0.735 nan 8.230 nan 0.000 0.855 1042 Q N -0.383 119.459 119.800 0.070 0.000 2.831 1042 Q HA 0.683 5.023 4.340 -0.000 0.000 0.322 1042 Q C -0.903 175.127 176.000 0.049 0.000 0.923 1042 Q CA -1.192 54.650 55.803 0.066 0.000 0.767 1042 Q CB 2.020 30.801 28.738 0.071 0.000 1.469 1042 Q HN 0.067 nan 8.270 nan 0.000 0.496 1043 K N 0.704 121.133 120.400 0.047 0.000 2.444 1043 K HA 0.356 4.676 4.320 -0.000 0.000 0.252 1043 K C -0.830 175.766 176.600 -0.008 0.000 0.993 1043 K CA -0.782 55.524 56.287 0.032 0.000 0.847 1043 K CB 1.572 34.132 32.500 0.101 0.000 1.340 1043 K HN 0.674 nan 8.250 nan 0.000 0.446 1044 K N 0.141 120.515 120.400 -0.043 0.000 3.230 1044 K HA -0.156 4.163 4.320 -0.000 0.000 0.285 1044 K C -0.256 176.323 176.600 -0.036 0.000 1.196 1044 K CA 0.229 56.476 56.287 -0.067 0.000 0.838 1044 K CB -0.874 31.588 32.500 -0.063 0.000 1.262 1044 K HN 0.409 nan 8.250 nan 0.000 0.492 1045 V N 1.355 121.258 119.914 -0.019 0.000 3.237 1045 V HA 0.403 4.523 4.120 -0.000 0.000 0.305 1045 V C 0.054 176.174 176.094 0.043 0.000 1.096 1045 V CA 0.850 63.179 62.300 0.048 0.000 1.130 1045 V CB 1.533 33.424 31.823 0.114 0.000 1.048 1045 V HN 0.485 nan 8.190 nan 0.000 0.484 1046 S N 4.222 119.976 115.700 0.091 0.000 2.619 1046 S HA 0.552 5.022 4.470 -0.000 0.000 0.280 1046 S C -0.990 173.665 174.600 0.091 0.000 1.150 1046 S CA -0.625 57.617 58.200 0.069 0.000 0.978 1046 S CB 1.236 64.463 63.200 0.045 0.000 1.041 1046 S HN 1.034 nan 8.310 nan 0.000 0.485 1047 V N 3.596 123.552 119.914 0.070 0.000 2.481 1047 V HA 0.736 4.855 4.120 -0.000 0.000 0.286 1047 V C -0.671 175.432 176.094 0.014 0.000 1.042 1047 V CA -0.310 61.991 62.300 0.002 0.000 0.928 1047 V CB 1.443 33.199 31.823 -0.112 0.000 0.986 1047 V HN 0.905 nan 8.190 nan 0.000 0.462 1048 V N 6.031 125.951 119.914 0.011 0.000 2.628 1048 V HA 0.655 4.775 4.120 -0.000 0.000 0.306 1048 V C -0.023 176.088 176.094 0.030 0.000 1.045 1048 V CA -0.238 62.083 62.300 0.035 0.000 0.905 1048 V CB 2.348 34.199 31.823 0.045 0.000 0.997 1048 V HN 1.042 nan 8.190 nan 0.000 0.436 1049 S N 3.468 119.178 115.700 0.018 0.000 2.473 1049 S HA 0.794 5.264 4.470 -0.000 0.000 0.307 1049 S C -0.948 173.791 174.600 0.232 0.000 1.094 1049 S CA -0.643 57.617 58.200 0.099 0.000 1.070 1049 S CB 1.689 64.853 63.200 -0.060 0.000 1.019 1049 S HN 0.417 nan 8.310 nan 0.000 0.480 1050 V N 2.190 122.281 119.914 0.296 0.000 2.483 1050 V HA 0.836 4.955 4.120 -0.000 0.000 0.295 1050 V C 0.242 176.550 176.094 0.358 0.000 1.035 1050 V CA -0.531 61.943 62.300 0.289 0.000 0.896 1050 V CB 1.293 33.232 31.823 0.194 0.000 0.986 1050 V HN 1.204 nan 8.190 nan 0.000 0.447 1051 A N 3.860 126.722 122.820 0.069 0.000 2.332 1051 A HA 0.744 5.064 4.320 -0.000 0.000 0.300 1051 A C -0.573 176.885 177.584 -0.211 0.000 1.153 1051 A CA -0.516 51.390 52.037 -0.218 0.000 0.764 1051 A CB 1.019 19.509 19.000 -0.850 0.000 1.174 1051 A HN 0.827 nan 8.150 nan 0.000 0.467 1052 E N 3.107 123.207 120.200 -0.166 0.000 2.224 1052 E HA 0.505 4.855 4.350 -0.000 0.000 0.265 1052 E C -1.383 175.108 176.600 -0.182 0.000 0.878 1052 E CA -0.524 55.821 56.400 -0.091 0.000 0.759 1052 E CB 1.500 31.243 29.700 0.072 0.000 1.164 1052 E HN 0.738 nan 8.360 nan 0.000 0.414 1053 I N 3.783 124.268 120.570 -0.141 0.000 2.472 1053 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 1053 I C -0.302 175.786 176.117 -0.049 0.000 1.016 1053 I CA 0.112 61.345 61.300 -0.112 0.000 1.348 1053 I CB 1.091 39.049 38.000 -0.071 0.000 1.417 1053 I HN 0.665 nan 8.210 nan 0.000 0.521 1054 T N 3.487 118.017 114.554 -0.040 0.000 2.887 1054 T HA 0.779 5.129 4.350 -0.000 0.000 0.292 1054 T C -0.767 173.962 174.700 0.049 0.000 1.087 1054 T CA -0.661 61.340 62.100 -0.166 0.000 1.009 1054 T CB 1.850 70.622 68.868 -0.160 0.000 1.203 1054 T HN 0.575 nan 8.240 nan 0.000 0.518 1055 F N -1.716 118.229 119.950 -0.008 0.000 2.770 1055 F HA 0.581 5.108 4.527 -0.000 0.000 0.313 1055 F C -1.032 174.812 175.800 0.074 0.000 1.154 1055 F CA -1.448 56.568 58.000 0.027 0.000 0.923 1055 F CB 0.256 39.270 39.000 0.023 0.000 1.301 1055 F HN 0.574 nan 8.300 nan 0.000 0.449 1056 D N 1.629 122.213 120.400 0.307 0.000 2.402 1056 D HA 0.041 4.681 4.640 -0.000 0.000 0.268 1056 D C 1.453 177.878 176.300 0.208 0.000 1.294 1056 D CA 1.103 55.225 54.000 0.204 0.000 0.945 1056 D CB 1.118 42.048 40.800 0.217 0.000 1.112 1056 D HN 0.793 nan 8.370 nan 0.000 0.517 1057 T N 1.927 116.519 114.554 0.063 0.000 2.760 1057 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 1057 T C 0.943 175.702 174.700 0.098 0.000 1.047 1057 T CA 1.563 63.692 62.100 0.048 0.000 1.139 1057 T CB -0.064 68.797 68.868 -0.012 0.000 0.855 1057 T HN 0.310 nan 8.240 nan 0.000 0.471 1058 S N -1.185 114.564 115.700 0.080 0.000 2.586 1058 S HA 0.478 4.947 4.470 -0.000 0.000 0.274 1058 S C 1.068 175.691 174.600 0.039 0.000 1.281 1058 S CA -0.213 58.018 58.200 0.052 0.000 1.035 1058 S CB 1.007 64.223 63.200 0.027 0.000 0.962 1058 S HN 0.608 nan 8.310 nan 0.000 0.512 1059 V N 2.543 122.447 119.914 -0.016 0.000 0.434 1059 V HA -0.269 3.851 4.120 -0.000 0.000 0.092 1059 V C -0.377 175.612 176.094 -0.175 0.000 2.581 1059 V CA 1.982 64.193 62.300 -0.147 0.000 3.733 1059 V CB -2.288 29.327 31.823 -0.347 0.000 1.002 1059 V HN 0.882 nan 8.190 nan 0.000 1.053 1060 Y N 1.091 121.524 120.300 0.221 0.000 2.509 1060 Y HA 0.782 5.332 4.550 -0.000 0.000 0.341 1060 Y C 0.338 176.401 175.900 0.273 0.000 1.038 1060 Y CA -0.106 58.137 58.100 0.238 0.000 1.089 1060 Y CB 2.092 40.674 38.460 0.203 0.000 1.241 1060 Y HN 0.490 nan 8.280 nan 0.000 0.468 1061 S N 0.289 116.244 115.700 0.425 0.000 2.752 1061 S HA 0.537 5.007 4.470 -0.000 0.000 0.284 1061 S C -1.484 173.307 174.600 0.319 0.000 1.189 1061 S CA -1.260 57.172 58.200 0.386 0.000 0.835 1061 S CB 2.213 65.539 63.200 0.211 0.000 1.192 1061 S HN 0.627 nan 8.310 nan 0.000 0.506 1062 Q N -0.214 119.751 119.800 0.275 0.000 2.266 1062 Q HA 0.551 4.891 4.340 -0.000 0.000 0.261 1062 Q C 0.490 176.562 176.000 0.120 0.000 0.985 1062 Q CA -0.868 55.042 55.803 0.180 0.000 0.873 1062 Q CB 1.375 30.218 28.738 0.174 0.000 1.306 1062 Q HN 0.716 nan 8.270 nan 0.000 0.447 1063 L N 2.356 123.650 121.223 0.118 0.000 2.145 1063 L HA 0.296 4.636 4.340 -0.000 0.000 0.201 1063 L C -0.976 175.930 176.870 0.060 0.000 1.075 1063 L CA 0.480 55.378 54.840 0.097 0.000 0.773 1063 L CB -1.690 40.438 42.059 0.115 0.000 0.936 1063 L HN 0.544 nan 8.230 nan 0.000 0.451 1064 P HA 0.135 nan 4.420 nan 0.000 0.234 1064 P C 0.963 178.266 177.300 0.004 0.000 1.167 1064 P CA 1.551 64.664 63.100 0.022 0.000 0.763 1064 P CB 0.342 32.048 31.700 0.011 0.000 0.835 1065 G N -0.279 108.527 108.800 0.010 0.000 2.261 1065 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.228 1065 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.228 1065 G C -0.929 173.972 174.900 0.002 0.000 2.090 1065 G CA -0.461 44.641 45.100 0.003 0.000 1.588 1065 G HN 0.398 nan 8.290 nan 0.000 0.520 1066 Q N 0.776 120.567 119.800 -0.015 0.000 2.334 1066 Q HA 0.517 4.857 4.340 -0.000 0.000 0.249 1066 Q C -1.803 174.163 176.000 -0.057 0.000 0.909 1066 Q CA -0.291 55.500 55.803 -0.020 0.000 0.823 1066 Q CB 2.490 31.222 28.738 -0.010 0.000 1.353 1066 Q HN 0.525 nan 8.270 nan 0.000 0.433 1067 E N 1.061 121.208 120.200 -0.088 0.000 2.176 1067 E HA 0.496 4.846 4.350 -0.000 0.000 0.267 1067 E C -0.334 176.238 176.600 -0.046 0.000 0.893 1067 E CA -0.494 55.796 56.400 -0.183 0.000 0.761 1067 E CB 1.635 31.074 29.700 -0.434 0.000 1.133 1067 E HN 0.690 nan 8.360 nan 0.000 0.409 1068 A N 3.622 126.487 122.820 0.075 0.000 2.370 1068 A HA 0.092 4.412 4.320 -0.000 0.000 0.238 1068 A C 0.480 178.233 177.584 0.282 0.000 1.289 1068 A CA -0.166 51.956 52.037 0.143 0.000 0.885 1068 A CB -0.296 18.774 19.000 0.117 0.000 0.961 1068 A HN 0.513 nan 8.150 nan 0.000 0.499 1069 F N 0.410 120.337 119.950 -0.038 0.000 2.664 1069 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 1069 F C 1.848 177.619 175.800 -0.048 0.000 1.164 1069 F CA 0.457 58.429 58.000 -0.047 0.000 1.472 1069 F CB -0.623 38.316 39.000 -0.101 0.000 1.108 1069 F HN 0.440 nan 8.300 nan 0.000 0.596 1070 M N -0.664 119.022 119.600 0.144 0.000 2.738 1070 M HA 0.328 4.808 4.480 -0.000 0.000 0.295 1070 M C 0.125 176.442 176.300 0.028 0.000 1.266 1070 M CA 0.259 55.602 55.300 0.071 0.000 0.985 1070 M CB 0.263 32.922 32.600 0.099 0.000 1.365 1070 M HN -0.030 nan 8.290 nan 0.000 0.492 1071 R N 1.281 121.802 120.500 0.036 0.000 3.107 1071 R HA 0.618 4.958 4.340 -0.000 0.000 0.251 1071 R C -1.435 174.883 176.300 0.031 0.000 1.818 1071 R CA -0.004 56.105 56.100 0.016 0.000 1.228 1071 R CB 0.877 31.191 30.300 0.024 0.000 1.459 1071 R HN 0.407 nan 8.270 nan 0.000 0.520 1072 A N 1.994 124.831 122.820 0.029 0.000 2.240 1072 A HA 0.611 4.930 4.320 -0.000 0.000 0.292 1072 A C -0.689 177.013 177.584 0.195 0.000 1.121 1072 A CA -0.353 51.760 52.037 0.126 0.000 0.851 1072 A CB 1.186 20.342 19.000 0.260 0.000 1.167 1072 A HN 0.653 nan 8.150 nan 0.000 0.503 1073 Q N -1.325 118.639 119.800 0.273 0.000 2.426 1073 Q HA 0.534 4.873 4.340 -0.000 0.000 0.278 1073 Q C -1.915 174.165 176.000 0.135 0.000 1.007 1073 Q CA -0.444 55.497 55.803 0.229 0.000 0.850 1073 Q CB 2.219 31.014 28.738 0.095 0.000 1.427 1073 Q HN 0.671 nan 8.270 nan 0.000 0.391 1074 T N 1.912 116.535 114.554 0.115 0.000 2.965 1074 T HA 0.273 4.623 4.350 -0.000 0.000 0.306 1074 T C -1.089 173.609 174.700 -0.002 0.000 0.991 1074 T CA -0.428 61.612 62.100 -0.100 0.000 1.001 1074 T CB 1.475 70.389 68.868 0.076 0.000 0.984 1074 T HN 0.461 nan 8.240 nan 0.000 0.446 1075 T N 3.222 117.688 114.554 -0.146 0.000 2.801 1075 T HA 0.467 4.817 4.350 -0.000 0.000 0.306 1075 T C 0.072 174.949 174.700 0.295 0.000 1.020 1075 T CA -0.178 61.962 62.100 0.066 0.000 0.948 1075 T CB 0.182 69.069 68.868 0.031 0.000 0.962 1075 T HN 0.499 nan 8.240 nan 0.000 0.465 1076 T N 4.082 118.856 114.554 0.367 0.000 2.918 1076 T HA 0.598 4.947 4.350 -0.000 0.000 0.283 1076 T C -0.363 174.383 174.700 0.076 0.000 1.001 1076 T CA -0.512 61.774 62.100 0.309 0.000 1.041 1076 T CB 1.252 70.245 68.868 0.208 0.000 1.028 1076 T HN 0.490 nan 8.240 nan 0.000 0.511 1077 V N 2.987 122.852 119.914 -0.081 0.000 2.604 1077 V HA 0.423 4.543 4.120 -0.000 0.000 0.305 1077 V C -0.559 175.281 176.094 -0.423 0.000 1.043 1077 V CA -0.754 61.438 62.300 -0.180 0.000 0.888 1077 V CB 1.693 33.416 31.823 -0.167 0.000 0.995 1077 V HN 0.615 nan 8.190 nan 0.000 0.429 1078 L N 3.455 124.498 121.223 -0.301 0.000 3.030 1078 L HA 0.365 4.704 4.340 -0.000 0.000 0.252 1078 L C 0.596 177.312 176.870 -0.256 0.000 1.316 1078 L CA 0.408 55.031 54.840 -0.361 0.000 0.975 1078 L CB 0.441 42.367 42.059 -0.223 0.000 1.357 1078 L HN 0.751 nan 8.230 nan 0.000 0.534 1079 E N 2.436 122.466 120.200 -0.283 0.000 2.104 1079 E HA 0.181 4.530 4.350 -0.000 0.000 0.278 1079 E C -0.682 175.795 176.600 -0.205 0.000 1.127 1079 E CA -0.096 56.175 56.400 -0.215 0.000 0.897 1079 E CB 0.382 29.932 29.700 -0.248 0.000 1.043 1079 E HN 0.143 nan 8.360 nan 0.000 0.410 1080 K N 4.856 125.211 120.400 -0.075 0.000 2.637 1080 K HA 0.156 4.476 4.320 -0.000 0.000 0.248 1080 K C -1.490 175.184 176.600 0.124 0.000 0.971 1080 K CA -0.705 55.582 56.287 0.000 0.000 0.858 1080 K CB 1.234 33.764 32.500 0.051 0.000 1.170 1080 K HN 0.457 nan 8.250 nan 0.000 0.443 1081 Y N 2.315 122.649 120.300 0.057 0.000 2.612 1081 Y HA 0.368 4.918 4.550 -0.000 0.000 0.334 1081 Y C 0.367 176.324 175.900 0.095 0.000 1.227 1081 Y CA -0.045 58.121 58.100 0.110 0.000 1.356 1081 Y CB 0.822 39.423 38.460 0.235 0.000 1.534 1081 Y HN 0.546 nan 8.280 nan 0.000 0.576 1082 K N 0.000 120.025 120.400 -0.625 0.000 2.780 1082 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1082 K CA 0.000 56.033 56.287 -0.424 0.000 0.838 1082 K CB 0.000 32.420 32.500 -0.133 0.000 1.064 1082 K HN 0.000 nan 8.250 nan 0.000 0.543